#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rt1 n ILE 2 N 0.00 0.00 -3.56 4.25 5.41 -1.26 -4.94 119.36 119.26 1rt1 n ILE 2 Ca 0.00 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.60 1rt1 n ILE 2 Cb 0.00 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 38.87 1rt1 n ILE 2 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1rt1 s SER 3 N -1.00 -0.62 -0.67 4.38 0.01 -1.25 -4.50 113.70 110.05 1rt1 s SER 3 Ca 0.00 0.86 -0.03 0.00 1.31 0.00 0.00 55.95 58.09 1rt1 s SER 3 Cb 0.00 0.75 0.21 0.00 0.21 0.00 0.00 66.02 67.19 1rt1 s SER 3 CO 0.00 -0.45 2.39 -0.81 0.41 0.00 0.00 173.24 174.78 1rt1 n PRO 4 N 1.41 2.67 -4.49 12.44 -0.04 -1.26 -4.82 135.00 140.90 1rt1 n PRO 4 Ca -0.16 -2.98 -0.34 0.00 -0.04 0.00 0.00 63.50 59.98 1rt1 n PRO 4 Cb 0.57 -2.22 -0.12 0.00 -0.04 0.00 0.00 33.50 31.69 1rt1 n PRO 4 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1rt1 s ILE 5 N -3.65 3.83 0.31 0.52 1.01 -1.26 -5.09 121.20 116.87 1rt1 s ILE 5 Ca 0.55 -0.40 -0.29 0.00 0.00 0.00 0.00 60.65 60.51 1rt1 s ILE 5 Cb 0.40 -2.63 -0.10 0.00 0.01 0.00 0.00 42.46 40.14 1rt1 s ILE 5 CO -0.32 0.54 1.35 -0.70 0.00 0.00 0.00 174.94 175.81 1rt1 s GLU 6 N -0.12 4.32 0.75 2.79 2.56 -1.26 -4.73 118.70 123.01 1rt1 s GLU 6 Ca 0.02 2.25 -0.11 0.00 0.00 0.00 0.00 54.97 57.13 1rt1 s GLU 6 Cb -0.13 -3.08 0.04 0.00 2.00 0.00 0.00 34.13 32.96 1rt1 s GLU 6 CO 0.03 -0.27 1.09 0.95 -0.56 0.00 0.00 175.26 176.49 1rt1 s THR 7 N -0.79 3.44 -0.15 -1.70 -4.23 -1.26 -4.96 115.64 105.99 1rt1 s THR 7 Ca 0.52 0.47 -0.06 0.00 -1.18 0.00 0.00 61.69 61.44 1rt1 s THR 7 Cb -0.40 -3.28 -0.04 0.00 1.34 0.00 0.00 72.50 70.12 1rt1 s THR 7 CO 0.50 -0.61 0.04 -0.69 -0.54 0.00 0.00 174.62 173.32 1rt1 s VAL 8 N -3.18 4.62 -0.41 2.29 1.01 -1.26 -5.00 120.40 118.47 1rt1 s VAL 8 Ca 0.59 -0.10 -0.28 0.00 0.00 0.00 0.00 61.98 62.19 1rt1 s VAL 8 Cb -0.13 -3.04 -0.02 0.00 0.00 0.00 0.00 36.38 33.19 1rt1 s VAL 8 CO 0.54 0.51 1.78 -2.16 0.00 0.00 0.00 175.10 175.77 1rt1 s PRO 9 N -0.05 3.18 -0.03 2.72 0.04 -1.26 -4.23 135.00 135.37 1rt1 s PRO 9 Ca 0.05 1.18 0.01 0.00 0.04 0.00 0.00 61.00 62.28 1rt1 s PRO 9 Cb -0.12 -4.23 -0.03 0.00 0.04 0.00 0.00 34.50 30.16 1rt1 s PRO 9 CO 0.01 -2.05 -0.04 0.08 0.04 0.00 0.00 177.00 175.04 1rt1 s VAL 10 N 7.30 3.87 0.23 -0.36 1.01 -1.26 -5.12 120.40 126.08 1rt1 s VAL 10 Ca 0.75 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 62.18 1rt1 s VAL 10 Cb -0.19 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 1rt1 s VAL 10 CO 0.30 0.49 0.07 -0.54 0.00 0.00 0.00 175.10 175.42 1rt1 s LYS 11 N -1.16 1.32 0.36 2.72 1.02 -1.26 -4.59 119.74 118.15 1rt1 s LYS 11 Ca 0.15 -1.69 -0.05 0.00 0.02 0.00 0.00 55.97 54.40 1rt1 s LYS 11 Cb -0.11 -0.26 -0.05 0.00 -0.52 0.00 0.00 37.83 36.89 1rt1 s LYS 11 CO 0.05 -0.25 0.64 -0.51 -0.92 0.00 0.00 175.35 174.37 1rt1 s LEU 12 N -3.27 3.92 0.99 3.17 1.43 -1.26 -1.46 118.68 122.21 1rt1 s LEU 12 Ca 0.34 0.81 -0.13 0.00 -1.03 0.00 0.00 54.13 54.11 1rt1 s LEU 12 Cb 0.07 -3.67 0.10 0.00 0.03 0.00 0.00 46.19 42.72 1rt1 s LEU 12 CO 0.11 -0.33 0.58 0.29 0.23 0.00 0.00 176.35 177.22 1rt1 n LYS 13 N -1.40 -0.76 -0.58 1.70 5.02 0.26 -4.56 118.16 117.83 1rt1 n LYS 13 Ca -0.01 -0.18 -0.19 0.00 -2.02 0.00 0.00 58.31 55.91 1rt1 n LYS 13 Cb 0.54 -1.99 -0.06 0.00 -0.02 0.00 0.00 35.03 33.51 1rt1 n LYS 13 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1rt1 n PRO 14 N -2.69 0.00 -2.07 1.97 -0.02 -1.26 -1.51 135.00 129.41 1rt1 n PRO 14 Ca 0.07 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.50 1rt1 n PRO 14 Cb 0.55 -0.61 -0.01 0.00 -0.02 0.00 0.00 33.50 33.41 1rt1 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rt1 n GLY 15 N 2.78 -0.22 0.00 -1.23 0.00 -1.26 -4.94 105.19 100.32 1rt1 n GLY 15 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1rt1 n GLY 15 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1rt1 n MET 16 N -2.22 0.25 -4.14 1.61 2.81 -0.57 -5.10 117.12 109.76 1rt1 n MET 16 Ca -0.05 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.73 1rt1 n MET 16 Cb 0.42 0.00 -0.10 0.00 -0.71 0.00 0.00 33.22 32.83 1rt1 n MET 16 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1rt1 s ASP 17 N -1.03 1.02 0.73 7.83 2.15 -1.26 -4.97 116.67 121.14 1rt1 s ASP 17 Ca 0.00 -0.89 -0.12 0.00 0.43 0.00 0.00 52.55 51.97 1rt1 s ASP 17 Cb 0.00 0.09 0.04 0.00 -0.30 0.00 0.00 42.92 42.74 1rt1 s ASP 17 CO 0.00 -0.41 1.10 -0.83 -0.17 0.00 0.00 175.17 174.86 1rt1 s GLY 18 N -2.68 1.84 0.78 2.66 0.00 -1.26 -4.96 107.32 103.71 1rt1 s GLY 18 Ca 0.06 0.36 -0.14 0.00 0.00 0.00 0.00 44.72 45.00 1rt1 s GLY 18 CO -0.04 0.71 1.19 -1.55 0.00 0.00 0.00 173.10 173.41 1rt1 n PRO 19 N -3.12 0.32 -2.73 2.90 -0.04 -1.26 -4.90 135.00 126.17 1rt1 n PRO 19 Ca 0.09 0.18 -0.05 0.00 -0.04 0.00 0.00 63.50 63.69 1rt1 n PRO 19 Cb 0.53 -2.43 0.06 0.00 -0.04 0.00 0.00 33.50 31.61 1rt1 n PRO 19 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1rt1 n LYS 20 N -2.99 1.37 -2.95 0.54 5.02 -1.24 -1.83 118.16 116.09 1rt1 n LYS 20 Ca 0.14 -2.98 -0.38 0.00 -2.02 0.00 0.00 58.31 53.07 1rt1 n LYS 20 Cb 0.50 -1.07 -0.06 0.00 -0.02 0.00 0.00 35.03 34.38 1rt1 n LYS 20 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1rt1 s VAL 21 N -2.65 4.35 0.43 -0.18 0.11 -1.04 -4.88 120.40 116.54 1rt1 s VAL 21 Ca 0.25 1.67 -0.23 0.00 -2.93 0.00 0.00 61.98 60.74 1rt1 s VAL 21 Cb 0.40 -4.08 -0.09 0.00 -1.53 0.00 0.00 36.38 31.09 1rt1 s VAL 21 CO -0.02 0.39 1.06 -1.59 -3.33 0.00 0.00 175.10 171.61 1rt1 s LYS 22 N -1.47 3.99 -0.36 1.54 -2.85 -1.26 -4.18 119.74 115.15 1rt1 s LYS 22 Ca 0.40 1.49 -0.29 0.00 -1.00 0.00 0.00 55.97 56.58 1rt1 s LYS 22 Cb -0.21 -2.38 -0.00 0.00 -2.06 0.00 0.00 37.83 33.18 1rt1 s LYS 22 CO 0.25 -0.29 1.54 -1.14 0.10 0.00 0.00 175.35 175.82 1rt1 s GLN 23 N -2.76 3.55 0.37 1.78 2.00 -1.26 -4.65 119.66 118.69 1rt1 s GLN 23 Ca 0.62 1.17 -0.24 0.00 -2.00 0.00 0.00 55.36 54.91 1rt1 s GLN 23 Cb -0.21 -4.07 -0.13 0.00 0.80 0.00 0.00 33.01 29.40 1rt1 s GLN 23 CO 0.26 -1.59 0.65 1.87 -0.50 0.00 0.00 175.29 175.98 1rt1 n TRP 24 N 9.13 -0.08 -2.84 1.67 -0.00 -1.26 -4.93 117.44 119.13 1rt1 n TRP 24 Ca 0.18 0.66 -0.37 0.00 -0.00 0.00 0.00 57.50 57.98 1rt1 n TRP 24 Cb 0.47 -2.05 -0.06 0.00 -0.00 0.00 0.00 31.31 29.67 1rt1 n TRP 24 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 1rt1 s PRO 25 N -1.54 4.51 0.17 5.87 0.04 -1.26 -4.84 135.00 137.96 1rt1 s PRO 25 Ca 0.62 1.24 0.02 0.00 0.04 0.00 0.00 61.00 62.92 1rt1 s PRO 25 Cb -0.65 -2.79 -0.05 0.00 0.04 0.00 0.00 34.50 31.05 1rt1 s PRO 25 CO 0.58 0.29 0.01 -0.51 0.04 0.00 0.00 177.00 177.41 1rt1 s LEU 26 N -2.08 2.09 0.72 -3.56 1.43 -1.26 -5.14 118.68 110.89 1rt1 s LEU 26 Ca 0.49 -1.18 -0.08 0.00 -1.03 0.00 0.00 54.13 52.33 1rt1 s LEU 26 Cb -0.18 -0.05 0.06 0.00 0.03 0.00 0.00 46.19 46.05 1rt1 s LEU 26 CO 0.23 -0.58 1.05 0.42 0.23 0.00 0.00 176.35 177.71 1rt1 s THR 27 N -3.67 2.38 0.46 5.49 -4.23 -1.26 -4.36 115.64 110.45 1rt1 s THR 27 Ca 0.24 -0.13 0.13 0.00 -1.18 0.00 0.00 61.69 60.75 1rt1 s THR 27 Cb 0.06 -3.06 0.30 0.00 1.34 0.00 0.00 72.50 71.13 1rt1 s THR 27 CO 0.04 -0.07 2.05 1.05 -0.54 0.00 0.00 174.62 177.15 1rt1 h GLU 28 N -0.69 0.31 0.05 3.99 4.11 -1.98 -0.44 114.58 119.93 1rt1 h GLU 28 Ca -0.45 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 58.96 1rt1 h GLU 28 Cb 1.31 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1rt1 h GLU 28 CO 0.62 0.21 -0.02 1.49 0.07 0.00 0.00 179.01 181.37 1rt1 h GLU 29 N 0.32 -0.06 -1.07 1.06 4.81 -1.99 -0.74 114.58 116.91 1rt1 h GLU 29 Ca 0.16 0.00 0.29 0.00 -0.13 0.00 0.00 59.36 59.68 1rt1 h GLU 29 Cb 0.23 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.54 1rt1 h GLU 29 CO -0.03 -0.04 0.70 0.87 -0.73 0.00 0.00 179.01 179.78 1rt1 h LYS 30 N -0.09 0.30 -0.17 1.92 1.57 -1.91 0.48 116.57 118.67 1rt1 h LYS 30 Ca -0.01 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1rt1 h LYS 30 Cb 0.05 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 1rt1 h LYS 30 CO 0.01 0.20 -0.08 0.82 -0.57 0.00 0.00 179.45 179.83 1rt1 h ILE 31 N 0.31 1.31 0.00 1.86 2.04 -1.09 -2.74 117.51 119.20 1rt1 h ILE 31 Ca 0.60 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 1rt1 h ILE 31 Cb 1.68 1.68 -0.00 0.00 -0.74 0.00 0.00 36.82 39.44 1rt1 h ILE 31 CO -0.26 0.33 -0.03 0.50 0.00 0.00 0.00 178.15 178.69 1rt1 h LYS 32 N 0.04 0.00 -0.02 2.37 1.63 0.66 0.25 116.57 121.51 1rt1 h LYS 32 Ca 0.04 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.82 1rt1 h LYS 32 Cb 0.55 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.18 1rt1 h LYS 32 CO 0.02 0.03 -0.06 0.00 -3.45 0.00 0.00 179.45 176.00 1rt1 h ALA 33 N 1.97 0.04 -1.01 5.00 0.00 -1.40 -2.40 119.26 121.45 1rt1 h ALA 33 Ca -0.00 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.61 1rt1 h ALA 33 Cb 0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1rt1 h ALA 33 CO 0.00 -0.12 0.66 -0.07 0.00 0.00 0.00 179.25 179.73 1rt1 h LEU 34 N -0.49 1.13 -0.76 0.00 3.38 -1.05 -0.09 115.31 117.42 1rt1 h LEU 34 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1rt1 h LEU 34 Cb 0.66 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1rt1 h LEU 34 CO 0.01 0.79 0.48 0.58 0.09 0.00 0.00 178.44 180.39 1rt1 h VAL 35 N 1.32 1.21 0.68 1.22 2.07 -0.52 -0.50 116.25 121.73 1rt1 h VAL 35 Ca 0.38 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 1rt1 h VAL 35 Cb -0.08 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 1rt1 h VAL 35 CO -0.10 0.21 -0.36 -0.08 0.02 0.00 0.00 177.57 177.26 1rt1 h GLU 36 N 1.04 -0.92 -1.00 1.57 4.57 -0.70 -2.14 114.58 116.99 1rt1 h GLU 36 Ca 0.28 0.06 0.23 0.00 -1.18 0.00 0.00 59.36 58.75 1rt1 h GLU 36 Cb -0.07 0.21 -0.10 0.00 -0.16 0.00 0.00 28.75 28.64 1rt1 h GLU 36 CO -0.05 -0.62 0.63 0.82 -1.18 0.00 0.00 179.01 178.61 1rt1 h ILE 37 N -0.96 0.60 0.00 2.32 2.04 -0.94 -0.65 117.51 119.92 1rt1 h ILE 37 Ca -0.09 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1rt1 h ILE 37 Cb 0.75 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1rt1 h ILE 37 CO 0.13 0.09 -0.04 0.00 0.00 0.00 0.00 178.15 178.33 1rt1 h THR 39 N 0.00 1.49 0.60 0.00 2.02 -0.45 -2.38 112.91 114.19 1rt1 h THR 39 Ca 0.00 -3.17 -0.03 0.00 0.77 0.00 0.00 66.41 63.98 1rt1 h THR 39 Cb 0.83 2.82 0.01 0.00 -1.74 0.00 0.00 68.15 70.07 1rt1 h THR 39 CO 0.00 0.88 -0.29 -0.08 0.37 0.00 0.00 175.52 176.41 1rt1 h GLU 40 N 0.03 -0.77 -0.69 6.66 4.57 -1.31 -2.85 114.58 120.22 1rt1 h GLU 40 Ca -0.10 0.05 0.11 0.00 -1.18 0.00 0.00 59.36 58.24 1rt1 h GLU 40 Cb 1.88 0.18 -0.05 0.00 -0.16 0.00 0.00 28.75 30.60 1rt1 h GLU 40 CO 0.15 -0.51 0.46 0.52 -1.18 0.00 0.00 179.01 178.45 1rt1 h MET 41 N -1.09 0.48 -0.08 1.92 2.86 -1.45 0.37 114.93 117.95 1rt1 h MET 41 Ca -0.08 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1rt1 h MET 41 Cb 0.61 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 1rt1 h MET 41 CO 0.13 0.32 0.06 1.49 1.06 0.00 0.00 176.91 179.98 1rt1 h GLU 42 N 0.50 0.00 0.00 1.72 4.81 -1.37 -1.90 114.58 118.34 1rt1 h GLU 42 Ca 0.33 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 59.24 1rt1 h GLU 42 Cb 0.60 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.92 1rt1 h GLU 42 CO -0.11 0.00 -2.14 1.63 -0.73 0.00 0.00 179.01 177.66 1rt1 n LYS 43 N -4.49 0.67 0.30 1.92 4.76 0.96 -3.88 118.16 118.41 1rt1 n LYS 43 Ca -0.01 0.07 0.17 0.00 -2.87 0.00 0.00 58.31 55.67 1rt1 n LYS 43 Cb 0.17 -1.61 0.96 0.00 -1.84 0.00 0.00 35.03 32.71 1rt1 n LYS 43 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1rt1 h GLU 44 N 0.00 0.00 0.00 1.97 5.08 -0.30 -3.38 114.58 117.95 1rt1 h GLU 44 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1rt1 h GLU 44 Cb 2.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.33 1rt1 h GLU 44 CO 0.04 0.03 0.00 0.41 -1.00 0.00 0.00 179.01 178.49 1rt1 n GLY 45 N -0.97 0.42 0.26 -3.84 0.00 -0.76 0.63 105.19 100.92 1rt1 n GLY 45 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.01 1rt1 n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rt1 h LYS 46 N 3.70 0.41 -4.84 1.61 1.57 -1.73 -3.43 116.57 113.86 1rt1 h LYS 46 Ca 0.00 -0.09 -0.38 0.00 -1.87 0.00 0.00 60.65 58.31 1rt1 h LYS 46 Cb 0.00 -0.06 -0.14 0.00 0.08 0.00 0.00 32.23 32.11 1rt1 h LYS 46 CO 0.00 0.47 -0.57 0.96 -0.57 0.00 0.00 179.45 179.74 1rt1 s ILE 47 N -4.90 0.30 -0.15 1.86 -4.36 -1.22 -0.07 121.20 112.68 1rt1 s ILE 47 Ca -0.07 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.22 1rt1 s ILE 47 Cb 0.15 -2.53 0.05 0.00 1.25 0.00 0.00 42.46 41.38 1rt1 s ILE 47 CO 0.75 0.00 0.38 -0.44 0.24 0.00 0.00 174.94 175.87 1rt1 s SER 48 N -3.33 -0.43 0.18 4.36 0.01 0.57 -4.43 113.70 110.62 1rt1 s SER 48 Ca 0.37 0.79 -0.32 0.00 1.31 0.00 0.00 55.95 58.10 1rt1 s SER 48 Cb 0.06 0.73 -0.11 0.00 0.21 0.00 0.00 66.02 66.91 1rt1 s SER 48 CO 0.17 -0.16 1.72 -0.75 0.41 0.00 0.00 173.24 174.62 1rt1 s LYS 49 N 0.83 4.15 0.00 12.44 2.20 -1.26 -1.89 119.74 136.20 1rt1 s LYS 49 Ca -0.05 2.55 0.00 0.00 -0.36 0.00 0.00 55.97 58.11 1rt1 s LYS 49 Cb -0.06 -3.21 0.00 0.00 -1.51 0.00 0.00 37.83 33.05 1rt1 s LYS 49 CO -0.06 -0.75 0.00 0.44 -0.36 0.00 0.00 175.35 174.62 1rt1 n ILE 50 N 4.17 0.00 -2.39 5.43 -5.35 -0.94 -4.94 119.36 115.34 1rt1 n ILE 50 Ca 0.16 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.64 1rt1 n ILE 50 Cb 0.37 -0.17 0.00 0.00 -1.74 0.00 0.00 39.64 38.10 1rt1 n ILE 50 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1rt1 n GLY 51 N 5.00 4.30 0.18 3.28 0.00 -1.26 -4.76 105.19 111.93 1rt1 n GLY 51 Ca 0.00 -1.08 0.10 0.00 0.00 0.00 0.00 46.02 45.03 1rt1 n GLY 51 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1rt1 h PRO 52 N 0.00 0.00 -3.99 1.61 0.11 -2.02 -3.32 132.00 124.39 1rt1 h PRO 52 Ca 0.00 0.00 -0.75 0.00 0.11 0.00 0.00 66.00 65.36 1rt1 h PRO 52 Cb 0.00 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 30.95 1rt1 h PRO 52 CO 0.00 0.00 1.76 -1.91 -0.21 0.00 0.00 178.00 177.64 1rt1 n GLU 53 N -2.22 3.53 0.00 1.05 4.07 -1.26 -4.73 120.64 121.07 1rt1 n GLU 53 Ca -0.01 -3.66 0.00 0.00 -0.06 0.00 0.00 57.16 53.43 1rt1 n GLU 53 Cb 0.19 -2.97 0.00 0.00 -0.06 0.00 0.00 31.44 28.60 1rt1 n GLU 53 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1rt1 n ASN 54 N 4.56 0.00 0.02 4.31 2.85 -1.25 -5.04 115.26 120.71 1rt1 n ASN 54 Ca 0.39 0.00 0.13 0.00 -0.11 0.00 0.00 54.58 54.99 1rt1 n ASN 54 Cb 0.39 0.00 0.46 0.00 1.24 0.00 0.00 39.78 41.87 1rt1 n ASN 54 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1rt1 n PRO 55 N 0.00 0.07 -1.51 1.20 -0.04 -1.26 -4.92 135.00 128.54 1rt1 n PRO 55 Ca 0.00 0.04 -0.31 0.00 -0.04 0.00 0.00 63.50 63.19 1rt1 n PRO 55 Cb 0.00 -1.57 0.06 0.00 -0.04 0.00 0.00 33.50 31.95 1rt1 n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1rt1 s TYR 56 N -3.03 2.92 -0.28 0.54 2.02 -1.26 -4.71 117.35 113.54 1rt1 s TYR 56 Ca 0.12 1.47 -0.27 0.00 -0.37 0.00 0.00 57.07 58.02 1rt1 s TYR 56 Cb 0.17 -2.95 0.18 0.00 -0.40 0.00 0.00 41.96 38.96 1rt1 s TYR 56 CO 0.60 -1.42 1.33 1.21 -1.57 0.00 0.00 175.55 175.70 1rt1 s ASN 57 N -3.55 -0.10 0.04 2.29 3.84 -0.76 -4.72 114.94 111.97 1rt1 s ASN 57 Ca 0.60 0.15 0.03 0.00 0.21 0.00 0.00 52.86 53.85 1rt1 s ASN 57 Cb -0.15 0.13 -0.02 0.00 -0.55 0.00 0.00 41.25 40.66 1rt1 s ASN 57 CO 0.54 -0.07 -0.09 -0.89 -2.79 0.00 0.00 177.10 173.80 1rt1 s THR 58 N -0.57 0.70 -0.11 -5.21 2.01 0.64 -2.51 115.64 110.59 1rt1 s THR 58 Ca 0.07 -0.96 -0.30 0.00 0.31 0.00 0.00 61.69 60.81 1rt1 s THR 58 Cb -0.03 -0.70 -0.02 0.00 0.01 0.00 0.00 72.50 71.76 1rt1 s THR 58 CO -0.10 -0.21 1.15 -2.16 -0.69 0.00 0.00 174.62 172.61 1rt1 s PRO 59 N -1.30 4.33 -0.09 4.92 0.04 -1.26 -3.93 135.00 137.72 1rt1 s PRO 59 Ca -0.05 1.56 -0.11 0.00 0.04 0.00 0.00 61.00 62.44 1rt1 s PRO 59 Cb -0.08 -3.61 -0.05 0.00 0.04 0.00 0.00 34.50 30.80 1rt1 s PRO 59 CO 0.01 -0.49 0.27 0.54 0.04 0.00 0.00 177.00 177.36 1rt1 s VAL 60 N 2.56 5.29 0.21 -0.36 0.11 -1.26 -1.26 120.40 125.68 1rt1 s VAL 60 Ca 0.52 0.50 0.08 0.00 -2.93 0.00 0.00 61.98 60.16 1rt1 s VAL 60 Cb -0.21 -3.56 -0.05 0.00 -1.53 0.00 0.00 36.38 31.03 1rt1 s VAL 60 CO 0.17 0.55 -0.16 -0.36 -3.33 0.00 0.00 175.10 171.97 1rt1 s PHE 61 N -0.67 1.80 -0.23 1.54 0.08 0.29 -4.83 117.98 115.96 1rt1 s PHE 61 Ca 0.18 -0.52 0.01 0.00 0.12 0.00 0.00 56.93 56.72 1rt1 s PHE 61 Cb -0.14 -0.84 0.04 0.00 -0.57 0.00 0.00 43.02 41.51 1rt1 s PHE 61 CO 0.07 0.40 -0.13 0.00 -0.10 0.00 0.00 175.22 175.45 1rt1 s ALA 62 N -2.71 2.51 0.11 5.36 0.00 -1.26 -0.18 121.76 125.57 1rt1 s ALA 62 Ca 0.22 -1.51 0.08 0.00 0.00 0.00 0.00 51.96 50.74 1rt1 s ALA 62 Cb -0.02 -1.46 -0.04 0.00 0.00 0.00 0.00 23.12 21.60 1rt1 s ALA 62 CO 0.08 -0.82 -0.20 0.96 0.00 0.00 0.00 175.76 175.78 1rt1 s ILE 63 N 1.21 1.64 -0.17 0.00 -5.25 -1.26 -4.98 121.20 112.40 1rt1 s ILE 63 Ca -0.02 -1.56 -0.02 0.00 -0.99 0.00 0.00 60.65 58.06 1rt1 s ILE 63 Cb -0.17 -1.53 -0.01 0.00 2.95 0.00 0.00 42.46 43.70 1rt1 s ILE 63 CO -0.08 -0.12 -0.09 -1.59 -1.79 0.00 0.00 174.94 171.28 1rt1 s LYS 64 N -2.00 3.41 0.00 0.37 0.00 -1.26 -0.69 119.74 119.56 1rt1 s LYS 64 Ca 0.06 -0.64 0.00 0.00 0.00 0.00 0.00 55.97 55.39 1rt1 s LYS 64 Cb -0.09 -2.81 0.00 0.00 0.00 0.00 0.00 37.83 34.92 1rt1 s LYS 64 CO 0.04 0.05 0.00 1.17 0.00 0.00 0.00 175.35 176.61 1rt1 n LYS 65 N 4.05 2.02 -0.12 1.78 4.81 -1.24 -4.97 118.16 124.49 1rt1 n LYS 65 Ca -0.18 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.07 1rt1 n LYS 65 Cb 0.52 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.47 1rt1 n LYS 65 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1rt1 n LYS 66 N 0.00 0.55 -0.28 1.64 4.01 -1.26 -3.48 118.16 119.35 1rt1 n LYS 66 Ca 0.00 0.16 0.15 0.00 -0.51 0.00 0.00 58.31 58.11 1rt1 n LYS 66 Cb 0.00 -1.43 0.28 0.00 -0.51 0.00 0.00 35.03 33.38 1rt1 n LYS 66 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1rt1 n ASP 67 N -3.45 -0.02 0.00 4.39 5.68 -1.26 -2.51 116.55 119.37 1rt1 n ASP 67 Ca -0.43 1.38 0.00 0.00 -0.50 0.00 0.00 54.79 55.24 1rt1 n ASP 67 Cb 0.90 -0.53 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 1rt1 n ASP 67 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1rt1 n SER 68 N -5.10 0.36 0.00 -1.12 7.64 -1.26 -4.97 113.62 109.17 1rt1 n SER 68 Ca 0.21 -1.11 0.00 0.00 1.01 0.00 0.00 58.87 58.99 1rt1 n SER 68 Cb 0.71 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.91 1rt1 n SER 68 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1rt1 n THR 69 N -0.05 0.00 -2.42 0.44 -1.04 -1.05 -4.86 114.28 105.30 1rt1 n THR 69 Ca 0.00 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.62 1rt1 n THR 69 Cb 0.29 -0.64 -0.04 0.00 -1.82 0.00 0.00 70.33 68.13 1rt1 n THR 69 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1rt1 s LYS 70 N -1.28 4.38 0.01 -2.82 2.20 -1.26 -4.72 119.74 116.26 1rt1 s LYS 70 Ca 0.00 1.78 -0.30 0.00 -0.36 0.00 0.00 55.97 57.09 1rt1 s LYS 70 Cb 0.00 -2.92 -0.07 0.00 -1.51 0.00 0.00 37.83 33.33 1rt1 s LYS 70 CO 0.00 -0.02 1.56 -1.58 -0.36 0.00 0.00 175.35 174.95 1rt1 s TRP 71 N -1.32 2.47 0.00 4.03 0.23 -1.26 -3.61 118.94 119.47 1rt1 s TRP 71 Ca 0.51 0.47 0.00 0.00 -2.03 0.00 0.00 56.10 55.04 1rt1 s TRP 71 Cb -0.30 -3.84 0.00 0.00 0.03 0.00 0.00 33.47 29.35 1rt1 s TRP 71 CO 0.39 -3.36 0.00 0.54 0.96 0.00 0.00 176.95 175.48 1rt1 n ARG 72 N 5.90 3.83 -3.59 4.98 1.74 0.13 -4.97 116.66 124.68 1rt1 n ARG 72 Ca 0.15 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.10 1rt1 n ARG 72 Cb 0.42 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.81 1rt1 n ARG 72 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1rt1 s LYS 73 N 2.31 1.04 -0.09 5.56 -2.85 -1.26 -4.05 119.74 120.40 1rt1 s LYS 73 Ca 0.00 -0.37 -0.04 0.00 -1.00 0.00 0.00 55.97 54.57 1rt1 s LYS 73 Cb 0.00 0.47 0.05 0.00 -2.06 0.00 0.00 37.83 36.29 1rt1 s LYS 73 CO 0.00 -0.39 0.19 -1.17 0.10 0.00 0.00 175.35 174.08 1rt1 s LEU 74 N -2.20 0.37 -0.20 2.77 2.96 0.74 -4.88 118.68 118.24 1rt1 s LEU 74 Ca -0.03 0.40 -0.08 0.00 -0.22 0.00 0.00 54.13 54.20 1rt1 s LEU 74 Cb -0.00 0.48 -0.04 0.00 0.50 0.00 0.00 46.19 47.13 1rt1 s LEU 74 CO -0.05 -0.18 0.08 -0.69 -1.32 0.00 0.00 176.35 174.19 1rt1 s VAL 75 N 1.55 4.85 -1.07 1.68 1.01 -1.26 0.11 120.40 127.27 1rt1 s VAL 75 Ca -0.06 -0.01 -0.17 0.00 0.00 0.00 0.00 61.98 61.75 1rt1 s VAL 75 Cb -0.11 -3.21 0.14 0.00 0.00 0.00 0.00 36.38 33.19 1rt1 s VAL 75 CO -0.07 0.42 1.30 -0.62 0.00 0.00 0.00 175.10 176.13 1rt1 s ASP 76 N 0.66 6.82 0.00 3.32 -1.08 -0.39 -4.89 116.67 121.11 1rt1 s ASP 76 Ca 0.04 -2.43 0.20 0.00 -0.52 0.00 0.00 52.55 49.84 1rt1 s ASP 76 Cb -0.13 -2.42 1.20 0.00 -1.46 0.00 0.00 42.92 40.11 1rt1 s ASP 76 CO 0.01 -0.96 1.75 0.49 0.52 0.00 0.00 175.17 176.99 1rt1 n PHE 77 N 6.37 0.00 -0.33 -5.34 3.72 -1.26 -4.38 117.46 116.24 1rt1 n PHE 77 Ca 0.31 0.00 0.19 0.00 -0.05 0.00 0.00 57.45 57.90 1rt1 n PHE 77 Cb 0.46 0.00 0.37 0.00 -0.94 0.00 0.00 39.48 39.38 1rt1 n PHE 77 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1rt1 n ARG 78 N -0.82 -0.07 0.30 -1.08 1.74 -1.26 0.25 116.66 115.71 1rt1 n ARG 78 Ca 0.15 1.42 -0.13 0.00 -0.77 0.00 0.00 57.85 58.52 1rt1 n ARG 78 Cb 0.07 -2.34 -0.07 0.00 -1.02 0.00 0.00 32.46 29.10 1rt1 n ARG 78 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1rt1 h GLU 79 N 0.00 -0.77 -0.97 5.56 4.39 -1.99 -1.52 114.58 119.28 1rt1 h GLU 79 Ca 0.66 0.05 0.17 0.00 0.34 0.00 0.00 59.36 60.58 1rt1 h GLU 79 Cb 1.51 0.17 -0.10 0.00 -0.10 0.00 0.00 28.75 30.23 1rt1 h GLU 79 CO -0.86 -0.48 0.58 1.25 -1.16 0.00 0.00 179.01 178.33 1rt1 h LEU 80 N -1.17 0.76 0.13 1.33 5.85 -1.42 -0.42 115.31 120.38 1rt1 h LEU 80 Ca -0.08 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1rt1 h LEU 80 Cb 0.64 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1rt1 h LEU 80 CO 0.13 0.30 -0.06 0.78 -0.34 0.00 0.00 178.44 179.25 1rt1 h ASN 81 N 0.78 -0.15 0.00 1.25 2.35 -0.16 0.83 115.58 120.48 1rt1 h ASN 81 Ca 0.54 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.28 1rt1 h ASN 81 Cb 0.77 0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.18 1rt1 h ASN 81 CO -0.36 -0.09 0.00 2.29 -1.65 0.00 0.00 177.43 177.62 1rt1 n LYS 82 N -5.16 0.25 0.00 0.81 2.85 -0.21 -1.47 118.16 115.24 1rt1 n LYS 82 Ca -0.08 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.18 1rt1 n LYS 82 Cb 0.11 -1.41 0.00 0.00 -0.65 0.00 0.00 35.03 33.08 1rt1 n LYS 82 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1rt1 n ARG 83 N -0.91 6.11 -2.95 -1.58 1.74 -0.36 -4.99 116.66 113.73 1rt1 n ARG 83 Ca 0.05 -0.01 -0.35 0.00 -0.77 0.00 0.00 57.85 56.77 1rt1 n ARG 83 Cb 0.02 -0.46 -0.06 0.00 -1.02 0.00 0.00 32.46 30.94 1rt1 n ARG 83 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1rt1 s THR 84 N -0.88 4.44 1.11 0.55 2.01 0.14 -0.58 115.64 122.44 1rt1 s THR 84 Ca 0.00 1.43 -0.18 0.00 0.31 0.00 0.00 61.69 63.25 1rt1 s THR 84 Cb 0.00 -3.81 0.10 0.00 0.01 0.00 0.00 72.50 68.80 1rt1 s THR 84 CO 0.00 0.01 0.02 0.00 -0.69 0.00 0.00 174.62 173.95 1rt1 n GLN 85 N 0.19 -1.52 -3.42 4.92 10.64 -0.53 -4.41 117.38 123.25 1rt1 n GLN 85 Ca 0.02 -0.43 -0.38 0.00 -1.83 0.00 0.00 57.00 54.38 1rt1 n GLN 85 Cb 0.52 -1.71 -0.06 0.00 -0.86 0.00 0.00 30.24 28.13 1rt1 n GLN 85 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1rt1 s ASP 86 N -1.85 6.90 0.35 2.61 1.11 -1.26 -4.93 116.67 119.61 1rt1 s ASP 86 Ca 0.56 1.07 0.08 0.00 0.18 0.00 0.00 52.55 54.44 1rt1 s ASP 86 Cb -0.12 -2.29 -0.04 0.00 1.07 0.00 0.00 42.92 41.54 1rt1 s ASP 86 CO 0.66 0.30 0.14 -0.36 1.18 0.00 0.00 175.17 177.10 1rt1 s PHE 87 N -1.11 2.68 0.07 4.23 0.08 -1.26 -5.08 117.98 117.60 1rt1 s PHE 87 Ca 0.26 -0.42 -0.31 0.00 0.12 0.00 0.00 56.93 56.59 1rt1 s PHE 87 Cb -0.18 -1.69 -0.06 0.00 -0.57 0.00 0.00 43.02 40.53 1rt1 s PHE 87 CO 0.16 0.31 1.19 -0.46 -0.10 0.00 0.00 175.22 176.32 1rt1 s TRP 88 N -2.46 3.44 -0.23 0.36 -0.00 -1.26 -4.85 118.94 113.95 1rt1 s TRP 88 Ca 0.38 1.32 -0.21 0.00 -0.00 0.00 0.00 56.10 57.59 1rt1 s TRP 88 Cb -0.01 -3.41 -0.09 0.00 -0.00 0.00 0.00 33.47 29.95 1rt1 s TRP 88 CO 0.22 -1.24 0.78 -0.85 -0.00 0.00 0.00 176.95 175.86 1rt1 n GLU 89 N 3.77 0.00 -1.13 5.86 -0.00 -1.26 -4.90 120.64 122.98 1rt1 n GLU 89 Ca 0.08 0.00 -0.29 0.00 -0.00 0.00 0.00 57.16 56.96 1rt1 n GLU 89 Cb 0.46 -0.68 0.18 0.00 -0.00 0.00 0.00 31.44 31.40 1rt1 n GLU 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 1rt1 s VAL 90 N 1.66 2.10 -0.33 3.84 -7.23 -1.26 -4.78 120.40 114.40 1rt1 s VAL 90 Ca 0.49 0.03 -0.35 0.00 -1.81 0.00 0.00 61.98 60.34 1rt1 s VAL 90 Cb -0.68 -2.49 -0.11 0.00 0.56 0.00 0.00 36.38 33.66 1rt1 s VAL 90 CO 0.35 -0.04 2.17 1.67 -0.31 0.00 0.00 175.10 178.94 1rt1 n GLN 91 N -4.22 1.14 0.00 4.82 7.27 -1.26 -4.76 117.38 120.38 1rt1 n GLN 91 Ca 0.05 0.32 0.00 0.00 0.07 0.00 0.00 57.00 57.44 1rt1 n GLN 91 Cb 0.57 -2.48 0.00 0.00 2.41 0.00 0.00 30.24 30.74 1rt1 n GLN 91 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1rt1 n LEU 92 N 9.67 1.49 -3.90 1.69 7.99 -1.26 -4.83 117.00 127.84 1rt1 n LEU 92 Ca 0.40 -1.49 -0.30 0.00 -0.01 0.00 0.00 56.01 54.61 1rt1 n LEU 92 Cb 0.23 0.00 -0.14 0.00 -0.11 0.00 0.00 43.42 43.40 1rt1 n LEU 92 CO 0.76 0.37 -0.26 -0.83 -1.51 0.00 0.00 177.39 175.92 1rt1 s GLY 93 N -0.61 1.97 0.34 -0.72 0.00 -1.26 -5.11 107.32 101.93 1rt1 s GLY 93 Ca 0.00 -2.72 -0.04 0.00 0.00 0.00 0.00 44.72 41.96 1rt1 s GLY 93 CO 0.00 1.16 0.60 -0.26 0.00 0.00 0.00 173.10 174.60 1rt1 s ILE 94 N 0.44 5.01 0.88 0.90 -0.00 -1.26 -5.07 121.20 122.10 1rt1 s ILE 94 Ca 0.14 -0.01 -0.13 0.00 -0.00 0.00 0.00 60.65 60.65 1rt1 s ILE 94 Cb -0.22 -3.79 0.04 0.00 -0.00 0.00 0.00 42.46 38.49 1rt1 s ILE 94 CO -0.06 -0.48 0.63 -2.65 -0.00 0.00 0.00 174.94 172.39 1rt1 n PRO 95 N -1.38 -0.13 -5.02 0.37 -0.02 -1.26 -5.03 135.00 122.55 1rt1 n PRO 95 Ca -0.02 0.02 -0.29 0.00 -2.02 0.00 0.00 63.50 61.19 1rt1 n PRO 95 Cb 0.55 -2.00 -0.17 0.00 -0.02 0.00 0.00 33.50 31.87 1rt1 n PRO 95 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1rt1 s HIS 96 N -2.29 2.11 0.30 6.00 2.46 -1.26 -5.03 115.29 117.58 1rt1 s HIS 96 Ca 0.62 -0.73 0.02 0.00 0.47 0.00 0.00 55.06 55.44 1rt1 s HIS 96 Cb -0.25 -1.42 0.75 0.00 -0.13 0.00 0.00 32.58 31.52 1rt1 s HIS 96 CO 0.62 -0.28 1.59 -1.35 -2.47 0.00 0.00 174.74 172.85 1rt1 h PRO 97 N 6.47 0.05 0.00 2.88 0.11 -1.95 0.22 132.00 139.78 1rt1 h PRO 97 Ca -0.28 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1rt1 h PRO 97 Cb 1.20 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1rt1 h PRO 97 CO 0.47 0.03 0.13 0.00 -0.21 0.00 0.00 178.00 178.42 1rt1 h ALA 98 N 1.93 1.12 -0.03 -0.75 0.00 -1.85 -1.16 119.26 118.52 1rt1 h ALA 98 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.50 1rt1 h ALA 98 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1rt1 h ALA 98 CO -0.85 -0.12 0.00 0.41 0.00 0.00 0.00 179.25 178.69 1rt1 n GLY 99 N -1.19 0.68 3.77 0.00 0.00 0.76 -3.93 105.19 105.28 1rt1 n GLY 99 Ca -0.02 -0.60 -0.38 0.00 0.00 0.00 0.00 46.02 45.02 1rt1 n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rt1 s LEU 100 N -1.74 4.46 -0.07 0.99 1.43 -0.44 -4.72 118.68 118.59 1rt1 s LEU 100 Ca 0.24 1.87 -0.14 0.00 -1.03 0.00 0.00 54.13 55.08 1rt1 s LEU 100 Cb 0.17 -3.85 -0.05 0.00 0.03 0.00 0.00 46.19 42.49 1rt1 s LEU 100 CO 0.26 0.02 0.35 -0.54 0.23 0.00 0.00 176.35 176.68 1rt1 s LYS 101 N -1.72 3.99 0.62 1.70 1.02 -1.26 -0.03 119.74 124.07 1rt1 s LYS 101 Ca 0.46 0.26 -0.18 0.00 0.02 0.00 0.00 55.97 56.54 1rt1 s LYS 101 Cb -0.21 -3.30 -0.02 0.00 -0.52 0.00 0.00 37.83 33.78 1rt1 s LYS 101 CO 0.27 0.52 1.20 -1.59 -0.92 0.00 0.00 175.35 174.83 1rt1 s LYS 102 N -0.46 2.81 0.08 1.68 -2.85 -1.26 -4.91 119.74 114.83 1rt1 s LYS 102 Ca 0.21 1.78 0.04 0.00 -1.00 0.00 0.00 55.97 57.01 1rt1 s LYS 102 Cb -0.15 -1.91 -0.03 0.00 -2.06 0.00 0.00 37.83 33.68 1rt1 s LYS 102 CO 0.09 -1.32 -0.12 0.15 0.10 0.00 0.00 175.35 174.25 1rt1 s LYS 103 N -3.50 0.82 0.40 1.78 -0.14 -1.26 -4.95 119.74 112.89 1rt1 s LYS 103 Ca 0.76 -1.03 0.09 0.00 -1.36 0.00 0.00 55.97 54.43 1rt1 s LYS 103 Cb -0.29 -0.69 0.84 0.00 -1.68 0.00 0.00 37.83 36.00 1rt1 s LYS 103 CO 0.36 0.14 1.98 -0.22 -0.76 0.00 0.00 175.35 176.84 1rt1 h LYS 104 N 3.99 0.34 -2.34 1.68 1.63 -1.15 -3.44 116.57 117.27 1rt1 h LYS 104 Ca -0.39 -0.05 -0.05 0.00 -0.85 0.00 0.00 60.65 59.31 1rt1 h LYS 104 Cb 1.19 -0.06 -0.17 0.00 -0.60 0.00 0.00 32.23 32.59 1rt1 h LYS 104 CO 0.45 0.35 0.17 -1.12 -3.45 0.00 0.00 179.45 175.86 1rt1 s SER 105 N -6.82 -0.61 -0.00 4.20 0.01 -0.90 -5.00 113.70 104.58 1rt1 s SER 105 Ca -0.07 0.47 0.00 0.00 1.31 0.00 0.00 55.95 57.67 1rt1 s SER 105 Cb 0.16 0.55 -0.00 0.00 0.21 0.00 0.00 66.02 66.94 1rt1 s SER 105 CO 0.73 -0.71 -0.02 -0.69 0.41 0.00 0.00 173.24 172.96 1rt1 s VAL 106 N -1.96 0.12 -0.06 3.43 1.01 -1.26 -0.23 120.40 121.45 1rt1 s VAL 106 Ca -0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.83 1rt1 s VAL 106 Cb -0.00 -0.11 0.03 0.00 0.00 0.00 0.00 36.38 36.29 1rt1 s VAL 106 CO 0.03 0.03 0.02 -0.89 0.00 0.00 0.00 175.10 174.29 1rt1 s THR 107 N -0.04 0.25 -0.22 3.92 2.01 0.17 -4.95 115.64 116.78 1rt1 s THR 107 Ca 0.01 0.20 -0.17 0.00 0.31 0.00 0.00 61.69 62.03 1rt1 s THR 107 Cb -0.01 -0.43 -0.03 0.00 0.01 0.00 0.00 72.50 72.04 1rt1 s THR 107 CO -0.00 0.24 0.47 0.54 -0.69 0.00 0.00 174.62 175.18 1rt1 s VAL 108 N 1.99 5.13 -0.05 3.82 0.11 -1.26 -2.04 120.40 128.10 1rt1 s VAL 108 Ca 0.04 0.83 -0.06 0.00 -2.93 0.00 0.00 61.98 59.87 1rt1 s VAL 108 Cb -0.12 -3.79 -0.04 0.00 -1.53 0.00 0.00 36.38 30.89 1rt1 s VAL 108 CO -0.05 0.17 0.19 -0.22 -3.33 0.00 0.00 175.10 171.87 1rt1 s LEU 109 N 1.75 4.38 -0.36 2.54 2.96 -0.42 -4.60 118.68 124.93 1rt1 s LEU 109 Ca 0.21 0.45 -0.11 0.00 -0.22 0.00 0.00 54.13 54.47 1rt1 s LEU 109 Cb -0.15 -2.41 0.02 0.00 0.50 0.00 0.00 46.19 44.15 1rt1 s LEU 109 CO 0.09 0.32 0.19 -0.62 -1.32 0.00 0.00 176.35 175.02 1rt1 s ASP 110 N -1.50 5.68 -0.78 3.68 2.15 -1.26 -1.73 116.67 122.91 1rt1 s ASP 110 Ca 0.22 -0.92 -0.02 0.00 0.43 0.00 0.00 52.55 52.27 1rt1 s ASP 110 Cb -0.13 -2.01 0.38 0.00 -0.30 0.00 0.00 42.92 40.86 1rt1 s ASP 110 CO 0.12 -0.35 1.99 1.33 -0.17 0.00 0.00 175.17 178.10 1rt1 n VAL 111 N 4.99 3.56 0.00 1.11 0.24 -0.22 -4.60 118.33 123.41 1rt1 n VAL 111 Ca -0.12 -3.91 0.00 0.00 -2.04 0.00 0.00 64.34 58.27 1rt1 n VAL 111 Cb 0.47 -1.22 0.00 0.00 -1.47 0.00 0.00 33.84 31.62 1rt1 n VAL 111 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rt1 n GLY 112 N -0.65 -0.09 2.36 7.63 0.00 -1.24 -2.33 105.19 110.88 1rt1 n GLY 112 Ca 0.56 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.40 1rt1 n GLY 112 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rt1 n ASP 113 N 0.00 4.93 0.09 1.61 5.68 -1.26 -4.04 116.55 123.56 1rt1 n ASP 113 Ca 0.00 -2.29 0.12 0.00 -0.50 0.00 0.00 54.79 52.12 1rt1 n ASP 113 Cb 0.00 -1.11 0.19 0.00 -1.14 0.00 0.00 41.12 39.06 1rt1 n ASP 113 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1rt1 h ALA 114 N 5.06 0.70 -0.01 2.12 0.00 -1.86 -3.10 119.26 122.15 1rt1 h ALA 114 Ca 0.39 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 1rt1 h ALA 114 Cb 0.57 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1rt1 h ALA 114 CO 0.99 0.00 0.00 1.88 0.00 0.00 0.00 179.25 182.13 1rt1 h TYR 115 N 0.00 0.02 0.00 0.00 -1.99 -1.82 -2.03 116.97 111.15 1rt1 h TYR 115 Ca 0.00 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1rt1 h TYR 115 Cb 0.82 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.54 1rt1 h TYR 115 CO 0.00 0.21 0.00 1.19 -0.00 0.00 0.00 178.16 179.56 1rt1 n PHE 116 N -4.98 0.00 -0.01 4.88 3.01 -1.22 -1.84 117.46 117.29 1rt1 n PHE 116 Ca -0.07 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.35 1rt1 n PHE 116 Cb 0.12 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.47 1rt1 n PHE 116 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1rt1 n SER 117 N -0.90 0.69 -4.70 4.37 7.64 -0.79 -4.84 113.62 115.10 1rt1 n SER 117 Ca 0.14 0.31 -0.39 0.00 1.01 0.00 0.00 58.87 59.95 1rt1 n SER 117 Cb 0.06 0.31 -0.06 0.00 -1.01 0.00 0.00 64.21 63.51 1rt1 n SER 117 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1rt1 s VAL 118 N -2.78 5.15 0.77 0.44 1.01 -0.77 -3.83 120.40 120.39 1rt1 s VAL 118 Ca -0.05 0.99 -0.14 0.00 0.00 0.00 0.00 61.98 62.78 1rt1 s VAL 118 Cb 0.08 -3.84 0.06 0.00 0.00 0.00 0.00 36.38 32.68 1rt1 s VAL 118 CO 0.82 0.26 1.21 -2.84 0.00 0.00 0.00 175.10 174.55 1rt1 s PRO 119 N 1.05 1.87 0.10 2.72 0.02 -1.26 -0.73 135.00 138.78 1rt1 s PRO 119 Ca 0.26 1.76 0.01 0.00 0.02 0.00 0.00 61.00 63.05 1rt1 s PRO 119 Cb -0.15 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.53 1rt1 s PRO 119 CO 0.10 -2.04 0.24 -1.17 -0.33 0.00 0.00 177.00 173.80 1rt1 s LEU 120 N -5.45 4.32 -0.31 -5.54 0.20 -0.73 -4.39 118.68 106.79 1rt1 s LEU 120 Ca 0.74 0.21 -0.28 0.00 0.69 0.00 0.00 54.13 55.49 1rt1 s LEU 120 Cb -0.29 -2.91 -0.04 0.00 -0.43 0.00 0.00 46.19 42.51 1rt1 s LEU 120 CO 0.48 0.12 2.14 -0.62 -0.29 0.00 0.00 176.35 178.18 1rt1 s ASP 121 N -2.83 5.36 0.53 3.68 2.15 -1.26 -4.79 116.67 119.51 1rt1 s ASP 121 Ca 0.35 1.55 0.45 0.00 0.43 0.00 0.00 52.55 55.32 1rt1 s ASP 121 Cb -0.12 -2.51 1.67 0.00 -0.30 0.00 0.00 42.92 41.65 1rt1 s ASP 121 CO 0.28 -2.09 1.60 1.05 -0.17 0.00 0.00 175.17 175.84 1rt1 h GLU 122 N 15.38 0.01 -0.30 4.34 9.09 -1.94 0.43 114.58 141.58 1rt1 h GLU 122 Ca -0.36 -0.00 -0.18 0.00 0.05 0.00 0.00 59.36 58.87 1rt1 h GLU 122 Cb 1.22 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.32 1rt1 h GLU 122 CO 1.02 0.01 -0.53 0.22 0.05 0.00 0.00 179.01 179.78 1rt1 h ASP 123 N 0.01 0.99 1.02 3.06 3.58 -1.94 -3.23 116.42 119.91 1rt1 h ASP 123 Ca 0.89 -0.52 -0.10 0.00 0.42 0.00 0.00 57.03 57.71 1rt1 h ASP 123 Cb 3.42 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 44.17 1rt1 h ASP 123 CO -0.11 1.33 -0.49 0.15 -2.88 0.00 0.00 179.24 177.23 1rt1 h PHE 124 N 0.68 0.00 -0.98 0.28 3.57 -0.41 -3.38 116.94 116.71 1rt1 h PHE 124 Ca 0.02 0.00 0.37 0.00 3.53 0.00 0.00 57.97 61.89 1rt1 h PHE 124 Cb 1.14 0.00 -0.18 0.00 2.79 0.00 0.00 35.95 39.70 1rt1 h PHE 124 CO 0.07 0.49 0.38 0.54 -2.23 0.00 0.00 178.31 177.56 1rt1 n ARG 125 N -3.45 -0.06 0.03 1.11 1.74 -0.87 -1.13 116.66 114.03 1rt1 n ARG 125 Ca 0.00 1.38 0.17 0.00 -0.77 0.00 0.00 57.85 58.64 1rt1 n ARG 125 Cb 0.62 -2.40 0.65 0.00 -1.02 0.00 0.00 32.46 30.31 1rt1 n ARG 125 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 1rt1 h LYS 126 N 0.00 0.07 0.00 5.56 2.10 -1.81 -1.93 116.57 120.56 1rt1 h LYS 126 Ca 0.76 -0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 59.39 1rt1 h LYS 126 Cb 1.92 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 33.23 1rt1 h LYS 126 CO -0.80 0.04 -0.08 1.88 -2.00 0.00 0.00 179.45 178.49 1rt1 h TYR 127 N 0.07 0.00 -0.28 0.07 0.05 -1.45 -2.85 116.97 112.58 1rt1 h TYR 127 Ca 0.22 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.00 1rt1 h TYR 127 Cb 0.78 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.52 1rt1 h TYR 127 CO -0.00 0.08 0.00 0.25 -1.05 0.00 0.00 178.16 177.44 1rt1 n THR 128 N -3.27 0.69 -2.11 -2.88 -2.24 -0.73 -4.61 114.28 99.13 1rt1 n THR 128 Ca -0.00 -0.47 -0.38 0.00 -2.27 0.00 0.00 64.05 60.93 1rt1 n THR 128 Cb 0.30 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 1rt1 n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rt1 s ALA 129 N -1.64 3.03 0.23 6.98 0.00 -1.08 -4.20 121.76 125.09 1rt1 s ALA 129 Ca 0.21 1.09 -0.09 0.00 0.00 0.00 0.00 51.96 53.17 1rt1 s ALA 129 Cb 0.13 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.79 1rt1 s ALA 129 CO 0.11 -0.83 0.38 -0.59 0.00 0.00 0.00 175.76 174.82 1rt1 s PHE 130 N -1.41 0.59 -0.04 0.00 -0.71 -0.82 -0.26 117.98 115.33 1rt1 s PHE 130 Ca 0.63 -0.91 0.01 0.00 -1.04 0.00 0.00 56.93 55.62 1rt1 s PHE 130 Cb -0.34 -0.03 0.02 0.00 -1.21 0.00 0.00 43.02 41.47 1rt1 s PHE 130 CO 0.41 -0.89 -0.05 0.99 -1.34 0.00 0.00 175.22 174.34 1rt1 s THR 131 N -4.06 0.56 -0.51 -4.49 2.01 -1.25 -2.33 115.64 105.56 1rt1 s THR 131 Ca 0.27 -0.16 -0.24 0.00 0.31 0.00 0.00 61.69 61.87 1rt1 s THR 131 Cb 0.02 -0.56 0.04 0.00 0.01 0.00 0.00 72.50 72.00 1rt1 s THR 131 CO 0.10 0.22 0.92 -0.63 -0.69 0.00 0.00 174.62 174.53 1rt1 s ILE 132 N 0.73 4.45 0.99 1.82 1.01 0.90 -4.59 121.20 126.51 1rt1 s ILE 132 Ca -0.10 0.43 -0.14 0.00 0.00 0.00 0.00 60.65 60.84 1rt1 s ILE 132 Cb -0.13 -4.48 0.06 0.00 0.01 0.00 0.00 42.46 37.92 1rt1 s ILE 132 CO 0.00 -0.98 0.33 -0.81 0.00 0.00 0.00 174.94 173.49 1rt1 n PRO 133 N 7.27 -0.60 -3.73 2.79 -0.04 -1.26 -0.96 135.00 138.46 1rt1 n PRO 133 Ca 0.03 -0.14 -0.21 0.00 -0.04 0.00 0.00 63.50 63.14 1rt1 n PRO 133 Cb 0.48 -1.83 -0.03 0.00 -0.04 0.00 0.00 33.50 32.07 1rt1 n PRO 133 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1rt1 s SER 134 N -1.99 5.25 -0.50 3.54 0.15 -1.26 -4.69 113.70 114.21 1rt1 s SER 134 Ca 0.57 -0.54 -0.28 0.00 0.70 0.00 0.00 55.95 56.39 1rt1 s SER 134 Cb -0.19 -0.88 -0.09 0.00 -1.71 0.00 0.00 66.02 63.15 1rt1 s SER 134 CO 0.67 -0.43 2.40 -0.38 1.20 0.00 0.00 173.24 176.70 1rt1 n ILE 135 N -1.43 0.03 -3.65 6.45 -0.00 -1.26 -2.54 119.36 116.96 1rt1 n ILE 135 Ca -0.00 -0.57 -0.26 0.00 -0.00 0.00 0.00 62.75 61.91 1rt1 n ILE 135 Cb 0.60 -2.32 0.02 0.00 -0.00 0.00 0.00 39.64 37.95 1rt1 n ILE 135 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 1rt1 n ASN 136 N 13.77 -5.51 -3.82 4.38 2.85 -1.26 -3.24 115.26 122.43 1rt1 n ASN 136 Ca 0.40 -0.88 -0.35 0.00 -0.11 0.00 0.00 54.58 53.65 1rt1 n ASN 136 Cb 0.42 -3.08 0.03 0.00 1.24 0.00 0.00 39.78 38.39 1rt1 n ASN 136 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1rt1 n ASN 137 N -2.45 -4.35 0.00 1.20 5.15 -1.05 -5.00 115.26 108.75 1rt1 n ASN 137 Ca -0.14 -1.09 0.00 0.00 -0.60 0.00 0.00 54.58 52.75 1rt1 n ASN 137 Cb 0.60 -2.88 0.00 0.00 -0.53 0.00 0.00 39.78 36.97 1rt1 n ASN 137 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1rt1 n GLU 138 N -4.44 0.00 -0.02 1.20 1.02 -1.20 -5.03 120.64 112.17 1rt1 n GLU 138 Ca -0.13 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.01 1rt1 n GLU 138 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.02 1rt1 n GLU 138 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1rt1 n THR 139 N 0.00 0.00 -1.87 2.62 -2.24 -1.26 -4.93 114.28 106.60 1rt1 n THR 139 Ca 0.00 -0.01 -0.41 0.00 -2.27 0.00 0.00 64.05 61.36 1rt1 n THR 139 Cb 0.00 -1.41 -0.01 0.00 -2.10 0.00 0.00 70.33 66.80 1rt1 n THR 139 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1rt1 s PRO 140 N -3.05 4.18 1.06 -0.78 0.02 -1.26 -4.69 135.00 130.48 1rt1 s PRO 140 Ca 0.01 2.47 -0.17 0.00 0.02 0.00 0.00 61.00 63.34 1rt1 s PRO 140 Cb -0.00 -3.04 0.23 0.00 0.02 0.00 0.00 34.50 31.72 1rt1 s PRO 140 CO 0.01 -0.52 1.23 0.20 -0.33 0.00 0.00 177.00 177.60 1rt1 s GLY 141 N 0.23 1.70 -0.01 0.52 0.00 -1.26 -4.87 107.32 103.62 1rt1 s GLY 141 Ca 0.59 -1.09 -0.26 0.00 0.00 0.00 0.00 44.72 43.96 1rt1 s GLY 141 CO 0.51 -0.27 0.82 -0.42 0.00 0.00 0.00 173.10 173.73 1rt1 s ILE 142 N -3.52 4.88 -0.01 0.90 -1.09 -0.14 -4.81 121.20 117.40 1rt1 s ILE 142 Ca 0.73 1.72 -0.01 0.00 -2.23 0.00 0.00 60.65 60.86 1rt1 s ILE 142 Cb -0.06 -4.16 -0.04 0.00 -1.58 0.00 0.00 42.46 36.62 1rt1 s ILE 142 CO 0.54 0.26 0.08 -0.13 -1.23 0.00 0.00 174.94 174.46 1rt1 s ARG 143 N 0.59 3.07 0.33 2.79 0.52 -1.26 -0.07 118.95 124.92 1rt1 s ARG 143 Ca 0.43 -0.47 -0.08 0.00 -0.52 0.00 0.00 55.73 55.09 1rt1 s ARG 143 Cb -0.20 -2.86 0.01 0.00 0.52 0.00 0.00 34.95 32.42 1rt1 s ARG 143 CO 0.23 0.66 0.53 0.71 0.02 0.00 0.00 175.30 177.45 1rt1 s TYR 144 N -1.16 0.70 0.09 -0.53 2.02 -0.99 -2.21 117.35 115.27 1rt1 s TYR 144 Ca 0.22 -1.05 -0.20 0.00 -0.37 0.00 0.00 57.07 55.67 1rt1 s TYR 144 Cb -0.12 0.16 0.05 0.00 -0.40 0.00 0.00 41.96 41.64 1rt1 s TYR 144 CO 0.13 -1.18 0.48 1.14 -1.57 0.00 0.00 175.55 174.55 1rt1 s GLN 145 N -3.18 1.07 0.27 -0.62 -2.07 -0.79 -1.94 119.66 112.40 1rt1 s GLN 145 Ca 0.26 -0.44 -0.15 0.00 -1.82 0.00 0.00 55.36 53.21 1rt1 s GLN 145 Cb -0.01 0.48 -0.08 0.00 -1.09 0.00 0.00 33.01 32.31 1rt1 s GLN 145 CO 0.16 -0.41 0.68 0.71 -1.32 0.00 0.00 175.29 175.11 1rt1 s TYR 146 N -3.09 3.45 -0.00 9.60 1.51 -1.26 -0.32 117.35 127.23 1rt1 s TYR 146 Ca -0.02 1.16 0.00 0.00 -1.01 0.00 0.00 57.07 57.21 1rt1 s TYR 146 Cb 0.00 -2.48 0.00 0.00 -0.11 0.00 0.00 41.96 39.37 1rt1 s TYR 146 CO -0.07 0.20 0.82 0.09 -1.11 0.00 0.00 175.55 175.48 1rt1 n ASN 147 N -0.04 1.65 -4.16 2.29 3.02 0.90 -4.75 115.26 114.17 1rt1 n ASN 147 Ca 0.01 -1.64 -0.12 0.00 -0.03 0.00 0.00 54.58 52.80 1rt1 n ASN 147 Cb 0.53 -0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.60 1rt1 n ASN 147 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1rt1 s VAL 148 N -0.64 0.00 -0.21 2.41 -7.23 -1.20 -1.77 120.40 111.77 1rt1 s VAL 148 Ca 0.00 -1.99 -0.28 0.00 -1.81 0.00 0.00 61.98 57.90 1rt1 s VAL 148 Cb 0.00 -2.49 -0.05 0.00 0.56 0.00 0.00 36.38 34.39 1rt1 s VAL 148 CO 0.00 0.00 2.21 -0.76 -0.31 0.00 0.00 175.10 176.24 1rt1 s LEU 149 N -3.17 3.49 0.26 1.32 1.02 0.09 -4.50 118.68 117.20 1rt1 s LEU 149 Ca 0.39 1.93 -0.29 0.00 0.02 0.00 0.00 54.13 56.18 1rt1 s LEU 149 Cb 0.07 -3.51 -0.09 0.00 0.02 0.00 0.00 46.19 42.67 1rt1 s LEU 149 CO 0.13 -1.92 1.20 -2.84 0.02 0.00 0.00 176.35 172.94 1rt1 s PRO 150 N 6.27 4.50 0.18 1.29 0.02 -1.26 -3.74 135.00 142.25 1rt1 s PRO 150 Ca 1.00 1.96 -0.32 0.00 0.02 0.00 0.00 61.00 63.67 1rt1 s PRO 150 Cb -0.34 -3.17 -0.11 0.00 0.02 0.00 0.00 34.50 30.91 1rt1 s PRO 150 CO 0.35 -0.02 1.69 -0.65 -0.33 0.00 0.00 177.00 178.04 1rt1 s GLN 151 N -1.11 4.16 0.00 5.54 -1.52 -1.26 -1.60 119.66 123.87 1rt1 s GLN 151 Ca 0.49 2.52 0.00 0.00 -1.95 0.00 0.00 55.36 56.42 1rt1 s GLN 151 Cb -0.35 -3.20 0.00 0.00 -0.22 0.00 0.00 33.01 29.25 1rt1 s GLN 151 CO 0.43 -0.72 0.00 0.41 -0.25 0.00 0.00 175.29 175.16 1rt1 n GLY 152 N 3.95 1.32 3.78 3.09 0.00 -1.26 -4.87 105.19 111.20 1rt1 n GLY 152 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1rt1 n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1rt1 s TRP 153 N -2.56 3.55 0.15 1.61 -0.00 -0.63 -4.78 118.94 116.27 1rt1 s TRP 153 Ca 0.00 1.73 -0.25 0.00 -0.00 0.00 0.00 56.10 57.58 1rt1 s TRP 153 Cb 0.00 -3.00 0.01 0.00 -0.00 0.00 0.00 33.47 30.48 1rt1 s TRP 153 CO 0.00 -0.08 1.60 -0.22 -0.00 0.00 0.00 176.95 178.24 1rt1 h LYS 154 N 2.95 -0.33 0.00 5.86 3.64 -1.91 -3.00 116.57 123.77 1rt1 h LYS 154 Ca -0.47 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1rt1 h LYS 154 Cb 1.20 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1rt1 h LYS 154 CO 0.64 -0.22 0.00 0.41 -2.27 0.00 0.00 179.45 178.01 1rt1 n GLY 155 N -1.42 -1.48 0.45 5.01 0.00 -1.26 -4.28 105.19 102.21 1rt1 n GLY 155 Ca -0.01 0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1rt1 n GLY 155 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1rt1 h SER 156 N 0.00 -1.54 -0.58 1.61 0.02 -1.82 -0.52 113.55 110.72 1rt1 h SER 156 Ca 0.00 0.18 0.12 0.00 -0.84 0.00 0.00 61.79 61.25 1rt1 h SER 156 Cb 0.54 0.59 -0.09 0.00 0.14 0.00 0.00 62.40 63.59 1rt1 h SER 156 CO 0.00 -0.50 0.04 -0.65 -1.14 0.00 0.00 176.83 174.58 1rt1 h PRO 157 N -0.62 0.15 0.25 3.45 0.11 -1.79 0.65 132.00 134.20 1rt1 h PRO 157 Ca 0.03 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 1rt1 h PRO 157 Cb 0.70 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.78 1rt1 h PRO 157 CO -0.36 0.10 -0.12 0.00 -0.21 0.00 0.00 178.00 177.40 1rt1 h ALA 158 N 1.50 -0.33 -0.30 -0.75 0.00 -1.73 -1.53 119.26 116.12 1rt1 h ALA 158 Ca 0.30 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1rt1 h ALA 158 Cb 0.47 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1rt1 h ALA 158 CO -0.46 -0.66 -0.08 0.82 0.00 0.00 0.00 179.25 178.88 1rt1 h ILE 159 N -0.39 1.21 -0.09 0.00 2.04 -0.39 -1.37 117.51 118.51 1rt1 h ILE 159 Ca -0.03 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 64.92 1rt1 h ILE 159 Cb 0.30 1.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1rt1 h ILE 159 CO 0.06 0.30 0.02 0.15 0.00 0.00 0.00 178.15 178.68 1rt1 h PHE 160 N 0.45 0.15 -0.08 1.37 3.57 0.45 -0.96 116.94 121.90 1rt1 h PHE 160 Ca 0.09 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.58 1rt1 h PHE 160 Cb 0.42 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1rt1 h PHE 160 CO 0.01 0.33 0.03 0.37 -2.23 0.00 0.00 178.31 176.82 1rt1 h GLN 161 N -0.07 0.07 0.19 1.11 5.75 -0.89 0.25 115.11 121.51 1rt1 h GLN 161 Ca 0.03 -0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.53 1rt1 h GLN 161 Cb 0.25 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.77 1rt1 h GLN 161 CO 0.00 0.05 -0.21 1.03 -2.65 0.00 0.00 178.83 177.04 1rt1 h SER 162 N 0.07 -0.58 -0.87 -0.69 0.87 -1.21 0.58 113.55 111.72 1rt1 h SER 162 Ca 0.03 0.06 0.14 0.00 -1.23 0.00 0.00 61.79 60.79 1rt1 h SER 162 Cb 0.01 0.21 -0.09 0.00 -0.44 0.00 0.00 62.40 62.09 1rt1 h SER 162 CO -0.03 -0.31 0.47 0.28 -0.53 0.00 0.00 176.83 176.71 1rt1 h SER 163 N -0.45 0.60 -0.39 6.23 0.02 -1.01 0.86 113.55 119.41 1rt1 h SER 163 Ca 0.01 0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 60.96 1rt1 h SER 163 Cb 0.43 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 1rt1 h SER 163 CO -0.07 0.27 -0.02 -0.03 -1.14 0.00 0.00 176.83 175.84 1rt1 h MET 164 N 0.69 0.79 -0.49 3.45 -1.53 -0.12 -2.22 114.93 115.50 1rt1 h MET 164 Ca 0.47 -0.23 -0.04 0.00 -3.44 0.00 0.00 59.70 56.46 1rt1 h MET 164 Cb 0.62 -0.09 -0.02 0.00 -0.55 0.00 0.00 31.60 31.56 1rt1 h MET 164 CO -0.34 0.82 0.15 1.15 0.14 0.00 0.00 176.91 178.83 1rt1 h THR 165 N 0.74 1.23 0.43 -0.77 2.02 0.14 0.68 112.91 117.38 1rt1 h THR 165 Ca 0.14 -0.78 -0.02 0.00 0.77 0.00 0.00 66.41 66.52 1rt1 h THR 165 Cb 0.48 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1rt1 h THR 165 CO 0.02 0.28 -0.21 0.11 0.37 0.00 0.00 175.52 176.10 1rt1 h LYS 166 N 0.67 -0.56 -0.96 6.66 1.57 -1.05 -0.81 116.57 122.09 1rt1 h LYS 166 Ca 0.16 0.04 0.17 0.00 -1.87 0.00 0.00 60.65 59.15 1rt1 h LYS 166 Cb 0.28 0.13 -0.09 0.00 0.08 0.00 0.00 32.23 32.63 1rt1 h LYS 166 CO -0.00 -0.31 0.61 0.82 -0.57 0.00 0.00 179.45 179.99 1rt1 h ILE 167 N -0.69 0.76 0.00 1.86 2.04 -1.26 -1.14 117.51 119.08 1rt1 h ILE 167 Ca -0.06 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1rt1 h ILE 167 Cb 0.50 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1rt1 h ILE 167 CO 0.10 0.13 -0.14 -0.07 0.00 0.00 0.00 178.15 178.17 1rt1 h LEU 168 N 0.71 0.00 -0.33 1.44 3.38 -0.52 -3.39 115.31 116.59 1rt1 h LEU 168 Ca 0.52 -0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.51 1rt1 h LEU 168 Cb 0.86 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.54 1rt1 h LEU 168 CO -0.28 0.02 -0.14 -0.08 0.09 0.00 0.00 178.44 178.05 1rt1 h GLU 169 N 0.00 -0.08 0.15 1.13 4.81 0.18 -2.54 114.58 118.23 1rt1 h GLU 169 Ca 0.00 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1rt1 h GLU 169 Cb 0.76 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.12 1rt1 h GLU 169 CO 0.00 -0.05 -0.40 -1.35 -0.73 0.00 0.00 179.01 176.48 1rt1 h PRO 170 N -0.08 -0.63 -0.64 0.92 0.11 -1.76 -1.98 132.00 127.94 1rt1 h PRO 170 Ca 0.17 0.04 0.13 0.00 0.11 0.00 0.00 66.00 66.45 1rt1 h PRO 170 Cb 0.34 0.14 -0.10 0.00 0.11 0.00 0.00 31.00 31.49 1rt1 h PRO 170 CO -0.39 -0.42 0.10 0.35 -0.21 0.00 0.00 178.00 177.44 1rt1 h PHE 171 N -0.65 0.15 -0.26 0.65 3.04 -1.80 -1.04 116.94 117.04 1rt1 h PHE 171 Ca 0.02 0.04 -0.06 0.00 3.98 0.00 0.00 57.97 61.95 1rt1 h PHE 171 Cb 0.66 0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.19 1rt1 h PHE 171 CO -0.33 -0.08 -0.09 0.00 -2.02 0.00 0.00 178.31 175.79 1rt1 h ARG 172 N 0.22 0.41 -0.32 1.11 3.08 -1.18 -2.19 114.38 115.51 1rt1 h ARG 172 Ca 0.34 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 60.19 1rt1 h ARG 172 Cb 0.54 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1rt1 h ARG 172 CO -0.46 0.51 -0.20 0.87 -1.07 0.00 0.00 179.97 179.62 1rt1 h LYS 173 N 0.39 0.70 0.00 0.04 1.57 -0.47 -3.00 116.57 115.81 1rt1 h LYS 173 Ca 0.08 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1rt1 h LYS 173 Cb 0.40 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1rt1 h LYS 173 CO 0.02 0.93 0.00 1.96 -0.57 0.00 0.00 179.45 181.79 1rt1 h GLN 174 N 0.46 0.00 -0.99 3.15 4.20 -0.83 -3.38 115.11 117.72 1rt1 h GLN 174 Ca 0.07 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.54 1rt1 h GLN 174 Cb 0.75 0.00 -0.19 0.00 0.30 0.00 0.00 27.48 28.34 1rt1 h GLN 174 CO 0.06 0.00 -0.57 0.27 -0.67 0.00 0.00 178.83 177.92 1rt1 n ASN 175 N -2.84 -2.88 0.29 1.46 6.94 -0.86 -5.02 115.26 112.35 1rt1 n ASN 175 Ca 0.01 -2.93 0.14 0.00 -0.02 0.00 0.00 54.58 51.78 1rt1 n ASN 175 Cb 0.27 1.42 0.88 0.00 -2.36 0.00 0.00 39.78 39.98 1rt1 n ASN 175 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 1rt1 h PRO 176 N 4.83 0.00 -0.85 -0.53 0.13 -1.71 -2.79 132.00 131.09 1rt1 h PRO 176 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1rt1 h PRO 176 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1rt1 h PRO 176 CO 0.13 0.01 0.00 -0.40 -0.23 0.00 0.00 178.00 177.52 1rt1 n ASP 177 N -3.88 0.87 -3.99 1.44 5.75 -1.26 -4.59 116.55 110.88 1rt1 n ASP 177 Ca -0.03 -1.68 -0.28 0.00 -0.01 0.00 0.00 54.79 52.79 1rt1 n ASP 177 Cb 0.10 -0.42 -0.17 0.00 -1.03 0.00 0.00 41.12 39.60 1rt1 n ASP 177 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1rt1 s ILE 178 N -0.98 1.33 -0.24 2.12 1.09 -1.05 -4.34 121.20 119.12 1rt1 s ILE 178 Ca 0.00 -0.50 -0.11 0.00 -1.10 0.00 0.00 60.65 58.93 1rt1 s ILE 178 Cb 0.00 -1.27 -0.05 0.00 -1.06 0.00 0.00 42.46 40.09 1rt1 s ILE 178 CO 0.00 0.41 0.20 -0.69 -0.10 0.00 0.00 174.94 174.77 1rt1 s VAL 179 N 1.38 5.32 -0.11 2.92 1.01 -0.96 -4.97 120.40 124.98 1rt1 s VAL 179 Ca 0.01 0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.25 1rt1 s VAL 179 Cb -0.13 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 1rt1 s VAL 179 CO -0.07 0.31 -0.14 -0.63 0.00 0.00 0.00 175.10 174.57 1rt1 s ILE 180 N 1.27 3.02 -0.22 2.22 1.01 -1.26 -0.97 121.20 126.28 1rt1 s ILE 180 Ca 0.09 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 60.07 1rt1 s ILE 180 Cb -0.14 -2.25 0.03 0.00 0.01 0.00 0.00 42.46 40.11 1rt1 s ILE 180 CO 0.06 0.54 -0.15 -0.47 0.00 0.00 0.00 174.94 174.93 1rt1 s TYR 181 N 0.15 2.97 -0.28 3.97 5.04 -0.80 -4.93 117.35 123.48 1rt1 s TYR 181 Ca -0.07 -1.80 -0.19 0.00 -2.44 0.00 0.00 57.07 52.57 1rt1 s TYR 181 Cb -0.15 -1.95 -0.02 0.00 0.35 0.00 0.00 41.96 40.19 1rt1 s TYR 181 CO 0.05 -0.81 0.56 -1.14 -1.34 0.00 0.00 175.55 172.87 1rt1 s GLN 182 N 1.25 4.00 -0.12 4.97 -0.44 -1.26 -0.41 119.66 127.64 1rt1 s GLN 182 Ca 0.00 0.30 -0.05 0.00 -2.50 0.00 0.00 55.36 53.12 1rt1 s GLN 182 Cb -0.16 -3.68 0.06 0.00 -1.64 0.00 0.00 33.01 27.59 1rt1 s GLN 182 CO -0.09 -0.44 0.25 -0.47 0.50 0.00 0.00 175.29 175.05 1rt1 s TYR 183 N 2.41 -0.38 0.00 1.67 5.04 -0.85 -5.03 117.35 120.21 1rt1 s TYR 183 Ca 0.23 0.90 0.00 0.00 -2.44 0.00 0.00 57.07 55.76 1rt1 s TYR 183 Cb -0.15 -0.03 0.00 0.00 0.35 0.00 0.00 41.96 42.13 1rt1 s TYR 183 CO 0.10 -0.32 0.00 -0.12 -1.34 0.00 0.00 175.55 173.87 1rt1 n MET 184 N 5.03 0.00 -0.86 4.97 1.56 -1.26 -0.68 117.12 125.89 1rt1 n MET 184 Ca -0.12 0.00 -0.04 0.00 -0.27 0.00 0.00 57.70 57.27 1rt1 n MET 184 Cb 0.51 0.00 0.26 0.00 2.15 0.00 0.00 33.22 36.13 1rt1 n MET 184 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 1rt1 n ASP 185 N 6.37 3.90 -4.40 6.12 8.00 -1.26 -4.97 116.55 130.30 1rt1 n ASP 185 Ca 0.00 -3.36 -0.22 0.00 0.71 0.00 0.00 54.79 51.92 1rt1 n ASP 185 Cb 0.00 -0.68 -0.10 0.00 -0.02 0.00 0.00 41.12 40.31 1rt1 n ASP 185 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1rt1 s ASP 186 N -1.66 3.12 -0.14 -2.24 1.01 0.15 -1.05 116.67 115.85 1rt1 s ASP 186 Ca 0.50 -0.98 -0.01 0.00 0.71 0.00 0.00 52.55 52.77 1rt1 s ASP 186 Cb 0.41 -0.22 0.04 0.00 1.01 0.00 0.00 42.92 44.16 1rt1 s ASP 186 CO 0.09 -0.02 -0.01 -0.76 0.21 0.00 0.00 175.17 174.67 1rt1 s LEU 187 N -3.19 1.11 -0.82 1.23 1.43 -0.71 -2.01 118.68 115.72 1rt1 s LEU 187 Ca 0.24 -0.49 -0.15 0.00 -1.03 0.00 0.00 54.13 52.71 1rt1 s LEU 187 Cb -0.04 -0.66 0.21 0.00 0.03 0.00 0.00 46.19 45.73 1rt1 s LEU 187 CO 0.10 -0.22 0.78 -0.31 0.23 0.00 0.00 176.35 176.94 1rt1 s TYR 188 N 1.82 3.69 -0.31 0.29 1.51 0.45 -1.30 117.35 123.49 1rt1 s TYR 188 Ca 0.02 -1.91 -0.23 0.00 -1.01 0.00 0.00 57.07 53.95 1rt1 s TYR 188 Cb -0.15 -3.86 -0.00 0.00 -0.11 0.00 0.00 41.96 37.85 1rt1 s TYR 188 CO -0.07 -1.03 0.75 0.08 -1.11 0.00 0.00 175.55 174.17 1rt1 s VAL 189 N 0.44 4.82 0.25 0.71 1.01 -0.87 -1.90 120.40 124.88 1rt1 s VAL 189 Ca 0.18 1.09 0.07 0.00 0.00 0.00 0.00 61.98 63.33 1rt1 s VAL 189 Cb -0.11 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 1rt1 s VAL 189 CO -0.08 -0.23 -0.10 -0.83 0.00 0.00 0.00 175.10 173.86 1rt1 s GLY 190 N 1.63 1.70 0.05 4.51 0.00 -0.14 0.42 107.32 115.49 1rt1 s GLY 190 Ca 0.31 -1.82 -0.28 0.00 0.00 0.00 0.00 44.72 42.92 1rt1 s GLY 190 CO 0.12 -1.82 1.05 -1.35 0.00 0.00 0.00 173.10 171.10 1rt1 s SER 191 N -3.41 -0.18 -0.10 1.64 1.04 0.68 -2.28 113.70 111.09 1rt1 s SER 191 Ca 0.27 -0.22 0.17 0.00 0.48 0.00 0.00 55.95 56.64 1rt1 s SER 191 Cb 0.02 0.36 0.61 0.00 0.10 0.00 0.00 66.02 67.10 1rt1 s SER 191 CO 0.10 -0.64 1.52 0.47 0.98 0.00 0.00 173.24 175.68 1rt1 n ASP 192 N -0.40 4.27 -4.75 7.02 8.00 -1.26 -0.56 116.55 128.87 1rt1 n ASP 192 Ca -0.07 -2.47 -0.29 0.00 0.71 0.00 0.00 54.79 52.67 1rt1 n ASP 192 Cb 0.61 -0.51 0.14 0.00 -0.02 0.00 0.00 41.12 41.35 1rt1 n ASP 192 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1rt1 s LEU 193 N -1.88 1.97 0.27 0.64 1.43 -1.26 -4.84 118.68 115.02 1rt1 s LEU 193 Ca 0.44 1.12 -0.29 0.00 -1.03 0.00 0.00 54.13 54.37 1rt1 s LEU 193 Cb 0.29 -3.45 -0.10 0.00 0.03 0.00 0.00 46.19 42.97 1rt1 s LEU 193 CO 0.20 -2.67 1.26 -1.61 0.23 0.00 0.00 176.35 173.75 1rt1 s GLU 194 N -5.13 4.43 0.52 1.70 8.01 -1.26 -4.70 118.70 122.28 1rt1 s GLU 194 Ca 0.64 2.06 0.42 0.00 0.01 0.00 0.00 54.97 58.10 1rt1 s GLU 194 Cb -0.16 -3.14 1.61 0.00 -4.31 0.00 0.00 34.13 28.12 1rt1 s GLU 194 CO 0.55 -0.12 1.65 -0.84 0.01 0.00 0.00 175.26 176.51 1rt1 h ILE 195 N 3.30 0.15 0.05 -1.63 3.07 -1.94 0.41 117.51 120.93 1rt1 h ILE 195 Ca -0.47 -0.01 -0.13 0.00 1.55 0.00 0.00 64.86 65.80 1rt1 h ILE 195 Cb 1.22 0.12 0.01 0.00 -0.27 0.00 0.00 36.82 37.90 1rt1 h ILE 195 CO 0.70 0.01 -0.53 1.23 -1.05 0.00 0.00 178.15 178.50 1rt1 h GLY 196 N 0.03 0.30 1.08 0.16 0.00 -1.99 -1.64 103.07 101.00 1rt1 h GLY 196 Ca 0.81 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 47.51 1rt1 h GLY 196 CO -0.11 0.55 0.56 1.46 0.00 0.00 0.00 176.54 179.00 1rt1 h GLN 197 N -0.41 1.22 0.80 4.80 1.08 -0.89 -1.57 115.11 120.15 1rt1 h GLN 197 Ca -0.08 -0.10 -0.04 0.00 -1.45 0.00 0.00 58.65 56.98 1rt1 h GLN 197 Cb 1.33 -0.26 0.01 0.00 -0.05 0.00 0.00 27.48 28.51 1rt1 h GLN 197 CO 0.10 0.84 -0.40 1.25 -0.95 0.00 0.00 178.83 179.68 1rt1 h HIS 198 N 1.25 -1.03 -0.99 2.96 2.76 -0.36 0.95 115.15 120.68 1rt1 h HIS 198 Ca 0.33 -0.02 0.20 0.00 -2.20 0.00 0.00 60.37 58.68 1rt1 h HIS 198 Cb -0.08 0.35 -0.10 0.00 1.55 0.00 0.00 27.41 29.13 1rt1 h HIS 198 CO 0.00 -0.64 0.62 -0.09 -1.30 0.00 0.00 177.93 176.52 1rt1 h ARG 199 N -1.10 0.66 0.22 5.26 2.43 -1.21 -0.23 114.38 120.42 1rt1 h ARG 199 Ca -0.11 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.01 1rt1 h ARG 199 Cb 0.85 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 1rt1 h ARG 199 CO 0.17 0.44 -0.11 1.15 -1.51 0.00 0.00 179.97 180.11 1rt1 h THR 200 N 0.68 0.85 -0.89 0.20 2.02 -0.74 -2.04 112.91 113.00 1rt1 h THR 200 Ca 0.57 -0.44 0.09 0.00 0.77 0.00 0.00 66.41 67.41 1rt1 h THR 200 Cb 1.00 1.10 -0.07 0.00 -1.74 0.00 0.00 68.15 68.44 1rt1 h THR 200 CO -0.35 0.10 0.53 0.11 0.37 0.00 0.00 175.52 176.28 1rt1 h LYS 201 N -0.52 0.87 -0.73 6.66 1.79 0.48 -0.66 116.57 124.47 1rt1 h LYS 201 Ca -0.03 -0.05 -0.04 0.00 -2.18 0.00 0.00 60.65 58.35 1rt1 h LYS 201 Cb 0.39 -0.20 -0.03 0.00 -1.58 0.00 0.00 32.23 30.81 1rt1 h LYS 201 CO 0.05 0.58 0.31 0.82 -1.08 0.00 0.00 179.45 180.13 1rt1 h ILE 202 N 0.90 1.24 -0.61 1.86 5.03 -1.00 -0.45 117.51 124.48 1rt1 h ILE 202 Ca 0.42 -0.73 -0.04 0.00 -0.12 0.00 0.00 64.86 64.39 1rt1 h ILE 202 Cb 0.35 0.35 -0.03 0.00 -3.03 0.00 0.00 36.82 34.46 1rt1 h ILE 202 CO -0.23 0.30 0.21 -0.08 -0.68 0.00 0.00 178.15 177.66 1rt1 h GLU 203 N 1.04 0.91 -0.06 2.37 4.57 -0.39 0.26 114.58 123.28 1rt1 h GLU 203 Ca 0.25 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 1rt1 h GLU 203 Cb 0.17 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 28.61 1rt1 h GLU 203 CO -0.02 0.78 0.01 1.49 -1.18 0.00 0.00 179.01 180.08 1rt1 h GLU 204 N 0.89 0.11 -0.68 1.92 4.81 -0.67 0.47 114.58 121.42 1rt1 h GLU 204 Ca 0.20 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.47 1rt1 h GLU 204 Cb 0.23 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.54 1rt1 h GLU 204 CO -0.01 0.33 0.37 1.25 -0.73 0.00 0.00 179.01 180.22 1rt1 h LEU 205 N -0.13 0.53 0.05 1.64 6.46 -0.66 0.37 115.31 123.57 1rt1 h LEU 205 Ca 0.02 0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.82 1rt1 h LEU 205 Cb 0.27 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.14 1rt1 h LEU 205 CO 0.00 0.33 -0.02 -0.09 -0.62 0.00 0.00 178.44 178.04 1rt1 h ARG 206 N 0.66 -0.06 0.00 1.25 2.43 -0.30 0.06 114.38 118.42 1rt1 h ARG 206 Ca 0.32 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.46 1rt1 h ARG 206 Cb 0.24 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1rt1 h ARG 206 CO -0.21 -0.04 -0.13 1.96 -1.51 0.00 0.00 179.97 180.04 1rt1 h GLN 207 N -0.07 0.00 -0.08 0.20 4.20 -0.18 -1.25 115.11 117.93 1rt1 h GLN 207 Ca -0.01 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 1rt1 h GLN 207 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1rt1 h GLN 207 CO 0.01 0.13 -0.18 1.25 -0.67 0.00 0.00 178.83 179.37 1rt1 h HIS 208 N 0.00 0.33 -0.68 2.96 2.76 0.50 -3.09 115.15 117.93 1rt1 h HIS 208 Ca -0.00 -0.13 0.04 0.00 -2.20 0.00 0.00 60.37 58.09 1rt1 h HIS 208 Cb 0.33 -0.06 -0.04 0.00 1.55 0.00 0.00 27.41 29.19 1rt1 h HIS 208 CO 0.00 0.79 0.45 -0.07 -1.30 0.00 0.00 177.93 177.80 1rt1 h LEU 209 N -0.22 0.67 -1.27 0.26 3.38 -0.10 -1.54 115.31 116.49 1rt1 h LEU 209 Ca -0.00 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1rt1 h LEU 209 Cb 0.78 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 1rt1 h LEU 209 CO 0.04 0.46 0.53 -0.07 0.09 0.00 0.00 178.44 179.49 1rt1 h LEU 210 N 0.78 0.76 -0.28 1.67 -0.00 -1.20 -1.47 115.31 115.57 1rt1 h LEU 210 Ca 0.28 0.01 0.03 0.00 -0.00 0.00 0.00 57.88 58.20 1rt1 h LEU 210 Cb 0.13 -0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 40.61 1rt1 h LEU 210 CO -0.08 0.48 0.10 0.03 -0.00 0.00 0.00 178.44 178.96 1rt1 h ARG 211 N 0.86 0.21 0.00 1.13 3.08 -1.20 -2.26 114.38 116.20 1rt1 h ARG 211 Ca 0.36 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.40 1rt1 h ARG 211 Cb 0.29 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1rt1 h ARG 211 CO -0.13 0.14 0.00 0.91 -1.07 0.00 0.00 179.97 179.82 1rt1 n TRP 212 N -5.03 0.00 0.00 3.04 7.02 -0.59 -4.88 117.44 117.00 1rt1 n TRP 212 Ca -0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.47 1rt1 n TRP 212 Cb 0.10 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.99 1rt1 n TRP 212 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1rt1 n GLY 213 N 0.47 2.91 3.55 6.99 0.00 -0.85 -4.52 105.19 113.74 1rt1 n GLY 213 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1rt1 n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rt1 s LEU 214 N 0.00 3.28 0.12 0.99 1.43 -1.01 -4.93 118.68 118.57 1rt1 s LEU 214 Ca 0.00 0.40 -0.34 0.00 -1.03 0.00 0.00 54.13 53.17 1rt1 s LEU 214 Cb 0.00 -2.53 -0.13 0.00 0.03 0.00 0.00 46.19 43.56 1rt1 s LEU 214 CO 0.00 -2.65 1.66 0.35 0.23 0.00 0.00 176.35 175.94 1rt1 n THR 215 N 7.60 0.12 -2.01 5.49 -2.24 -1.26 -3.98 114.28 118.00 1rt1 n THR 215 Ca 0.29 -0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.63 1rt1 n THR 215 Cb 0.52 -1.68 -0.03 0.00 -2.10 0.00 0.00 70.33 67.04 1rt1 n THR 215 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1rt1 s THR 216 N 1.58 2.90 1.03 4.28 -1.32 -1.26 -4.96 115.64 117.89 1rt1 s THR 216 Ca 0.81 0.62 -0.12 0.00 -1.21 0.00 0.00 61.69 61.79 1rt1 s THR 216 Cb -0.65 -3.40 0.19 0.00 -1.51 0.00 0.00 72.50 67.14 1rt1 s THR 216 CO 0.39 0.04 0.96 -2.65 -2.21 0.00 0.00 174.62 171.16 1rt1 n PRO 217 N 4.15 -1.29 -3.30 7.08 -0.02 -1.26 -5.04 135.00 135.32 1rt1 n PRO 217 Ca 0.13 -0.33 -0.32 0.00 -2.02 0.00 0.00 63.50 60.96 1rt1 n PRO 217 Cb 0.40 -2.21 -0.06 0.00 -0.02 0.00 0.00 33.50 31.61 1rt1 n PRO 217 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1rt1 s ASP 218 N -2.44 6.70 0.46 2.55 2.15 -1.26 -4.99 116.67 119.84 1rt1 s ASP 218 Ca 0.66 1.08 0.21 0.00 0.43 0.00 0.00 52.55 54.93 1rt1 s ASP 218 Cb -0.23 -2.29 1.12 0.00 -0.30 0.00 0.00 42.92 41.22 1rt1 s ASP 218 CO 0.62 -0.12 1.96 0.11 -0.17 0.00 0.00 175.17 177.57 1rt1 h LYS 219 N 2.47 0.00 -0.56 4.34 1.57 -1.99 -2.89 116.57 119.52 1rt1 h LYS 219 Ca -0.47 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.29 1rt1 h LYS 219 Cb 1.17 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.46 1rt1 h LYS 219 CO 0.67 0.21 0.28 0.87 -0.57 0.00 0.00 179.45 180.92 1rt1 h LYS 220 N 0.00 0.79 0.00 3.15 1.57 -2.05 -3.16 116.57 116.87 1rt1 h LYS 220 Ca -0.00 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.56 1rt1 h LYS 220 Cb 0.48 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1rt1 h LYS 220 CO 0.03 0.64 -0.52 0.45 -0.57 0.00 0.00 179.45 179.48 1rt1 h HIS 221 N 0.75 0.00 -0.88 -1.35 3.86 -1.93 -3.48 115.15 112.12 1rt1 h HIS 221 Ca 0.19 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.88 1rt1 h HIS 221 Cb 0.10 0.00 0.09 0.00 1.06 0.00 0.00 27.41 28.66 1rt1 h HIS 221 CO -0.01 0.52 -0.48 1.04 0.86 0.00 0.00 177.93 179.87 1rt1 n GLN 222 N -3.31 0.00 -4.17 2.45 1.13 -1.17 -4.97 117.38 107.34 1rt1 n GLN 222 Ca 0.01 0.00 -0.36 0.00 -1.94 0.00 0.00 57.00 54.72 1rt1 n GLN 222 Cb 0.70 -0.78 -0.08 0.00 0.11 0.00 0.00 30.24 30.18 1rt1 n GLN 222 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1rt1 s LYS 223 N -0.78 3.26 0.10 -1.09 1.02 -1.26 -5.10 119.74 115.88 1rt1 s LYS 223 Ca 0.49 -0.31 0.06 0.00 0.02 0.00 0.00 55.97 56.23 1rt1 s LYS 223 Cb -0.69 -2.97 -0.03 0.00 -0.52 0.00 0.00 37.83 33.62 1rt1 s LYS 223 CO 0.45 0.67 -0.16 -1.21 -0.92 0.00 0.00 175.35 174.18 1rt1 s GLU 224 N -0.76 0.98 0.88 1.68 0.41 -1.26 -4.51 118.70 116.11 1rt1 s GLU 224 Ca 0.12 -1.13 -0.12 0.00 -0.41 0.00 0.00 54.97 53.44 1rt1 s GLU 224 Cb -0.12 -0.98 0.10 0.00 -1.78 0.00 0.00 34.13 31.35 1rt1 s GLU 224 CO 0.03 0.21 1.03 -2.30 -0.49 0.00 0.00 175.26 173.73 1rt1 n PRO 225 N 0.90 -0.19 -2.19 0.39 -0.02 -1.26 -4.57 135.00 128.07 1rt1 n PRO 225 Ca -0.18 0.01 -0.33 0.00 -2.02 0.00 0.00 63.50 60.99 1rt1 n PRO 225 Cb 0.55 -2.30 -0.01 0.00 -0.02 0.00 0.00 33.50 31.73 1rt1 n PRO 225 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1rt1 s PRO 226 N -4.22 3.56 0.02 0.52 0.04 -1.26 -5.09 135.00 128.57 1rt1 s PRO 226 Ca 0.68 1.12 -0.05 0.00 0.04 0.00 0.00 61.00 62.79 1rt1 s PRO 226 Cb -0.25 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.17 1rt1 s PRO 226 CO 0.57 -0.61 0.26 -0.06 0.04 0.00 0.00 177.00 177.20 1rt1 s PHE 227 N -2.49 3.56 -0.29 0.56 0.08 0.21 -4.79 117.98 114.82 1rt1 s PHE 227 Ca 0.62 0.51 -0.15 0.00 0.12 0.00 0.00 56.93 58.03 1rt1 s PHE 227 Cb -0.14 -1.95 -0.03 0.00 -0.57 0.00 0.00 43.02 40.33 1rt1 s PHE 227 CO 0.34 0.60 0.37 -0.51 -0.10 0.00 0.00 175.22 175.92 1rt1 s LEU 228 N -1.95 4.11 -0.52 -0.37 1.43 -1.26 0.29 118.68 120.41 1rt1 s LEU 228 Ca 0.30 0.18 0.07 0.00 -1.03 0.00 0.00 54.13 53.64 1rt1 s LEU 228 Cb -0.13 -2.40 0.26 0.00 0.03 0.00 0.00 46.19 43.94 1rt1 s LEU 228 CO 0.18 -0.22 0.66 1.87 0.23 0.00 0.00 176.35 179.08 1rt1 n TRP 229 N 5.35 1.84 -2.98 0.29 -0.00 -0.18 -4.98 117.44 116.78 1rt1 n TRP 229 Ca -0.09 -3.89 -0.00 0.00 -0.00 0.00 0.00 57.50 53.53 1rt1 n TRP 229 Cb 0.50 -0.46 -0.00 0.00 -0.00 0.00 0.00 31.31 31.35 1rt1 n TRP 229 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 177.69 176.36 1rt1 n MET 230 N 1.02 -1.75 0.00 5.87 2.81 -1.26 -3.66 117.12 120.16 1rt1 n MET 230 Ca 0.26 1.69 0.00 0.00 -1.81 0.00 0.00 57.70 57.84 1rt1 n MET 230 Cb 0.47 -2.88 0.00 0.00 -0.71 0.00 0.00 33.22 30.10 1rt1 n MET 230 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rt1 n GLY 231 N 1.12 1.91 3.30 3.03 0.00 -1.26 -5.01 105.19 108.28 1rt1 n GLY 231 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 1rt1 n GLY 231 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1rt1 s TYR 232 N -2.59 1.48 -0.15 1.61 1.51 -1.24 -0.96 117.35 117.01 1rt1 s TYR 232 Ca 0.00 -0.72 -0.01 0.00 -1.01 0.00 0.00 57.07 55.33 1rt1 s TYR 232 Cb 0.00 -0.76 0.04 0.00 -0.11 0.00 0.00 41.96 41.13 1rt1 s TYR 232 CO 0.00 0.16 -0.04 -1.21 -1.11 0.00 0.00 175.55 173.35 1rt1 s GLU 233 N -3.73 1.24 -0.22 -0.62 2.02 0.24 -1.01 118.70 116.62 1rt1 s GLU 233 Ca 0.21 -0.39 -0.20 0.00 0.02 0.00 0.00 54.97 54.61 1rt1 s GLU 233 Cb 0.02 -1.83 -0.03 0.00 0.10 0.00 0.00 34.13 32.39 1rt1 s GLU 233 CO 0.04 -0.42 0.58 -0.51 0.02 0.00 0.00 175.26 174.97 1rt1 s LEU 234 N 1.71 4.11 0.15 1.80 2.01 0.15 -0.81 118.68 127.80 1rt1 s LEU 234 Ca 0.02 0.72 0.06 0.00 0.01 0.00 0.00 54.13 54.93 1rt1 s LEU 234 Cb -0.15 -2.80 -0.04 0.00 0.01 0.00 0.00 46.19 43.22 1rt1 s LEU 234 CO -0.07 -0.27 0.02 -1.00 1.01 0.00 0.00 176.35 176.03 1rt1 s HIS 235 N 2.02 2.92 0.42 0.29 3.76 0.15 -0.61 115.29 124.24 1rt1 s HIS 235 Ca 0.26 -0.09 0.16 0.00 -0.15 0.00 0.00 55.06 55.23 1rt1 s HIS 235 Cb -0.16 -1.44 1.05 0.00 1.11 0.00 0.00 32.58 33.15 1rt1 s HIS 235 CO 0.10 0.51 1.91 -1.00 -0.85 0.00 0.00 174.74 175.40 1rt1 h PRO 236 N 2.85 0.41 0.00 8.40 0.13 -1.97 -1.97 132.00 139.85 1rt1 h PRO 236 Ca -0.47 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 64.57 1rt1 h PRO 236 Cb 1.19 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1rt1 h PRO 236 CO 0.59 0.27 -0.52 0.38 -0.23 0.00 0.00 178.00 178.49 1rt1 h ASP 237 N 0.42 0.00 0.00 1.44 2.03 -1.95 -3.40 116.42 114.96 1rt1 h ASP 237 Ca 0.38 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.68 1rt1 h ASP 237 Cb 0.88 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.38 1rt1 h ASP 237 CO -0.13 0.27 0.00 2.29 -1.03 0.00 0.00 179.24 180.64 1rt1 n LYS 238 N -3.06 -1.98 -4.40 4.15 0.00 -0.74 -4.78 118.16 107.34 1rt1 n LYS 238 Ca 0.01 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.07 1rt1 n LYS 238 Cb 0.65 0.00 -0.10 0.00 -0.00 0.00 0.00 35.03 35.58 1rt1 n LYS 238 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.40 179.07 1rt1 s TRP 239 N -2.59 2.41 0.24 5.58 1.48 -1.01 0.32 118.94 125.36 1rt1 s TRP 239 Ca 0.00 -0.31 0.01 0.00 -1.06 0.00 0.00 56.10 54.74 1rt1 s TRP 239 Cb 0.00 -1.12 -0.05 0.00 -1.16 0.00 0.00 33.47 31.14 1rt1 s TRP 239 CO 0.00 0.60 0.11 0.95 -4.06 0.00 0.00 176.95 174.55 1rt1 s THR 240 N -2.07 0.39 0.03 0.66 -4.23 0.01 0.69 115.64 111.11 1rt1 s THR 240 Ca 0.26 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.69 1rt1 s THR 240 Cb -0.07 -2.59 -0.05 0.00 1.34 0.00 0.00 72.50 71.13 1rt1 s THR 240 CO 0.14 0.00 0.32 -0.69 -0.54 0.00 0.00 174.62 173.85 1rt1 s VAL 241 N -3.87 5.22 0.43 2.29 1.01 -1.19 -0.59 120.40 123.71 1rt1 s VAL 241 Ca 0.38 0.29 -0.25 0.00 0.00 0.00 0.00 61.98 62.40 1rt1 s VAL 241 Cb 0.08 -3.60 -0.08 0.00 0.00 0.00 0.00 36.38 32.78 1rt1 s VAL 241 CO 0.13 0.35 1.25 -1.10 0.00 0.00 0.00 175.10 175.73 1rt1 s GLN 242 N -1.78 3.85 -0.17 2.72 -0.21 -0.14 -4.77 119.66 119.16 1rt1 s GLN 242 Ca 0.29 2.02 -0.32 0.00 0.02 0.00 0.00 55.36 57.37 1rt1 s GLN 242 Cb -0.14 -2.61 -0.09 0.00 1.00 0.00 0.00 33.01 31.17 1rt1 s GLN 242 CO 0.17 -0.55 2.06 -0.35 -2.12 0.00 0.00 175.29 174.50 1rt1 n PRO 243 N -0.14 1.96 -3.36 2.91 -0.04 -1.26 -4.91 135.00 130.16 1rt1 n PRO 243 Ca 0.05 0.64 -0.42 0.00 -0.04 0.00 0.00 63.50 63.73 1rt1 n PRO 243 Cb 0.45 -2.82 -0.09 0.00 -0.04 0.00 0.00 33.50 31.01 1rt1 n PRO 243 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1rt1 s ILE 244 N 6.04 5.13 -0.27 0.52 2.07 -1.26 -5.06 121.20 128.37 1rt1 s ILE 244 Ca 0.98 -0.23 -0.09 0.00 -1.41 0.00 0.00 60.65 59.90 1rt1 s ILE 244 Cb -0.60 -3.96 -0.03 0.00 0.13 0.00 0.00 42.46 38.00 1rt1 s ILE 244 CO 0.45 -0.30 0.12 0.68 -1.91 0.00 0.00 174.94 173.98 1rt1 s VAL 245 N 2.06 4.65 -0.25 4.00 -7.23 -1.26 -4.95 120.40 117.41 1rt1 s VAL 245 Ca 0.11 -0.11 -0.18 0.00 -1.81 0.00 0.00 61.98 59.99 1rt1 s VAL 245 Cb -0.17 -3.22 -0.03 0.00 0.56 0.00 0.00 36.38 33.53 1rt1 s VAL 245 CO 0.13 0.27 0.54 -0.76 -0.31 0.00 0.00 175.10 174.96 1rt1 s LEU 246 N 1.66 4.07 0.19 1.32 1.43 -1.26 -5.05 118.68 121.03 1rt1 s LEU 246 Ca 0.06 0.58 -0.30 0.00 -1.03 0.00 0.00 54.13 53.45 1rt1 s LEU 246 Cb -0.16 -2.71 -0.08 0.00 0.03 0.00 0.00 46.19 43.28 1rt1 s LEU 246 CO 0.06 -0.29 0.99 -2.16 0.23 0.00 0.00 176.35 175.18 1rt1 s PRO 247 N 2.24 4.74 -0.11 1.29 0.04 -1.26 -5.04 135.00 136.90 1rt1 s PRO 247 Ca 0.23 1.54 -0.23 0.00 0.04 0.00 0.00 61.00 62.58 1rt1 s PRO 247 Cb -0.16 -3.30 -0.03 0.00 0.04 0.00 0.00 34.50 31.05 1rt1 s PRO 247 CO 0.09 0.31 0.70 -2.00 0.04 0.00 0.00 177.00 176.14 1rt1 s GLU 248 N -0.66 4.37 0.20 4.56 2.56 -1.26 -5.05 118.70 123.42 1rt1 s GLU 248 Ca 0.45 0.83 0.00 0.00 0.00 0.00 0.00 54.97 56.25 1rt1 s GLU 248 Cb -0.26 -3.49 -0.04 0.00 2.00 0.00 0.00 34.13 32.34 1rt1 s GLU 248 CO 0.33 -0.04 0.08 0.15 -0.56 0.00 0.00 175.26 175.22 1rt1 s LYS 249 N 1.19 1.19 0.00 4.30 1.02 -1.26 -5.04 119.74 121.15 1rt1 s LYS 249 Ca 0.35 -1.61 0.05 0.00 0.02 0.00 0.00 55.97 54.78 1rt1 s LYS 249 Cb -0.17 0.01 0.14 0.00 -0.52 0.00 0.00 37.83 37.29 1rt1 s LYS 249 CO 0.15 -0.29 1.06 -0.25 -0.92 0.00 0.00 175.35 175.10 1rt1 n ASP 250 N -0.29 2.31 -3.24 2.83 8.00 -1.26 -4.91 116.55 120.00 1rt1 n ASP 250 Ca -0.02 -1.88 -0.03 0.00 0.71 0.00 0.00 54.79 53.58 1rt1 n ASP 250 Cb 0.65 -0.10 -0.04 0.00 -0.02 0.00 0.00 41.12 41.62 1rt1 n ASP 250 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1rt1 s SER 251 N -0.92 -0.59 -0.30 -2.24 0.15 -1.26 -5.07 113.70 103.47 1rt1 s SER 251 Ca 0.11 0.20 -0.08 0.00 0.70 0.00 0.00 55.95 56.88 1rt1 s SER 251 Cb 0.06 1.60 0.00 0.00 -1.71 0.00 0.00 66.02 65.98 1rt1 s SER 251 CO 0.08 -0.31 0.11 0.26 1.20 0.00 0.00 173.24 174.59 1rt1 s TRP 252 N 2.69 3.16 0.88 3.44 0.52 -1.26 -5.05 118.94 123.33 1rt1 s TRP 252 Ca 0.13 -0.82 -0.13 0.00 0.02 0.00 0.00 56.10 55.30 1rt1 s TRP 252 Cb -0.13 -2.30 0.14 0.00 -1.15 0.00 0.00 33.47 30.03 1rt1 s TRP 252 CO -0.24 -0.53 1.24 0.95 0.02 0.00 0.00 176.95 178.39 1rt1 s THR 253 N 1.55 2.02 0.18 2.01 -4.23 -1.26 -0.76 115.64 115.14 1rt1 s THR 253 Ca 0.03 -0.03 -0.10 0.00 -1.18 0.00 0.00 61.69 60.41 1rt1 s THR 253 Cb -0.17 -2.99 0.08 0.00 1.34 0.00 0.00 72.50 70.76 1rt1 s THR 253 CO 0.04 0.00 1.69 0.58 -0.54 0.00 0.00 174.62 176.39 1rt1 h VAL 254 N -1.31 1.25 -0.33 2.29 2.07 -0.52 -2.07 116.25 117.63 1rt1 h VAL 254 Ca -0.45 -0.93 0.07 0.00 0.82 0.00 0.00 66.70 66.22 1rt1 h VAL 254 Cb 1.28 0.67 -0.07 0.00 -1.52 0.00 0.00 31.29 31.65 1rt1 h VAL 254 CO 0.51 0.35 -0.12 0.78 0.02 0.00 0.00 177.57 179.11 1rt1 h ASN 255 N 0.91 -0.41 -0.89 0.57 -0.26 -1.70 0.23 115.58 114.02 1rt1 h ASN 255 Ca 0.19 0.11 0.04 0.00 -0.56 0.00 0.00 56.30 56.09 1rt1 h ASN 255 Cb 0.36 0.25 -0.05 0.00 -1.06 0.00 0.00 38.32 37.82 1rt1 h ASN 255 CO 0.00 -0.15 0.58 0.44 -1.06 0.00 0.00 177.43 177.25 1rt1 h ASP 256 N -0.05 0.95 0.09 5.81 3.32 -1.79 0.20 116.42 124.95 1rt1 h ASP 256 Ca 0.17 -0.01 -0.18 0.00 0.02 0.00 0.00 57.03 57.03 1rt1 h ASP 256 Cb 0.30 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 1rt1 h ASP 256 CO -0.37 0.65 -0.67 0.40 -1.72 0.00 0.00 179.24 177.53 1rt1 h ILE 257 N 1.10 1.34 -0.10 0.35 2.04 -0.53 -1.08 117.51 120.62 1rt1 h ILE 257 Ca 0.36 -1.97 -0.06 0.00 1.00 0.00 0.00 64.86 64.19 1rt1 h ILE 257 Cb 0.05 1.95 -0.00 0.00 -0.74 0.00 0.00 36.82 38.08 1rt1 h ILE 257 CO -0.11 0.61 -0.16 1.56 0.00 0.00 0.00 178.15 180.05 1rt1 h GLN 258 N 0.39 0.28 -0.69 2.37 4.20 0.13 0.17 115.11 121.96 1rt1 h GLN 258 Ca -0.02 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.51 1rt1 h GLN 258 Cb 1.24 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 29.00 1rt1 h GLN 258 CO 0.12 0.75 0.40 0.87 -0.67 0.00 0.00 178.83 180.30 1rt1 h LYS 259 N -0.16 0.94 0.29 1.46 1.79 -0.68 -0.99 116.57 119.21 1rt1 h LYS 259 Ca 0.01 -0.09 -0.01 0.00 -2.18 0.00 0.00 60.65 58.38 1rt1 h LYS 259 Cb 0.72 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1rt1 h LYS 259 CO 0.04 0.67 -0.14 1.25 -1.08 0.00 0.00 179.45 180.19 1rt1 h LEU 260 N 0.95 -0.33 -1.86 2.94 5.85 -1.06 -2.21 115.31 119.60 1rt1 h LEU 260 Ca 0.25 -0.19 0.18 0.00 0.84 0.00 0.00 57.88 58.95 1rt1 h LEU 260 Cb -0.01 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1rt1 h LEU 260 CO -0.04 0.05 0.48 0.58 -0.34 0.00 0.00 178.44 179.17 1rt1 h VAL 261 N -0.75 0.71 0.30 1.05 2.07 -0.44 -0.35 116.25 118.84 1rt1 h VAL 261 Ca -0.04 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1rt1 h VAL 261 Cb 0.50 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1rt1 h VAL 261 CO 0.06 0.02 -0.14 1.23 0.02 0.00 0.00 177.57 178.77 1rt1 h GLY 262 N 0.13 -0.42 -0.12 2.17 0.00 -0.94 -1.24 103.07 102.65 1rt1 h GLY 262 Ca 0.33 0.15 0.21 0.00 0.00 0.00 0.00 47.33 48.03 1rt1 h GLY 262 CO -0.04 -0.15 0.44 0.50 0.00 0.00 0.00 176.54 177.29 1rt1 h LYS 263 N -0.49 0.46 -0.39 4.80 1.57 -0.73 0.24 116.57 122.04 1rt1 h LYS 263 Ca -0.04 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1rt1 h LYS 263 Cb 0.31 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1rt1 h LYS 263 CO 0.07 0.30 0.23 -0.07 -0.57 0.00 0.00 179.45 179.41 1rt1 h LEU 264 N 0.47 0.47 -0.97 2.94 -0.00 -1.09 -2.04 115.31 115.09 1rt1 h LEU 264 Ca 0.56 -0.07 0.07 0.00 -0.00 0.00 0.00 57.88 58.44 1rt1 h LEU 264 Cb 1.03 -0.12 -0.07 0.00 -0.00 0.00 0.00 40.66 41.51 1rt1 h LEU 264 CO -0.49 0.40 0.62 -1.13 -0.00 0.00 0.00 178.44 177.84 1rt1 h ASN 265 N 0.50 1.00 -0.80 -0.43 -0.73 0.69 -0.32 115.58 115.49 1rt1 h ASN 265 Ca 0.14 0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.31 1rt1 h ASN 265 Cb 0.02 -0.20 -0.04 0.00 0.27 0.00 0.00 38.32 38.37 1rt1 h ASN 265 CO -0.02 0.63 0.46 -0.25 -0.37 0.00 0.00 177.43 177.87 1rt1 h TRP 266 N 1.13 1.09 0.00 0.67 2.91 -0.83 -2.68 115.95 118.24 1rt1 h TRP 266 Ca 0.42 -0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.39 1rt1 h TRP 266 Cb 0.18 -0.35 -0.00 0.00 -0.51 0.00 0.00 29.16 28.47 1rt1 h TRP 266 CO -0.01 0.75 -0.15 0.00 -1.03 0.00 0.00 178.44 177.99 1rt1 h ALA 267 N 1.38 1.05 0.00 2.65 0.00 -0.38 -2.87 119.26 121.09 1rt1 h ALA 267 Ca 0.29 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1rt1 h ALA 267 Cb 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1rt1 h ALA 267 CO -0.05 0.19 -0.08 0.77 0.00 0.00 0.00 179.25 180.09 1rt1 h SER 268 N 0.00 0.00 0.48 0.00 0.02 -1.02 0.48 113.55 113.52 1rt1 h SER 268 Ca -0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.79 1rt1 h SER 268 Cb 0.63 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 1rt1 h SER 268 CO 0.02 0.08 -0.67 1.56 -1.14 0.00 0.00 176.83 176.68 1rt1 h GLN 269 N 0.00 0.17 0.00 3.45 1.08 -1.62 -3.40 115.11 114.79 1rt1 h GLN 269 Ca -0.00 -0.13 -0.31 0.00 -1.45 0.00 0.00 58.65 56.76 1rt1 h GLN 269 Cb 0.30 0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.71 1rt1 h GLN 269 CO 0.01 0.77 -2.01 -0.89 -0.95 0.00 0.00 178.83 175.77 1rt1 n ILE 270 N -3.80 1.27 -3.08 2.54 5.41 -0.71 -2.47 119.36 118.52 1rt1 n ILE 270 Ca -0.02 -0.23 -0.39 0.00 1.00 0.00 0.00 62.75 63.11 1rt1 n ILE 270 Cb 0.66 -1.87 -0.05 0.00 -0.71 0.00 0.00 39.64 37.67 1rt1 n ILE 270 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1rt1 s TYR 271 N -2.46 3.70 -0.23 1.39 1.51 0.16 -4.94 117.35 116.47 1rt1 s TYR 271 Ca -0.30 1.33 -0.29 0.00 -1.01 0.00 0.00 57.07 56.80 1rt1 s TYR 271 Cb 0.11 -2.73 0.01 0.00 -0.11 0.00 0.00 41.96 39.23 1rt1 s TYR 271 CO 0.39 0.29 1.05 -2.14 -1.11 0.00 0.00 175.55 174.02 1rt1 s PRO 272 N -0.02 4.26 0.00 -1.71 0.02 -1.26 -4.05 135.00 132.23 1rt1 s PRO 272 Ca 0.35 1.37 0.00 0.00 0.02 0.00 0.00 61.00 62.74 1rt1 s PRO 272 Cb -0.19 -3.65 0.00 0.00 0.02 0.00 0.00 34.50 30.68 1rt1 s PRO 272 CO 0.20 -0.64 0.00 0.41 -0.33 0.00 0.00 177.00 176.64 1rt1 n GLY 273 N 3.34 2.53 3.56 0.52 0.00 -1.26 -5.03 105.19 108.84 1rt1 n GLY 273 Ca 0.12 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.65 1rt1 n GLY 273 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1rt1 n ILE 274 N -0.60 1.00 -3.92 -0.61 2.08 -1.26 -4.99 119.36 111.07 1rt1 n ILE 274 Ca 0.00 -0.25 -0.13 0.00 0.56 0.00 0.00 62.75 62.93 1rt1 n ILE 274 Cb 0.00 -0.71 -0.14 0.00 -0.75 0.00 0.00 39.64 38.04 1rt1 n ILE 274 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 1rt1 s LYS 275 N -0.49 0.07 -0.03 0.38 1.02 -1.26 -4.94 119.74 114.50 1rt1 s LYS 275 Ca 0.73 -0.02 0.04 0.00 0.02 0.00 0.00 55.97 56.74 1rt1 s LYS 275 Cb -0.88 -0.09 0.06 0.00 -0.52 0.00 0.00 37.83 36.40 1rt1 s LYS 275 CO 0.53 0.01 0.89 1.33 -0.92 0.00 0.00 175.35 177.20 1rt1 n VAL 276 N 3.12 0.60 -0.10 3.17 0.24 -1.26 -4.88 118.33 119.22 1rt1 n VAL 276 Ca -0.13 -0.68 -0.06 0.00 -2.04 0.00 0.00 64.34 61.43 1rt1 n VAL 276 Cb 0.59 0.48 0.01 0.00 -1.47 0.00 0.00 33.84 33.45 1rt1 n VAL 276 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1rt1 h ARG 277 N 0.00 0.15 0.00 7.34 2.43 -2.00 -2.51 114.38 119.79 1rt1 h ARG 277 Ca 0.00 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1rt1 h ARG 277 Cb 1.03 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.54 1rt1 h ARG 277 CO 0.00 0.10 -0.16 1.96 -1.51 0.00 0.00 179.97 180.36 1rt1 h GLN 278 N 0.16 0.00 -0.90 0.20 1.08 -1.89 -2.07 115.11 111.68 1rt1 h GLN 278 Ca 0.17 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 1rt1 h GLN 278 Cb 0.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 1rt1 h GLN 278 CO -0.24 0.16 0.00 1.28 -0.95 0.00 0.00 178.83 179.09 1rt1 n LEU 279 N -3.19 1.13 0.00 1.46 7.99 -0.94 -3.63 117.00 119.82 1rt1 n LEU 279 Ca 0.02 -0.57 0.00 0.00 -0.01 0.00 0.00 56.01 55.45 1rt1 n LEU 279 Cb 0.51 -0.43 0.00 0.00 -0.11 0.00 0.00 43.42 43.40 1rt1 n LEU 279 CO 0.34 0.25 0.00 1.17 -1.51 0.00 0.00 177.39 177.64 1rt1 n LYS 281 N 0.16 0.00 0.00 3.23 4.81 -0.78 -4.10 118.16 121.48 1rt1 n LYS 281 Ca 0.00 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.58 1rt1 n LYS 281 Cb 0.25 -0.45 0.67 0.00 0.02 0.00 0.00 35.03 35.52 1rt1 n LYS 281 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1rt1 n LEU 282 N 0.00 0.00 0.08 3.14 4.32 -1.24 -3.37 117.00 119.93 1rt1 n LEU 282 Ca 0.00 0.36 0.01 0.00 -0.02 0.00 0.00 56.01 56.36 1rt1 n LEU 282 Cb 0.00 -0.36 -0.04 0.00 -1.62 0.00 0.00 43.42 41.40 1rt1 n LEU 282 CO 0.00 -0.02 0.08 -0.07 -1.22 0.00 0.00 177.39 176.16 1rt1 h LEU 283 N 0.00 0.00 -9.11 2.23 4.07 -1.93 -3.47 115.31 107.10 1rt1 h LEU 283 Ca 0.00 0.00 -0.77 0.00 0.08 0.00 0.00 57.88 57.19 1rt1 h LEU 283 Cb 0.34 0.00 0.03 0.00 1.08 0.00 0.00 40.66 42.11 1rt1 h LEU 283 CO 0.00 0.57 0.58 0.54 -1.08 0.00 0.00 178.44 179.05 1rt1 n ARG 284 N -3.07 0.64 -2.26 1.13 1.74 -1.22 -2.10 116.66 111.52 1rt1 n ARG 284 Ca -0.04 0.23 -0.20 0.00 -0.77 0.00 0.00 57.85 57.08 1rt1 n ARG 284 Cb 0.80 -1.83 -0.02 0.00 -1.02 0.00 0.00 32.46 30.39 1rt1 n ARG 284 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rt1 n GLY 285 N 3.22 -0.11 3.76 -0.13 0.00 -1.26 -4.98 105.19 105.69 1rt1 n GLY 285 Ca 0.24 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1rt1 n GLY 285 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rt1 s THR 286 N -2.96 3.48 -1.84 2.61 -4.23 -0.89 -4.97 115.64 106.83 1rt1 s THR 286 Ca 0.00 1.49 0.18 0.00 -1.18 0.00 0.00 61.69 62.18 1rt1 s THR 286 Cb 0.00 -3.94 0.04 0.00 1.34 0.00 0.00 72.50 69.94 1rt1 s THR 286 CO 0.00 0.35 0.97 2.29 -0.54 0.00 0.00 174.62 177.69 1rt1 n LYS 287 N 1.16 1.58 -3.50 3.99 2.85 -1.26 -5.02 118.16 117.96 1rt1 n LYS 287 Ca -0.01 -1.08 -0.11 0.00 -1.05 0.00 0.00 58.31 56.05 1rt1 n LYS 287 Cb 0.45 -1.34 -0.03 0.00 -0.65 0.00 0.00 35.03 33.45 1rt1 n LYS 287 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1rt1 s ALA 288 N -1.92 -1.78 0.22 0.58 0.00 -1.26 -5.01 121.76 112.59 1rt1 s ALA 288 Ca 0.17 1.06 0.02 0.00 0.00 0.00 0.00 51.96 53.20 1rt1 s ALA 288 Cb 0.15 0.24 0.20 0.00 0.00 0.00 0.00 23.12 23.71 1rt1 s ALA 288 CO 0.39 -0.58 1.54 -0.07 0.00 0.00 0.00 175.76 177.04 1rt1 h LEU 289 N 2.29 0.40 -0.44 0.00 -0.00 -1.98 -2.80 115.31 112.79 1rt1 h LEU 289 Ca -0.25 -0.22 0.00 0.00 -0.00 0.00 0.00 57.88 57.41 1rt1 h LEU 289 Cb 1.22 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.77 1rt1 h LEU 289 CO 0.34 0.89 0.00 0.35 -0.00 0.00 0.00 178.44 180.02 1rt1 n THR 290 N -3.91 0.10 -2.25 0.22 -2.24 -1.26 -2.02 114.28 102.93 1rt1 n THR 290 Ca -0.03 -0.14 -0.42 0.00 -2.27 0.00 0.00 64.05 61.19 1rt1 n THR 290 Cb 0.61 -0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.81 1rt1 n THR 290 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1rt1 s GLU 291 N -1.90 4.37 -0.40 -0.78 2.12 -1.06 -4.75 118.70 116.31 1rt1 s GLU 291 Ca 0.24 1.99 -0.21 0.00 0.36 0.00 0.00 54.97 57.35 1rt1 s GLU 291 Cb 0.12 -3.26 0.01 0.00 0.26 0.00 0.00 34.13 31.27 1rt1 s GLU 291 CO 0.19 -0.33 0.66 0.08 -0.54 0.00 0.00 175.26 175.31 1rt1 s VAL 292 N 0.80 4.83 -0.20 3.70 1.01 -1.26 -0.68 120.40 128.60 1rt1 s VAL 292 Ca 0.61 0.36 -0.06 0.00 0.00 0.00 0.00 61.98 62.88 1rt1 s VAL 292 Cb -0.35 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 31.84 1rt1 s VAL 292 CO 0.32 -0.49 0.03 -0.63 0.00 0.00 0.00 175.10 174.34 1rt1 s ILE 293 N 2.83 4.29 0.29 2.22 1.09 0.06 -4.98 121.20 127.01 1rt1 s ILE 293 Ca 0.24 -0.20 -0.29 0.00 -1.10 0.00 0.00 60.65 59.30 1rt1 s ILE 293 Cb -0.14 -2.95 -0.10 0.00 -1.06 0.00 0.00 42.46 38.21 1rt1 s ILE 293 CO 0.18 0.42 1.18 -2.16 -0.10 0.00 0.00 174.94 174.45 1rt1 s PRO 294 N 0.89 4.54 -0.07 2.79 0.04 -1.26 -4.29 135.00 137.64 1rt1 s PRO 294 Ca 0.02 1.95 -0.30 0.00 0.04 0.00 0.00 61.00 62.71 1rt1 s PRO 294 Cb -0.14 -3.15 -0.02 0.00 0.04 0.00 0.00 34.50 31.23 1rt1 s PRO 294 CO 0.02 0.06 1.01 -0.51 0.04 0.00 0.00 177.00 177.63 1rt1 s LEU 295 N -1.49 4.29 1.19 -3.56 1.43 -1.26 -5.02 118.68 114.25 1rt1 s LEU 295 Ca 0.46 1.59 -0.16 0.00 -1.03 0.00 0.00 54.13 55.00 1rt1 s LEU 295 Cb -0.35 -3.56 0.28 0.00 0.03 0.00 0.00 46.19 42.59 1rt1 s LEU 295 CO 0.45 -0.40 1.04 0.42 0.23 0.00 0.00 176.35 178.08 1rt1 s THR 296 N 1.72 1.78 0.16 5.49 -4.23 -1.26 -4.72 115.64 114.58 1rt1 s THR 296 Ca 0.50 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.85 1rt1 s THR 296 Cb -0.20 -2.26 0.02 0.00 1.34 0.00 0.00 72.50 71.41 1rt1 s THR 296 CO 0.21 0.00 1.81 -0.08 -0.54 0.00 0.00 174.62 176.03 1rt1 h GLU 297 N -2.61 0.53 -0.15 3.99 4.81 -1.99 -1.48 114.58 117.69 1rt1 h GLU 297 Ca -0.54 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.65 1rt1 h GLU 297 Cb 1.33 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 1rt1 h GLU 297 CO 0.46 0.35 0.07 0.93 -0.73 0.00 0.00 179.01 180.09 1rt1 h GLU 298 N 0.55 0.21 0.13 1.92 3.07 -1.98 0.19 114.58 118.67 1rt1 h GLU 298 Ca 0.16 -0.02 -0.30 0.00 -0.50 0.00 0.00 59.36 58.70 1rt1 h GLU 298 Cb -0.04 -0.04 0.03 0.00 -0.84 0.00 0.00 28.75 27.86 1rt1 h GLU 298 CO -0.05 0.17 -1.26 0.00 -1.40 0.00 0.00 179.01 176.47 1rt1 h ALA 299 N 1.87 -0.02 -0.31 3.43 0.00 -1.75 -2.50 119.26 119.98 1rt1 h ALA 299 Ca 0.05 -0.78 0.04 0.00 0.00 0.00 0.00 54.91 54.23 1rt1 h ALA 299 Cb 0.03 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1rt1 h ALA 299 CO -0.01 0.68 0.08 1.49 0.00 0.00 0.00 179.25 181.50 1rt1 h GLU 300 N 0.26 0.20 0.87 0.00 4.57 -0.19 0.01 114.58 120.30 1rt1 h GLU 300 Ca -0.19 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 57.93 1rt1 h GLU 300 Cb 1.93 -0.05 0.01 0.00 -0.16 0.00 0.00 28.75 30.49 1rt1 h GLU 300 CO 0.24 0.13 -0.42 1.25 -1.18 0.00 0.00 179.01 179.04 1rt1 h LEU 301 N 0.21 -0.99 -1.17 1.64 5.85 -0.70 -2.10 115.31 118.05 1rt1 h LEU 301 Ca 0.14 0.03 0.11 0.00 0.84 0.00 0.00 57.88 59.01 1rt1 h LEU 301 Cb 0.13 0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.34 1rt1 h LEU 301 CO -0.16 -0.70 0.59 1.05 -0.34 0.00 0.00 178.44 178.88 1rt1 h GLU 302 N -1.18 0.84 -0.84 1.25 4.11 -1.35 0.28 114.58 117.69 1rt1 h GLU 302 Ca -0.12 -0.05 0.11 0.00 0.07 0.00 0.00 59.36 59.37 1rt1 h GLU 302 Cb 0.89 -0.19 -0.08 0.00 0.50 0.00 0.00 28.75 29.87 1rt1 h GLU 302 CO 0.20 0.56 0.48 1.25 0.07 0.00 0.00 179.01 181.56 1rt1 h LEU 303 N 0.87 0.66 -0.23 3.06 5.85 -0.82 0.37 115.31 125.07 1rt1 h LEU 303 Ca 0.44 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 59.14 1rt1 h LEU 303 Cb 0.50 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1rt1 h LEU 303 CO -0.21 0.36 -0.16 0.00 -0.34 0.00 0.00 178.44 178.09 1rt1 h ALA 304 N 1.48 0.33 -0.30 1.25 0.00 0.20 -1.40 119.26 120.82 1rt1 h ALA 304 Ca 0.42 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1rt1 h ALA 304 Cb 0.44 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1rt1 h ALA 304 CO -0.27 0.23 0.20 0.93 0.00 0.00 0.00 179.25 180.33 1rt1 h GLU 305 N 0.22 0.39 0.02 0.00 5.08 -0.42 -2.59 114.58 117.27 1rt1 h GLU 305 Ca 0.05 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1rt1 h GLU 305 Cb 0.68 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1rt1 h GLU 305 CO 0.04 0.26 -0.01 -0.91 -1.00 0.00 0.00 179.01 177.39 1rt1 h ASN 306 N 0.40 -0.02 -0.95 1.42 2.35 -0.56 -1.62 115.58 116.59 1rt1 h ASN 306 Ca 0.11 -0.38 0.22 0.00 -0.55 0.00 0.00 56.30 55.70 1rt1 h ASN 306 Cb -0.04 0.01 -0.08 0.00 0.05 0.00 0.00 38.32 38.26 1rt1 h ASN 306 CO -0.02 0.37 0.62 0.03 -1.65 0.00 0.00 177.43 176.78 1rt1 h ARG 307 N -0.42 0.42 0.35 0.81 3.08 -0.90 0.04 114.38 117.77 1rt1 h ARG 307 Ca -0.00 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1rt1 h ARG 307 Cb 0.40 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1rt1 h ARG 307 CO 0.00 0.28 -0.17 0.93 -1.07 0.00 0.00 179.97 179.94 1rt1 h GLU 308 N 0.43 -0.46 -0.77 0.04 5.08 -1.24 -3.07 114.58 114.59 1rt1 h GLU 308 Ca 0.51 0.03 0.13 0.00 -1.00 0.00 0.00 59.36 59.03 1rt1 h GLU 308 Cb 1.25 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 30.52 1rt1 h GLU 308 CO -0.22 -0.15 0.37 0.82 -1.00 0.00 0.00 179.01 178.82 1rt1 h ILE 309 N -0.98 0.75 0.00 3.13 2.04 -0.58 -0.84 117.51 121.03 1rt1 h ILE 309 Ca -0.05 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1rt1 h ILE 309 Cb 0.52 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1rt1 h ILE 309 CO 0.08 0.10 0.00 0.18 0.00 0.00 0.00 178.15 178.51 1rt1 n LEU 310 N -4.91 0.00 -1.62 1.44 4.77 -0.06 -1.70 117.00 114.92 1rt1 n LEU 310 Ca 0.14 0.36 -0.01 0.00 -0.03 0.00 0.00 56.01 56.47 1rt1 n LEU 310 Cb 0.37 -0.36 0.29 0.00 -2.33 0.00 0.00 43.42 41.39 1rt1 n LEU 310 CO 0.22 -0.24 0.91 0.29 -1.33 0.00 0.00 177.39 177.23 1rt1 n LYS 311 N -1.36 3.37 -3.78 3.23 5.02 -0.32 -4.74 118.16 119.58 1rt1 n LYS 311 Ca 0.04 -3.05 -0.34 0.00 -2.02 0.00 0.00 58.31 52.93 1rt1 n LYS 311 Cb 0.09 -2.08 -0.05 0.00 -0.02 0.00 0.00 35.03 32.97 1rt1 n LYS 311 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1rt1 s GLU 312 N -2.98 3.56 -1.24 1.97 2.12 -0.69 -5.03 118.70 116.41 1rt1 s GLU 312 Ca 0.51 -0.12 -0.15 0.00 0.36 0.00 0.00 54.97 55.56 1rt1 s GLU 312 Cb 0.41 -3.06 0.14 0.00 0.26 0.00 0.00 34.13 31.88 1rt1 s GLU 312 CO 0.11 0.64 1.54 -1.25 -0.54 0.00 0.00 175.26 175.75 1rt1 s PRO 313 N -1.89 4.06 -0.26 4.30 0.04 -1.26 -4.97 135.00 135.02 1rt1 s PRO 313 Ca 0.29 -2.40 -0.29 0.00 0.04 0.00 0.00 61.00 58.64 1rt1 s PRO 313 Cb -0.13 -5.22 0.00 0.00 0.04 0.00 0.00 34.50 29.19 1rt1 s PRO 313 CO 0.18 -1.93 1.19 0.14 0.04 0.00 0.00 177.00 176.62 1rt1 s VAL 314 N 2.44 4.35 0.48 -0.36 -7.23 -1.26 -5.00 120.40 113.83 1rt1 s VAL 314 Ca 0.47 1.59 0.04 0.00 -1.81 0.00 0.00 61.98 62.26 1rt1 s VAL 314 Cb -0.01 -4.20 -0.03 0.00 0.56 0.00 0.00 36.38 32.71 1rt1 s VAL 314 CO 0.03 -0.34 0.09 -1.38 -0.31 0.00 0.00 175.10 173.19 1rt1 s HIS 315 N 3.77 2.09 0.30 2.82 -3.43 -1.26 -3.14 115.29 116.45 1rt1 s HIS 315 Ca 0.51 -0.82 -0.08 0.00 -0.80 0.00 0.00 55.06 53.88 1rt1 s HIS 315 Cb -0.17 -1.75 0.00 0.00 -1.43 0.00 0.00 32.58 29.24 1rt1 s HIS 315 CO 0.16 0.17 0.49 0.20 -2.00 0.00 0.00 174.74 173.76 1rt1 s GLY 316 N -3.90 1.01 0.34 -1.38 0.00 0.22 -4.81 107.32 98.79 1rt1 s GLY 316 Ca 0.22 -1.20 0.08 0.00 0.00 0.00 0.00 44.72 43.82 1rt1 s GLY 316 CO 0.12 -0.81 0.12 0.14 0.00 0.00 0.00 173.10 172.67 1rt1 s VAL 317 N -3.41 2.98 0.40 1.40 1.01 -0.00 -2.41 120.40 120.37 1rt1 s VAL 317 Ca 0.26 -1.74 0.08 0.00 0.00 0.00 0.00 61.98 60.58 1rt1 s VAL 317 Cb -0.01 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 1rt1 s VAL 317 CO 0.15 -0.19 0.37 -0.31 0.00 0.00 0.00 175.10 175.12 1rt1 s TYR 318 N -2.44 2.76 0.04 5.22 2.02 -1.26 -4.54 117.35 119.15 1rt1 s TYR 318 Ca 0.37 -0.44 -0.30 0.00 -0.37 0.00 0.00 57.07 56.33 1rt1 s TYR 318 Cb -0.02 -2.10 -0.04 0.00 -0.40 0.00 0.00 41.96 39.40 1rt1 s TYR 318 CO 0.22 -0.06 1.06 -0.47 -1.57 0.00 0.00 175.55 174.73 1rt1 s TYR 319 N -2.43 3.59 -0.32 2.71 5.04 0.95 -4.84 117.35 122.06 1rt1 s TYR 319 Ca 0.47 1.57 0.03 0.00 -2.44 0.00 0.00 57.07 56.70 1rt1 s TYR 319 Cb -0.04 -3.23 0.09 0.00 0.35 0.00 0.00 41.96 39.13 1rt1 s TYR 319 CO 0.28 -0.46 0.01 0.34 -1.34 0.00 0.00 175.55 174.38 1rt1 s ASP 320 N 0.89 4.61 0.00 4.32 2.15 -1.26 -4.14 116.67 123.24 1rt1 s ASP 320 Ca 0.54 -1.91 0.00 0.00 0.43 0.00 0.00 52.55 51.61 1rt1 s ASP 320 Cb -0.25 -1.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.84 1rt1 s ASP 320 CO 0.29 -0.33 0.86 -2.65 -0.17 0.00 0.00 175.17 173.16 1rt1 n PRO 321 N 4.35 0.00 0.00 4.34 -0.02 -1.26 -1.57 135.00 140.84 1rt1 n PRO 321 Ca -0.01 0.37 0.13 0.00 -2.02 0.00 0.00 63.50 61.96 1rt1 n PRO 321 Cb 0.42 -1.57 0.22 0.00 -0.02 0.00 0.00 33.50 32.55 1rt1 n PRO 321 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1rt1 n SER 322 N -1.36 2.47 -4.58 2.55 3.41 -1.26 -4.94 113.62 109.92 1rt1 n SER 322 Ca 0.00 -1.80 -0.29 0.00 -0.26 0.00 0.00 58.87 56.52 1rt1 n SER 322 Cb 0.07 0.03 -0.10 0.00 -0.26 0.00 0.00 64.21 63.95 1rt1 n SER 322 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1rt1 s LYS 323 N -2.04 2.14 0.55 4.33 1.02 -0.61 -5.11 119.74 120.01 1rt1 s LYS 323 Ca 0.30 -1.08 -0.21 0.00 0.02 0.00 0.00 55.97 55.00 1rt1 s LYS 323 Cb 0.20 -2.28 -0.05 0.00 -0.52 0.00 0.00 37.83 35.18 1rt1 s LYS 323 CO 0.33 0.49 1.29 -0.25 -0.92 0.00 0.00 175.35 176.29 1rt1 n ASP 324 N 0.49 2.34 -4.42 2.83 8.00 -1.26 -4.94 116.55 119.59 1rt1 n ASP 324 Ca -0.13 0.96 -0.35 0.00 0.71 0.00 0.00 54.79 55.98 1rt1 n ASP 324 Cb 0.53 -1.54 -0.13 0.00 -0.02 0.00 0.00 41.12 39.96 1rt1 n ASP 324 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1rt1 s LEU 325 N -3.10 3.19 0.03 0.64 0.20 -1.26 -4.14 118.68 114.23 1rt1 s LEU 325 Ca 0.72 -0.24 0.04 0.00 0.69 0.00 0.00 54.13 55.35 1rt1 s LEU 325 Cb -0.43 -1.81 -0.02 0.00 -0.43 0.00 0.00 46.19 43.51 1rt1 s LEU 325 CO 0.49 0.05 -0.12 -0.63 -0.29 0.00 0.00 176.35 175.84 1rt1 s ILE 326 N 1.10 0.98 -0.08 6.68 1.01 0.37 -1.35 121.20 129.91 1rt1 s ILE 326 Ca 0.02 -0.85 -0.01 0.00 0.00 0.00 0.00 60.65 59.81 1rt1 s ILE 326 Cb -0.14 -0.88 0.03 0.00 0.01 0.00 0.00 42.46 41.47 1rt1 s ILE 326 CO 0.01 0.03 -0.03 0.00 0.00 0.00 0.00 174.94 174.96 1rt1 s ALA 327 N -0.73 0.84 0.02 9.38 0.00 -0.43 -0.91 121.76 129.93 1rt1 s ALA 327 Ca 0.01 -0.21 0.04 0.00 0.00 0.00 0.00 51.96 51.80 1rt1 s ALA 327 Cb -0.07 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.29 1rt1 s ALA 327 CO 0.01 -0.36 -0.07 -2.00 0.00 0.00 0.00 175.76 173.34 1rt1 s GLU 328 N 1.71 2.51 0.04 0.00 2.12 -0.82 -1.57 118.70 122.69 1rt1 s GLU 328 Ca 0.02 -0.76 0.07 0.00 0.36 0.00 0.00 54.97 54.66 1rt1 s GLU 328 Cb -0.13 -2.48 -0.02 0.00 0.26 0.00 0.00 34.13 31.76 1rt1 s GLU 328 CO -0.05 0.59 -0.19 0.42 -0.54 0.00 0.00 175.26 175.49 1rt1 s ILE 329 N -1.04 1.53 -0.03 -3.70 1.01 -1.03 -2.25 121.20 115.70 1rt1 s ILE 329 Ca 0.18 -1.14 0.04 0.00 0.00 0.00 0.00 60.65 59.72 1rt1 s ILE 329 Cb -0.11 -1.34 -0.00 0.00 0.01 0.00 0.00 42.46 41.02 1rt1 s ILE 329 CO 0.09 0.16 -0.13 -1.10 0.00 0.00 0.00 174.94 173.96 1rt1 s GLN 330 N -1.16 1.24 -0.44 2.79 1.11 0.94 -4.19 119.66 119.96 1rt1 s GLN 330 Ca 0.06 -0.45 -0.26 0.00 0.01 0.00 0.00 55.36 54.72 1rt1 s GLN 330 Cb -0.09 -1.14 0.02 0.00 -1.01 0.00 0.00 33.01 30.80 1rt1 s GLN 330 CO 0.02 0.21 0.96 0.21 0.01 0.00 0.00 175.29 176.69 1rt1 s LYS 331 N -0.01 3.66 -0.97 2.91 2.20 -1.26 -0.38 119.74 125.89 1rt1 s LYS 331 Ca -0.01 0.35 -0.04 0.00 -0.36 0.00 0.00 55.97 55.92 1rt1 s LYS 331 Cb -0.08 -3.89 0.25 0.00 -1.51 0.00 0.00 37.83 32.60 1rt1 s LYS 331 CO 0.01 -1.16 0.97 0.94 -0.36 0.00 0.00 175.35 175.74 1rt1 n GLN 332 N 7.15 3.12 0.00 4.03 7.27 0.79 -4.68 117.38 135.07 1rt1 n GLN 332 Ca 0.07 -4.50 0.00 0.00 0.07 0.00 0.00 57.00 52.65 1rt1 n GLN 332 Cb 0.48 -2.45 0.00 0.00 2.41 0.00 0.00 30.24 30.68 1rt1 n GLN 332 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1rt1 n GLY 333 N 2.20 -0.04 3.68 1.69 0.00 -1.26 -4.24 105.19 107.22 1rt1 n GLY 333 Ca 0.23 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 1rt1 n GLY 333 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1rt1 s GLN 334 N -3.08 4.21 0.00 1.61 -2.07 -1.26 -2.22 119.66 116.85 1rt1 s GLN 334 Ca 0.00 2.22 0.00 0.00 -1.82 0.00 0.00 55.36 55.76 1rt1 s GLN 334 Cb 0.00 -3.75 0.00 0.00 -1.09 0.00 0.00 33.01 28.17 1rt1 s GLN 334 CO 0.00 -0.75 0.00 0.41 -1.32 0.00 0.00 175.29 173.63 1rt1 n GLY 335 N 4.00 1.20 3.34 2.60 0.00 -1.26 -4.90 105.19 110.16 1rt1 n GLY 335 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1rt1 n GLY 335 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rt1 s GLN 336 N -0.31 2.74 0.00 1.61 -0.21 -0.94 -3.45 119.66 119.10 1rt1 s GLN 336 Ca 0.00 -0.80 0.04 0.00 0.02 0.00 0.00 55.36 54.62 1rt1 s GLN 336 Cb 0.00 -2.33 -0.01 0.00 1.00 0.00 0.00 33.01 31.67 1rt1 s GLN 336 CO 0.00 0.40 -0.11 -1.58 -2.12 0.00 0.00 175.29 171.88 1rt1 s TRP 337 N -0.18 1.01 0.12 0.91 0.52 -1.17 -0.15 118.94 120.01 1rt1 s TRP 337 Ca -0.02 -0.23 0.10 0.00 0.02 0.00 0.00 56.10 55.97 1rt1 s TRP 337 Cb -0.14 -0.64 -0.04 0.00 -1.15 0.00 0.00 33.47 31.51 1rt1 s TRP 337 CO 0.03 -0.01 -0.21 0.95 0.02 0.00 0.00 176.95 177.74 1rt1 s THR 338 N -0.42 2.65 0.07 2.01 -4.23 0.49 -1.28 115.64 114.93 1rt1 s THR 338 Ca 0.03 -1.58 -0.15 0.00 -1.18 0.00 0.00 61.69 58.81 1rt1 s THR 338 Cb -0.05 -2.20 0.03 0.00 1.34 0.00 0.00 72.50 71.61 1rt1 s THR 338 CO -0.00 0.10 0.34 -0.72 -0.54 0.00 0.00 174.62 173.81 1rt1 s TYR 339 N -1.11 -0.14 -0.14 3.99 -0.85 -0.58 -0.04 117.35 118.48 1rt1 s TYR 339 Ca 0.17 -0.04 -0.08 0.00 -0.52 0.00 0.00 57.07 56.60 1rt1 s TYR 339 Cb -0.10 0.15 0.05 0.00 0.38 0.00 0.00 41.96 42.44 1rt1 s TYR 339 CO 0.09 -0.57 0.33 1.14 -1.52 0.00 0.00 175.55 175.02 1rt1 s GLN 340 N -2.97 0.31 -0.19 -3.49 0.00 -0.95 -1.60 119.66 110.77 1rt1 s GLN 340 Ca -0.02 0.65 -0.05 0.00 -0.00 0.00 0.00 55.36 55.93 1rt1 s GLN 340 Cb 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 33.01 32.94 1rt1 s GLN 340 CO -0.06 -0.15 0.00 0.42 0.00 0.00 0.00 175.29 175.50 1rt1 s ILE 341 N 1.23 4.08 0.35 3.63 1.01 0.10 -1.95 121.20 129.65 1rt1 s ILE 341 Ca -0.09 -0.28 0.01 0.00 0.00 0.00 0.00 60.65 60.30 1rt1 s ILE 341 Cb -0.09 -2.83 -0.00 0.00 0.01 0.00 0.00 42.46 39.55 1rt1 s ILE 341 CO -0.10 0.45 0.44 0.00 0.00 0.00 0.00 174.94 175.73 1rt1 n TYR 342 N 3.96 -1.28 0.00 3.97 4.11 -0.09 -1.32 117.16 126.50 1rt1 n TYR 342 Ca -0.17 -2.54 0.00 0.00 -0.00 0.00 0.00 57.90 55.19 1rt1 n TYR 342 Cb 0.52 0.49 0.00 0.00 -0.00 0.00 0.00 39.34 40.35 1rt1 n TYR 342 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.86 177.90 1rt1 n GLN 343 N -0.61 0.68 -5.09 -3.48 6.02 -1.26 -0.48 117.38 113.18 1rt1 n GLN 343 Ca 0.03 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.71 1rt1 n GLN 343 Cb 0.60 -0.91 -0.17 0.00 1.02 0.00 0.00 30.24 30.79 1rt1 n GLN 343 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 1rt1 s GLU 344 N -1.81 2.77 0.08 -1.09 1.03 -1.26 -4.66 118.70 113.77 1rt1 s GLU 344 Ca 0.00 -0.78 -0.31 0.00 0.03 0.00 0.00 54.97 53.90 1rt1 s GLU 344 Cb 0.00 -2.12 -0.17 0.00 -0.80 0.00 0.00 34.13 31.04 1rt1 s GLU 344 CO 0.00 0.15 0.74 -2.30 -1.33 0.00 0.00 175.26 172.52 1rt1 n PRO 345 N 3.58 0.00 -0.49 -4.83 -0.02 -1.26 -1.55 135.00 130.43 1rt1 n PRO 345 Ca -0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 1rt1 n PRO 345 Cb 0.53 -1.16 0.00 0.00 -0.02 0.00 0.00 33.50 32.85 1rt1 n PRO 345 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1rt1 n PHE 346 N 0.74 0.00 -3.62 6.00 3.72 -1.26 -4.90 117.46 118.14 1rt1 n PHE 346 Ca 0.17 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.18 1rt1 n PHE 346 Cb 0.14 -0.90 -0.08 0.00 -0.94 0.00 0.00 39.48 37.70 1rt1 n PHE 346 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1rt1 s LYS 347 N -0.48 2.63 0.31 -1.08 1.02 -0.60 -5.05 119.74 116.48 1rt1 s LYS 347 Ca 0.00 -2.22 -0.19 0.00 0.02 0.00 0.00 55.97 53.58 1rt1 s LYS 347 Cb 0.00 -3.87 -0.09 0.00 -0.52 0.00 0.00 37.83 33.35 1rt1 s LYS 347 CO 0.00 -1.18 0.79 -0.80 -0.92 0.00 0.00 175.35 173.24 1rt1 s ASN 348 N 1.59 6.96 -0.24 2.83 0.01 -1.26 -3.97 114.94 120.86 1rt1 s ASN 348 Ca 0.13 1.46 0.04 0.00 -0.71 0.00 0.00 52.86 53.77 1rt1 s ASN 348 Cb -0.21 -2.44 -0.19 0.00 0.41 0.00 0.00 41.25 38.83 1rt1 s ASN 348 CO -0.04 -0.13 -0.14 0.18 -1.51 0.00 0.00 177.10 175.46 1rt1 n LEU 349 N 0.07 2.54 -3.53 0.60 4.77 -0.44 -0.82 117.00 120.20 1rt1 n LEU 349 Ca 0.02 -0.09 -0.18 0.00 -0.03 0.00 0.00 56.01 55.73 1rt1 n LEU 349 Cb 0.52 -0.73 -0.06 0.00 -2.33 0.00 0.00 43.42 40.82 1rt1 n LEU 349 CO 0.42 0.87 0.44 -0.75 -1.33 0.00 0.00 177.39 177.03 1rt1 s LYS 350 N -2.52 1.05 0.24 3.23 2.20 -0.97 -4.21 119.74 118.76 1rt1 s LYS 350 Ca -0.30 0.27 0.01 0.00 -0.36 0.00 0.00 55.97 55.59 1rt1 s LYS 350 Cb 0.08 0.50 -0.04 0.00 -1.51 0.00 0.00 37.83 36.86 1rt1 s LYS 350 CO 0.64 -0.32 0.13 0.95 -0.36 0.00 0.00 175.35 176.39 1rt1 s THR 351 N -1.15 0.25 0.00 3.43 -4.23 -1.26 0.01 115.64 112.69 1rt1 s THR 351 Ca -0.11 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.40 1rt1 s THR 351 Cb -0.00 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.28 1rt1 s THR 351 CO 0.10 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 1rt1 n GLY 352 N -0.39 0.90 3.21 3.99 0.00 -0.63 -4.75 105.19 107.51 1rt1 n GLY 352 Ca 0.01 -1.07 -0.12 0.00 0.00 0.00 0.00 46.02 44.85 1rt1 n GLY 352 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rt1 s LYS 353 N -2.00 0.70 -0.21 1.61 -2.85 -1.26 -1.53 119.74 114.21 1rt1 s LYS 353 Ca 0.00 -0.45 -0.05 0.00 -1.00 0.00 0.00 55.97 54.46 1rt1 s LYS 353 Cb 0.00 0.30 -0.03 0.00 -2.06 0.00 0.00 37.83 36.04 1rt1 s LYS 353 CO 0.00 -0.21 0.01 0.71 0.10 0.00 0.00 175.35 175.97 1rt1 s TYR 354 N -2.12 3.06 0.81 1.78 2.02 -0.40 -4.95 117.35 117.55 1rt1 s TYR 354 Ca -0.08 -0.42 -0.14 0.00 -0.37 0.00 0.00 57.07 56.06 1rt1 s TYR 354 Cb -0.03 -2.10 0.03 0.00 -0.40 0.00 0.00 41.96 39.46 1rt1 s TYR 354 CO -0.01 -0.23 0.81 0.00 -1.57 0.00 0.00 175.55 174.55 1rt1 n ALA 355 N 4.28 -1.08 -1.59 3.71 0.00 -1.26 -3.03 120.51 121.54 1rt1 n ALA 355 Ca -0.17 -0.36 -0.25 0.00 0.00 0.00 0.00 53.44 52.65 1rt1 n ALA 355 Cb 0.52 -2.02 -0.05 0.00 0.00 0.00 0.00 19.45 17.90 1rt1 n ALA 355 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1rt1 s ARG 356 N -3.56 1.89 -1.00 0.00 6.06 -1.24 -4.68 118.95 116.41 1rt1 s ARG 356 Ca 0.67 0.91 -0.23 0.00 -2.50 0.00 0.00 55.73 54.58 1rt1 s ARG 356 Cb -0.29 -4.69 -0.02 0.00 0.06 0.00 0.00 34.95 30.01 1rt1 s ARG 356 CO 0.57 -3.82 1.81 1.41 -2.50 0.00 0.00 175.30 172.77 1rt1 s MET 357 N 8.49 2.90 -1.08 5.12 -2.45 -1.22 -4.91 119.30 126.16 1rt1 s MET 357 Ca 0.94 -0.74 -0.25 0.00 -1.25 0.00 0.00 55.69 54.39 1rt1 s MET 357 Cb -0.15 -5.20 -0.14 0.00 1.25 0.00 0.00 34.83 30.60 1rt1 s MET 357 CO 0.17 -3.10 2.04 -0.98 1.05 0.00 0.00 175.02 174.21 1rt1 s ARG 358 N 6.23 1.95 0.55 4.11 3.03 -1.26 -4.95 118.95 128.60 1rt1 s ARG 358 Ca 0.63 -0.65 0.04 0.00 2.03 0.00 0.00 55.73 57.78 1rt1 s ARG 358 Cb -0.03 -5.09 0.05 0.00 -1.03 0.00 0.00 34.95 28.85 1rt1 s ARG 358 CO -0.00 -4.50 0.76 0.20 -1.13 0.00 0.00 175.30 170.62 1rt1 s GLY 359 N 7.81 1.83 0.49 3.88 0.00 -1.26 -5.02 107.32 115.05 1rt1 s GLY 359 Ca 0.75 -1.62 0.25 0.00 0.00 0.00 0.00 44.72 44.11 1rt1 s GLY 359 CO 0.13 -1.29 1.99 0.00 0.00 0.00 0.00 173.10 173.93 1rt1 h ALA 360 N 0.14 1.22 0.00 3.20 0.00 -1.92 -3.24 119.26 118.66 1rt1 h ALA 360 Ca -0.39 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1rt1 h ALA 360 Cb 1.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1rt1 h ALA 360 CO 0.46 0.21 0.00 -2.39 0.00 0.00 0.00 179.25 177.53 1rt1 n HIS 361 N -3.61 0.00 -2.17 0.00 1.44 -1.26 -0.98 115.22 108.65 1rt1 n HIS 361 Ca -0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.70 1rt1 n HIS 361 Cb 0.30 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.41 1rt1 n HIS 361 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1rt1 n THR 362 N 0.00 0.00 -3.81 0.61 -2.24 -0.75 -4.96 114.28 103.14 1rt1 n THR 362 Ca 0.00 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 1rt1 n THR 362 Cb 0.00 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 1rt1 n THR 362 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1rt1 s ASN 363 N 1.22 -0.15 0.14 3.42 2.20 -1.26 0.14 114.94 120.65 1rt1 s ASN 363 Ca 0.00 -0.60 -0.18 0.00 -0.94 0.00 0.00 52.86 51.14 1rt1 s ASN 363 Cb 0.00 0.52 -0.01 0.00 -2.00 0.00 0.00 41.25 39.75 1rt1 s ASN 363 CO 0.00 -0.97 1.78 0.44 -2.94 0.00 0.00 177.10 175.40 1rt1 h ASP 364 N 2.34 0.26 -0.62 3.54 3.32 -1.95 -1.21 116.42 122.10 1rt1 h ASP 364 Ca -0.30 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.75 1rt1 h ASP 364 Cb 1.25 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.72 1rt1 h ASP 364 CO 0.42 0.19 0.37 0.58 -1.72 0.00 0.00 179.24 179.09 1rt1 h VAL 365 N 0.33 1.18 -0.48 -1.35 2.07 -1.97 1.02 116.25 117.06 1rt1 h VAL 365 Ca 0.11 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1rt1 h VAL 365 Cb 0.01 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 1rt1 h VAL 365 CO -0.06 0.19 0.29 0.50 0.02 0.00 0.00 177.57 178.51 1rt1 h LYS 366 N 0.85 0.65 -0.15 1.57 1.63 -1.95 0.18 116.57 119.35 1rt1 h LYS 366 Ca 0.22 -0.06 -0.08 0.00 -0.85 0.00 0.00 60.65 59.88 1rt1 h LYS 366 Cb -0.02 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.47 1rt1 h LYS 366 CO -0.04 0.48 -0.27 1.96 -3.45 0.00 0.00 179.45 178.13 1rt1 h GLN 367 N 0.64 0.28 -0.19 1.90 4.20 -0.09 -0.65 115.11 121.20 1rt1 h GLN 367 Ca 0.17 -0.10 -0.15 0.00 0.06 0.00 0.00 58.65 58.63 1rt1 h GLN 367 Cb -0.00 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1rt1 h GLN 367 CO -0.03 0.54 -0.50 1.25 -0.67 0.00 0.00 178.83 179.41 1rt1 h LEU 368 N 0.25 0.58 -0.95 1.46 6.46 0.17 -1.66 115.31 121.61 1rt1 h LEU 368 Ca 0.04 -0.29 -0.04 0.00 -0.12 0.00 0.00 57.88 57.47 1rt1 h LEU 368 Cb 0.61 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 40.35 1rt1 h LEU 368 CO 0.04 0.98 0.31 0.74 -0.62 0.00 0.00 178.44 179.90 1rt1 h THR 369 N 0.42 1.24 -0.20 1.05 2.02 0.26 -0.87 112.91 116.84 1rt1 h THR 369 Ca 0.02 -0.73 -0.20 0.00 0.77 0.00 0.00 66.41 66.27 1rt1 h THR 369 Cb 1.02 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1rt1 h THR 369 CO 0.09 0.30 -0.66 -0.33 0.37 0.00 0.00 175.52 175.29 1rt1 h GLU 370 N 1.05 0.75 -0.62 6.66 5.08 -0.70 -1.87 114.58 124.93 1rt1 h GLU 370 Ca 0.25 -0.54 -0.08 0.00 -1.00 0.00 0.00 59.36 57.98 1rt1 h GLU 370 Cb 0.17 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1rt1 h GLU 370 CO -0.03 1.16 0.07 0.00 -1.00 0.00 0.00 179.01 179.22 1rt1 h ALA 371 N 0.70 0.83 -0.93 3.43 0.00 -1.06 -1.51 119.26 120.71 1rt1 h ALA 371 Ca -0.02 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.62 1rt1 h ALA 371 Cb 1.27 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 1rt1 h ALA 371 CO 0.14 0.61 0.61 0.28 0.00 0.00 0.00 179.25 180.89 1rt1 h VAL 372 N 0.95 1.24 -0.12 0.00 2.07 -1.05 -1.49 116.25 117.86 1rt1 h VAL 372 Ca 0.18 -0.45 -0.11 0.00 0.82 0.00 0.00 66.70 67.15 1rt1 h VAL 372 Cb 0.47 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1rt1 h VAL 372 CO 0.02 0.23 -0.35 0.06 0.02 0.00 0.00 177.57 177.55 1rt1 h GLN 373 N 1.27 0.45 -0.77 1.57 -0.00 -0.95 -1.23 115.11 115.45 1rt1 h GLN 373 Ca 0.34 -0.32 0.06 0.00 -0.00 0.00 0.00 58.65 58.73 1rt1 h GLN 373 Cb -0.14 0.05 -0.06 0.00 -0.00 0.00 0.00 27.48 27.34 1rt1 h GLN 373 CO -0.07 0.94 0.45 0.87 -0.00 0.00 0.00 178.83 181.02 1rt1 h LYS 374 N 0.03 0.80 -0.01 0.06 1.57 -1.16 0.82 116.57 118.68 1rt1 h LYS 374 Ca -0.01 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1rt1 h LYS 374 Cb 0.97 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.10 1rt1 h LYS 374 CO 0.08 0.53 0.01 0.82 -0.57 0.00 0.00 179.45 180.31 1rt1 h ILE 375 N 0.83 1.09 -0.66 1.86 2.04 -1.24 -1.30 117.51 120.12 1rt1 h ILE 375 Ca 0.34 -0.25 0.09 0.00 1.00 0.00 0.00 64.86 66.04 1rt1 h ILE 375 Cb 0.19 1.24 -0.07 0.00 -0.74 0.00 0.00 36.82 37.44 1rt1 h ILE 375 CO -0.18 0.07 0.30 0.74 0.00 0.00 0.00 178.15 179.08 1rt1 h THR 376 N -0.09 0.83 -0.67 -0.27 2.02 -0.35 0.17 112.91 114.56 1rt1 h THR 376 Ca 0.00 -0.18 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 1rt1 h THR 376 Cb 0.10 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 66.74 1rt1 h THR 376 CO -0.00 0.10 0.42 0.74 0.37 0.00 0.00 175.52 177.14 1rt1 h THR 377 N 0.53 1.19 0.16 3.16 2.02 -0.63 -0.91 112.91 118.42 1rt1 h THR 377 Ca 0.33 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 1rt1 h THR 377 Cb 0.35 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1rt1 h THR 377 CO -0.27 0.19 -0.12 -0.33 0.37 0.00 0.00 175.52 175.36 1rt1 h GLU 378 N 0.91 -0.27 -0.93 6.66 5.08 0.09 -2.72 114.58 123.40 1rt1 h GLU 378 Ca 0.24 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.63 1rt1 h GLU 378 Cb -0.05 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 1rt1 h GLU 378 CO -0.05 -0.18 0.61 0.77 -1.00 0.00 0.00 179.01 179.16 1rt1 h SER 379 N -0.28 1.08 -0.31 1.42 0.02 -0.45 -0.45 113.55 114.58 1rt1 h SER 379 Ca -0.01 -0.03 0.03 0.00 -0.84 0.00 0.00 61.79 60.94 1rt1 h SER 379 Cb 0.25 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 1rt1 h SER 379 CO -0.01 0.79 0.13 0.40 -1.14 0.00 0.00 176.83 177.00 1rt1 h ILE 380 N 1.27 0.95 0.24 3.27 1.08 -0.98 0.22 117.51 123.56 1rt1 h ILE 380 Ca 0.34 -0.10 -0.01 0.00 -0.39 0.00 0.00 64.86 64.70 1rt1 h ILE 380 Cb -0.13 0.65 0.00 0.00 -3.07 0.00 0.00 36.82 34.26 1rt1 h ILE 380 CO -0.07 0.05 -0.12 0.58 -0.69 0.00 0.00 178.15 177.90 1rt1 h VAL 381 N 0.28 0.79 0.25 1.67 2.07 -1.17 0.86 116.25 120.99 1rt1 h VAL 381 Ca 0.13 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1rt1 h VAL 381 Cb 0.08 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1rt1 h VAL 381 CO -0.12 0.04 -0.12 0.40 0.02 0.00 0.00 177.57 177.79 1rt1 h ILE 382 N -0.41 0.81 -0.00 4.57 1.08 -0.87 -3.38 117.51 119.30 1rt1 h ILE 382 Ca -0.03 -0.37 0.00 0.00 -0.39 0.00 0.00 64.86 64.06 1rt1 h ILE 382 Cb 0.32 1.02 0.00 0.00 -3.07 0.00 0.00 36.82 35.09 1rt1 h ILE 382 CO 0.05 0.08 -0.12 0.79 -0.69 0.00 0.00 178.15 178.26 1rt1 n TRP 383 N -5.15 0.00 -2.14 1.37 8.01 0.72 -4.67 117.44 115.58 1rt1 n TRP 383 Ca -0.09 0.00 -0.18 0.00 -1.31 0.00 0.00 57.50 55.91 1rt1 n TRP 383 Cb 0.21 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.49 1rt1 n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1rt1 n GLY 384 N 0.76 0.18 3.37 6.99 0.00 0.30 -4.96 105.19 111.83 1rt1 n GLY 384 Ca 0.02 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 1rt1 n GLY 384 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rt1 s LYS 385 N -4.56 1.16 -0.03 1.61 1.02 -1.25 -4.95 119.74 112.75 1rt1 s LYS 385 Ca 0.00 -0.86 0.03 0.00 0.02 0.00 0.00 55.97 55.16 1rt1 s LYS 385 Cb 0.00 0.46 -0.03 0.00 -0.52 0.00 0.00 37.83 37.74 1rt1 s LYS 385 CO 0.00 -0.46 -0.10 0.95 -0.92 0.00 0.00 175.35 174.82 1rt1 s THR 386 N -3.86 3.39 0.49 2.17 -4.23 -1.26 -3.31 115.64 109.03 1rt1 s THR 386 Ca 0.07 -0.72 -0.21 0.00 -1.18 0.00 0.00 61.69 59.66 1rt1 s THR 386 Cb 0.01 -2.40 -0.08 0.00 1.34 0.00 0.00 72.50 71.37 1rt1 s THR 386 CO -0.07 0.50 1.07 -2.84 -0.54 0.00 0.00 174.62 172.75 1rt1 s PRO 387 N -1.05 3.71 0.38 3.99 0.02 -1.26 -4.93 135.00 135.86 1rt1 s PRO 387 Ca 0.14 1.47 -0.25 0.00 0.02 0.00 0.00 61.00 62.38 1rt1 s PRO 387 Cb -0.11 -2.13 -0.09 0.00 0.02 0.00 0.00 34.50 32.19 1rt1 s PRO 387 CO 0.03 -0.53 1.10 0.15 -0.33 0.00 0.00 177.00 177.43 1rt1 s LYS 388 N -3.14 4.22 0.05 5.54 1.02 -0.46 -4.78 119.74 122.20 1rt1 s LYS 388 Ca 0.68 1.67 0.02 0.00 0.02 0.00 0.00 55.97 58.36 1rt1 s LYS 388 Cb -0.20 -2.72 -0.04 0.00 -0.52 0.00 0.00 37.83 34.36 1rt1 s LYS 388 CO 0.23 -0.13 0.06 -0.06 -0.92 0.00 0.00 175.35 174.54 1rt1 s PHE 389 N -1.48 3.17 -0.24 3.18 0.08 -0.60 -1.31 117.98 120.78 1rt1 s PHE 389 Ca 0.55 0.09 0.01 0.00 0.12 0.00 0.00 56.93 57.71 1rt1 s PHE 389 Cb -0.27 -1.64 0.06 0.00 -0.57 0.00 0.00 43.02 40.60 1rt1 s PHE 389 CO 0.34 0.52 -0.07 0.15 -0.10 0.00 0.00 175.22 176.05 1rt1 s LYS 390 N -2.13 1.78 -0.04 0.44 1.02 -0.61 0.92 119.74 121.12 1rt1 s LYS 390 Ca 0.26 -1.09 0.06 0.00 0.02 0.00 0.00 55.97 55.23 1rt1 s LYS 390 Cb -0.12 -2.67 -0.02 0.00 -0.52 0.00 0.00 37.83 34.50 1rt1 s LYS 390 CO 0.18 -0.59 -0.23 -0.51 -0.92 0.00 0.00 175.35 173.28 1rt1 s LEU 391 N 1.32 2.19 -0.50 3.17 1.43 -0.02 -2.45 118.68 123.80 1rt1 s LEU 391 Ca -0.07 -0.44 -0.07 0.00 -1.03 0.00 0.00 54.13 52.53 1rt1 s LEU 391 Cb -0.19 -1.39 -0.20 0.00 0.03 0.00 0.00 46.19 44.44 1rt1 s LEU 391 CO -0.06 0.30 3.21 -0.81 0.23 0.00 0.00 176.35 179.22 1rt1 n PRO 392 N 2.62 2.38 -3.72 1.29 -0.04 -1.25 -2.38 135.00 133.89 1rt1 n PRO 392 Ca -0.17 -1.31 -0.12 0.00 -0.04 0.00 0.00 63.50 61.87 1rt1 n PRO 392 Cb 0.52 -2.22 -0.12 0.00 -0.04 0.00 0.00 33.50 31.64 1rt1 n PRO 392 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1rt1 s ILE 393 N 1.55 -0.03 0.44 0.52 2.07 -1.26 0.51 121.20 125.00 1rt1 s ILE 393 Ca 0.63 0.10 -0.25 0.00 -1.41 0.00 0.00 60.65 59.72 1rt1 s ILE 393 Cb 0.25 -0.49 -0.08 0.00 0.13 0.00 0.00 42.46 42.27 1rt1 s ILE 393 CO -0.02 0.04 1.30 -1.10 -1.91 0.00 0.00 174.94 173.25 1rt1 s GLN 394 N 1.10 3.78 0.63 3.50 -0.21 -1.26 -4.71 119.66 122.49 1rt1 s GLN 394 Ca -0.08 2.13 0.42 0.00 0.02 0.00 0.00 55.36 57.86 1rt1 s GLN 394 Cb -0.08 -2.62 2.24 0.00 1.00 0.00 0.00 33.01 33.55 1rt1 s GLN 394 CO -0.08 -0.64 2.28 0.87 -2.12 0.00 0.00 175.29 175.60 1rt1 h LYS 395 N 2.36 0.00 0.11 2.91 1.79 -1.99 -1.81 116.57 119.95 1rt1 h LYS 395 Ca -0.50 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 57.69 1rt1 h LYS 395 Cb 1.26 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1rt1 h LYS 395 CO 0.61 0.00 -1.32 1.49 -1.08 0.00 0.00 179.45 179.15 1rt1 h GLU 396 N 0.00 0.23 -0.16 3.15 4.57 -1.99 -2.61 114.58 117.75 1rt1 h GLU 396 Ca 0.00 -0.39 -0.11 0.00 -1.18 0.00 0.00 59.36 57.69 1rt1 h GLU 396 Cb 0.04 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 1rt1 h GLU 396 CO 0.00 1.14 -0.36 1.15 -1.18 0.00 0.00 179.01 179.76 1rt1 h THR 397 N 0.06 1.29 -0.05 0.32 2.02 -1.71 -1.74 112.91 113.10 1rt1 h THR 397 Ca -0.16 -1.43 -0.22 0.00 0.77 0.00 0.00 66.41 65.37 1rt1 h THR 397 Cb 1.97 1.56 0.02 0.00 -1.74 0.00 0.00 68.15 69.95 1rt1 h THR 397 CO 0.18 0.44 -0.84 -0.25 0.37 0.00 0.00 175.52 175.42 1rt1 h TRP 398 N 0.30 0.94 -0.12 3.16 2.91 -1.51 -2.25 115.95 119.37 1rt1 h TRP 398 Ca 0.03 -0.48 -0.02 0.00 1.13 0.00 0.00 58.89 59.56 1rt1 h TRP 398 Cb 0.77 -0.12 -0.00 0.00 -0.51 0.00 0.00 29.16 29.30 1rt1 h TRP 398 CO 0.02 1.30 -0.00 1.49 -1.03 0.00 0.00 178.44 180.22 1rt1 h GLU 399 N 0.31 0.22 -0.43 2.65 4.57 -1.38 -0.83 114.58 119.69 1rt1 h GLU 399 Ca -0.09 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.01 1rt1 h GLU 399 Cb 1.50 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 30.05 1rt1 h GLU 399 CO 0.17 0.46 0.23 1.15 -1.18 0.00 0.00 179.01 179.84 1rt1 h THR 400 N -0.05 1.14 0.00 0.32 2.02 -1.38 -2.20 112.91 112.76 1rt1 h THR 400 Ca 0.03 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1rt1 h THR 400 Cb 0.36 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1rt1 h THR 400 CO 0.01 0.15 -0.08 -0.25 0.37 0.00 0.00 175.52 175.72 1rt1 h TRP 401 N 0.60 0.00 -0.72 3.16 7.01 -1.28 -3.37 115.95 121.35 1rt1 h TRP 401 Ca 0.15 0.00 0.12 0.00 2.11 0.00 0.00 58.89 61.27 1rt1 h TRP 401 Cb 0.02 0.00 -0.08 0.00 -2.10 0.00 0.00 29.16 27.00 1rt1 h TRP 401 CO 0.00 0.00 0.31 2.35 -2.79 0.00 0.00 178.44 178.31 1rt1 h TRP 402 N -0.53 0.53 0.00 2.65 7.01 -1.24 -1.86 115.95 122.51 1rt1 h TRP 402 Ca 0.00 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.03 1rt1 h TRP 402 Cb 0.08 -0.13 0.00 0.00 -2.10 0.00 0.00 29.16 27.01 1rt1 h TRP 402 CO -0.03 0.12 0.08 0.00 -2.79 0.00 0.00 178.44 175.82 1rt1 h THR 403 N 0.49 0.00 0.00 2.65 1.03 -1.56 -2.83 112.91 112.68 1rt1 h THR 403 Ca 0.38 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.78 1rt1 h THR 403 Cb 0.51 0.59 0.00 0.00 -1.07 0.00 0.00 68.15 68.18 1rt1 h THR 403 CO -0.35 0.00 0.00 1.21 -0.01 0.00 0.00 175.52 176.37 1rt1 n GLU 404 N -2.48 6.47 -2.01 0.00 4.07 -0.76 -5.05 120.64 120.87 1rt1 n GLU 404 Ca -0.02 -0.01 -0.41 0.00 -0.06 0.00 0.00 57.16 56.66 1rt1 n GLU 404 Cb 0.12 -0.49 -0.01 0.00 -0.06 0.00 0.00 31.44 31.00 1rt1 n GLU 404 CO 0.00 0.00 0.00 -0.47 -0.06 0.00 0.00 177.13 176.60 1rt1 s TYR 405 N -0.93 2.89 -0.23 4.31 5.04 -0.84 -4.90 117.35 122.69 1rt1 s TYR 405 Ca 0.00 1.34 0.24 0.00 -2.44 0.00 0.00 57.07 56.21 1rt1 s TYR 405 Cb 0.00 -3.79 1.19 0.00 0.35 0.00 0.00 41.96 39.72 1rt1 s TYR 405 CO 0.00 -2.23 1.74 0.11 -1.34 0.00 0.00 175.55 173.83 1rt1 h TRP 406 N 3.21 0.00 -3.54 4.97 5.08 -1.90 -3.44 115.95 120.33 1rt1 h TRP 406 Ca -0.50 0.00 -0.67 0.00 1.08 0.00 0.00 58.89 58.80 1rt1 h TRP 406 Cb 1.23 0.00 -0.16 0.00 -3.00 0.00 0.00 29.16 27.23 1rt1 h TRP 406 CO 0.55 0.00 -0.69 -1.14 -1.28 0.00 0.00 178.44 175.88 1rt1 s GLN 407 N -3.51 2.59 0.27 0.12 0.74 -1.26 -5.09 119.66 113.52 1rt1 s GLN 407 Ca -0.00 -0.71 -0.29 0.00 0.05 0.00 0.00 55.36 54.40 1rt1 s GLN 407 Cb 0.08 -2.54 -0.09 0.00 1.10 0.00 0.00 33.01 31.56 1rt1 s GLN 407 CO 0.29 0.60 1.24 0.00 -0.55 0.00 0.00 175.29 176.88 1rt1 s ALA 408 N -1.03 3.48 0.07 1.58 0.00 -1.26 -4.99 121.76 119.60 1rt1 s ALA 408 Ca 0.18 1.09 -0.22 0.00 0.00 0.00 0.00 51.96 53.01 1rt1 s ALA 408 Cb -0.11 -3.43 0.05 0.00 0.00 0.00 0.00 23.12 19.63 1rt1 s ALA 408 CO 0.09 -0.46 0.53 -0.08 0.00 0.00 0.00 175.76 175.84 1rt1 s THR 409 N -0.72 0.03 0.14 0.00 -1.32 -1.26 -5.19 115.64 107.32 1rt1 s THR 409 Ca 0.50 -0.21 -0.24 0.00 -1.21 0.00 0.00 61.69 60.53 1rt1 s THR 409 Cb -0.36 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 69.70 1rt1 s THR 409 CO 0.44 -0.12 0.66 0.86 -2.21 0.00 0.00 174.62 174.25 1rt1 s TRP 410 N -2.74 -0.48 -0.03 9.09 -0.00 -1.26 -5.08 118.94 118.45 1rt1 s TRP 410 Ca -0.04 0.27 -0.00 0.00 -0.00 0.00 0.00 56.10 56.33 1rt1 s TRP 410 Cb -0.00 0.57 0.03 0.00 -0.00 0.00 0.00 33.47 34.06 1rt1 s TRP 410 CO -0.04 -0.83 0.02 0.42 -0.00 0.00 0.00 176.95 176.53 1rt1 s ILE 411 N -3.65 0.05 0.43 5.86 1.01 -1.26 -4.91 121.20 118.72 1rt1 s ILE 411 Ca 0.02 0.19 -0.07 0.00 0.00 0.00 0.00 60.65 60.80 1rt1 s ILE 411 Cb -0.01 -0.19 0.11 0.00 0.01 0.00 0.00 42.46 42.38 1rt1 s ILE 411 CO -0.11 0.13 0.32 -2.65 0.00 0.00 0.00 174.94 172.64 1rt1 n PRO 412 N 4.39 -2.17 -1.64 2.79 -0.02 -1.26 -4.76 135.00 132.33 1rt1 n PRO 412 Ca -0.23 -0.53 -0.56 0.00 -2.02 0.00 0.00 63.50 60.16 1rt1 n PRO 412 Cb 0.50 -0.56 -0.07 0.00 -0.02 0.00 0.00 33.50 33.35 1rt1 n PRO 412 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1rt1 n GLU 413 N -2.83 1.09 -4.16 -0.52 2.13 -1.26 -4.84 120.64 110.25 1rt1 n GLU 413 Ca 0.05 0.38 -0.10 0.00 0.66 0.00 0.00 57.16 58.15 1rt1 n GLU 413 Cb 0.19 -2.14 -0.10 0.00 0.27 0.00 0.00 31.44 29.66 1rt1 n GLU 413 CO 0.00 0.00 0.00 1.67 -0.41 0.00 0.00 177.13 178.39 1rt1 s TRP 414 N 4.36 0.92 -0.01 4.31 1.48 -1.26 -1.56 118.94 127.18 1rt1 s TRP 414 Ca 1.02 -1.26 -0.06 0.00 -1.06 0.00 0.00 56.10 54.74 1rt1 s TRP 414 Cb -1.06 -0.49 0.00 0.00 -1.16 0.00 0.00 33.47 30.77 1rt1 s TRP 414 CO 0.63 -0.55 0.13 -2.00 -4.06 0.00 0.00 176.95 171.10 1rt1 s GLU 415 N -4.07 0.41 0.19 3.25 2.12 0.26 -4.86 118.70 115.99 1rt1 s GLU 415 Ca 0.27 -0.29 -0.30 0.00 0.36 0.00 0.00 54.97 55.02 1rt1 s GLU 415 Cb 0.07 0.17 -0.08 0.00 0.26 0.00 0.00 34.13 34.56 1rt1 s GLU 415 CO 0.04 -0.09 0.97 0.12 -0.54 0.00 0.00 175.26 175.76 1rt1 s PHE 416 N -1.08 3.86 -0.05 5.30 5.36 -1.26 -0.84 117.98 129.27 1rt1 s PHE 416 Ca -0.12 1.83 -0.00 0.00 -0.96 0.00 0.00 56.93 57.68 1rt1 s PHE 416 Cb -0.06 -3.05 0.03 0.00 -0.34 0.00 0.00 43.02 39.59 1rt1 s PHE 416 CO 0.01 0.20 -0.00 0.54 -1.46 0.00 0.00 175.22 174.51 1rt1 s VAL 417 N -0.64 0.27 -0.84 3.12 0.11 -1.00 -4.83 120.40 116.60 1rt1 s VAL 417 Ca 0.44 0.10 -0.22 0.00 -2.93 0.00 0.00 61.98 59.38 1rt1 s VAL 417 Cb -0.26 -0.40 0.08 0.00 -1.53 0.00 0.00 36.38 34.28 1rt1 s VAL 417 CO 0.32 0.20 1.16 0.21 -3.33 0.00 0.00 175.10 173.66 1rt1 s ASN 418 N 1.45 6.40 -0.41 3.54 3.84 -1.26 -3.90 114.94 124.60 1rt1 s ASN 418 Ca -0.03 -1.39 0.03 0.00 0.21 0.00 0.00 52.86 51.67 1rt1 s ASN 418 Cb -0.13 -2.46 0.16 0.00 -0.55 0.00 0.00 41.25 38.27 1rt1 s ASN 418 CO -0.03 -1.37 0.30 -0.89 -2.79 0.00 0.00 177.10 172.33 1rt1 s THR 419 N 3.96 0.53 0.47 -5.21 2.01 -1.26 -5.12 115.64 111.01 1rt1 s THR 419 Ca 0.32 -2.46 -0.19 0.00 0.31 0.00 0.00 61.69 59.67 1rt1 s THR 419 Cb -0.08 -1.38 -0.14 0.00 0.01 0.00 0.00 72.50 70.91 1rt1 s THR 419 CO -0.00 -1.12 0.08 -2.65 -0.69 0.00 0.00 174.62 170.23 1rt1 n PRO 420 N 3.21 0.10 -2.63 4.92 -0.02 -1.26 -4.51 135.00 134.81 1rt1 n PRO 420 Ca 0.22 0.04 -0.42 0.00 -2.02 0.00 0.00 63.50 61.32 1rt1 n PRO 420 Cb 0.43 -1.12 -0.04 0.00 -0.02 0.00 0.00 33.50 32.75 1rt1 n PRO 420 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1rt1 s PRO 421 N -1.17 4.58 0.27 0.52 0.04 -1.26 -5.00 135.00 132.99 1rt1 s PRO 421 Ca 0.60 1.54 -0.29 0.00 0.04 0.00 0.00 61.00 62.89 1rt1 s PRO 421 Cb -0.55 -3.38 -0.09 0.00 0.04 0.00 0.00 34.50 30.51 1rt1 s PRO 421 CO 0.63 0.01 1.04 -0.51 0.04 0.00 0.00 177.00 178.21 1rt1 s LEU 422 N 0.49 4.57 0.30 -3.56 1.43 -1.26 -4.63 118.68 116.02 1rt1 s LEU 422 Ca 0.51 2.14 -0.26 0.00 -1.03 0.00 0.00 54.13 55.50 1rt1 s LEU 422 Cb -0.25 -3.65 -0.10 0.00 0.03 0.00 0.00 46.19 42.23 1rt1 s LEU 422 CO 0.30 -0.05 0.91 0.68 0.23 0.00 0.00 176.35 178.43 1rt1 s VAL 423 N -1.19 4.24 0.35 -1.59 -7.23 0.18 -4.98 120.40 110.19 1rt1 s VAL 423 Ca 0.44 1.79 -0.04 0.00 -1.81 0.00 0.00 61.98 62.35 1rt1 s VAL 423 Cb -0.29 -4.03 0.01 0.00 0.56 0.00 0.00 36.38 32.63 1rt1 s VAL 423 CO 0.37 0.20 0.53 -1.59 -0.31 0.00 0.00 175.10 174.30 1rt1 s LYS 424 N -1.93 1.98 -0.43 4.82 -2.85 -1.26 -4.45 119.74 115.62 1rt1 s LYS 424 Ca 0.48 -1.72 -0.20 0.00 -1.00 0.00 0.00 55.97 53.54 1rt1 s LYS 424 Cb -0.19 0.48 0.02 0.00 -2.06 0.00 0.00 37.83 36.08 1rt1 s LYS 424 CO 0.24 -0.84 0.58 -0.51 0.10 0.00 0.00 175.35 174.92 1rt1 s LEU 425 N -3.21 4.61 0.53 2.77 1.43 -1.26 -4.80 118.68 118.75 1rt1 s LEU 425 Ca 0.28 -0.45 0.20 0.00 -1.03 0.00 0.00 54.13 53.13 1rt1 s LEU 425 Cb -0.01 -2.63 1.34 0.00 0.03 0.00 0.00 46.19 44.92 1rt1 s LEU 425 CO 0.19 -0.72 2.11 -0.50 0.23 0.00 0.00 176.35 177.66 1rt1 h TRP 426 N 8.84 0.00 -2.53 0.29 4.06 -2.00 -3.44 115.95 121.16 1rt1 h TRP 426 Ca -0.26 0.00 0.09 0.00 2.06 0.00 0.00 58.89 60.78 1rt1 h TRP 426 Cb 1.10 0.00 -0.12 0.00 -1.00 0.00 0.00 29.16 29.14 1rt1 h TRP 426 CO 0.69 0.00 0.40 1.52 -3.56 0.00 0.00 178.44 177.49 1rt1 s TYR 427 N -5.02 -0.34 -0.12 0.49 -0.85 -1.26 -4.66 117.35 105.60 1rt1 s TYR 427 Ca -0.05 0.12 -0.04 0.00 -0.52 0.00 0.00 57.07 56.59 1rt1 s TYR 427 Cb 0.18 0.58 0.05 0.00 0.38 0.00 0.00 41.96 43.15 1rt1 s TYR 427 CO 0.68 -0.74 0.10 -0.65 -1.52 0.00 0.00 175.55 173.42 1rt1 s GLN 428 N -3.38 0.02 0.53 -3.49 -0.21 -1.26 -5.09 119.66 106.77 1rt1 s GLN 428 Ca 0.06 0.18 -0.22 0.00 0.02 0.00 0.00 55.36 55.39 1rt1 s GLN 428 Cb -0.01 -1.14 -0.05 0.00 1.00 0.00 0.00 33.01 32.80 1rt1 s GLN 428 CO -0.06 -0.51 1.38 -0.51 -2.12 0.00 0.00 175.29 173.47 1rt1 s LEU 429 N 2.18 3.90 0.77 2.90 1.43 -1.26 -4.78 118.68 123.82 1rt1 s LEU 429 Ca 0.04 2.82 -0.14 0.00 -1.03 0.00 0.00 54.13 55.81 1rt1 s LEU 429 Cb -0.14 -4.20 0.06 0.00 0.03 0.00 0.00 46.19 41.94 1rt1 s LEU 429 CO -0.07 -1.51 1.23 -1.61 0.23 0.00 0.00 176.35 174.62 1rt1 s GLU 430 N -2.82 1.84 0.12 1.70 0.41 0.39 -4.93 118.70 115.41 1rt1 s GLU 430 Ca 0.70 1.85 0.13 0.00 -0.41 0.00 0.00 54.97 57.23 1rt1 s GLU 430 Cb -0.42 -1.79 -0.12 0.00 -1.78 0.00 0.00 34.13 30.03 1rt1 s GLU 430 CO 0.50 -2.09 1.08 -0.22 -0.49 0.00 0.00 175.26 174.05 1rt1 h LYS 431 N -0.56 0.00 -3.95 1.61 1.63 -1.91 -3.46 116.57 109.94 1rt1 h LYS 431 Ca -0.47 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.21 1rt1 h LYS 431 Cb 1.31 0.00 -0.16 0.00 -0.60 0.00 0.00 32.23 32.78 1rt1 h LYS 431 CO 0.48 0.56 -0.54 -1.21 -3.45 0.00 0.00 179.45 175.29 1rt1 s GLU 432 N -2.82 0.66 0.39 1.90 0.41 -1.26 -5.14 118.70 112.83 1rt1 s GLU 432 Ca -0.00 -0.95 -0.25 0.00 -0.41 0.00 0.00 54.97 53.36 1rt1 s GLU 432 Cb 0.09 0.25 -0.12 0.00 -1.78 0.00 0.00 34.13 32.57 1rt1 s GLU 432 CO 0.80 -0.17 0.88 -2.30 -0.49 0.00 0.00 175.26 173.98 1rt1 n PRO 433 N 0.36 1.11 -2.94 0.39 -0.02 -1.26 -4.91 135.00 127.73 1rt1 n PRO 433 Ca -0.16 0.40 -0.42 0.00 -2.02 0.00 0.00 63.50 61.29 1rt1 n PRO 433 Cb 0.60 -1.83 -0.05 0.00 -0.02 0.00 0.00 33.50 32.20 1rt1 n PRO 433 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1rt1 s ILE 434 N -1.27 4.76 0.24 4.25 1.01 -1.26 -5.01 121.20 123.91 1rt1 s ILE 434 Ca 0.62 1.07 -0.30 0.00 0.00 0.00 0.00 60.65 62.05 1rt1 s ILE 434 Cb -0.61 -4.18 -0.09 0.00 0.01 0.00 0.00 42.46 37.59 1rt1 s ILE 434 CO 0.58 -0.33 1.18 -0.69 0.00 0.00 0.00 174.94 175.67 1rt1 s VAL 435 N 3.04 3.44 0.00 2.92 1.01 -1.26 -3.70 120.40 125.85 1rt1 s VAL 435 Ca 0.32 1.31 0.00 0.00 0.00 0.00 0.00 61.98 63.62 1rt1 s VAL 435 Cb -0.14 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1rt1 s VAL 435 CO 0.14 0.26 0.00 0.61 0.00 0.00 0.00 175.10 176.11 1rt1 n GLY 436 N 1.68 1.87 3.31 4.51 0.00 -1.26 -5.03 105.19 110.27 1rt1 n GLY 436 Ca 0.02 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 1rt1 n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rt1 n ALA 437 N 0.00 -2.77 -1.79 4.61 0.00 -1.24 -4.91 120.51 114.41 1rt1 n ALA 437 Ca 0.00 0.07 -0.35 0.00 0.00 0.00 0.00 53.44 53.17 1rt1 n ALA 437 Cb 0.00 -1.51 -0.03 0.00 0.00 0.00 0.00 19.45 17.92 1rt1 n ALA 437 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1rt1 s GLU 438 N -1.12 3.73 -0.15 0.00 2.12 -1.26 -4.76 118.70 117.26 1rt1 s GLU 438 Ca 0.60 1.44 -0.02 0.00 0.36 0.00 0.00 54.97 57.35 1rt1 s GLU 438 Cb -0.59 -2.12 -0.02 0.00 0.26 0.00 0.00 34.13 31.66 1rt1 s GLU 438 CO 0.63 -0.51 -0.08 0.99 -0.54 0.00 0.00 175.26 175.75 1rt1 s THR 439 N -1.89 3.44 -0.19 -1.70 2.01 -1.26 -1.10 115.64 114.94 1rt1 s THR 439 Ca 0.68 -0.52 -0.05 0.00 0.31 0.00 0.00 61.69 62.12 1rt1 s THR 439 Cb -0.19 -2.49 -0.02 0.00 0.01 0.00 0.00 72.50 69.81 1rt1 s THR 439 CO 0.22 0.50 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.28 1rt1 s PHE 440 N 0.48 3.02 -0.46 4.92 0.40 0.42 -2.37 117.98 124.39 1rt1 s PHE 440 Ca -0.06 -0.51 -0.16 0.00 -0.60 0.00 0.00 56.93 55.60 1rt1 s PHE 440 Cb -0.15 -2.06 0.06 0.00 0.51 0.00 0.00 43.02 41.37 1rt1 s PHE 440 CO 0.04 -0.26 0.40 0.71 0.70 0.00 0.00 175.22 176.80 1rt1 s TYR 441 N 0.97 3.22 0.10 0.36 1.51 -0.23 -0.53 117.35 122.75 1rt1 s TYR 441 Ca 0.01 -0.79 0.02 0.00 -1.01 0.00 0.00 57.07 55.30 1rt1 s TYR 441 Cb -0.14 -3.05 -0.04 0.00 -0.11 0.00 0.00 41.96 38.62 1rt1 s TYR 441 CO 0.01 -0.76 0.20 0.14 -1.11 0.00 0.00 175.55 174.03 1rt1 s VAL 442 N 1.76 5.08 -0.21 0.71 -7.23 -0.69 -1.39 120.40 118.43 1rt1 s VAL 442 Ca 0.06 -0.65 -0.26 0.00 -1.81 0.00 0.00 61.98 59.32 1rt1 s VAL 442 Cb -0.22 -3.53 0.07 0.00 0.56 0.00 0.00 36.38 33.26 1rt1 s VAL 442 CO 0.08 0.03 0.70 -0.62 -0.31 0.00 0.00 175.10 174.98 1rt1 s ASP 443 N -2.78 -0.71 -0.02 4.85 -1.08 0.21 -4.64 116.67 112.49 1rt1 s ASP 443 Ca 0.33 1.25 -0.02 0.00 -0.52 0.00 0.00 52.55 53.59 1rt1 s ASP 443 Cb -0.12 1.23 0.01 0.00 -1.46 0.00 0.00 42.92 42.57 1rt1 s ASP 443 CO 0.26 -0.33 0.07 -0.83 0.52 0.00 0.00 175.17 174.86 1rt1 s GLY 444 N 0.00 -0.05 -0.08 2.66 0.00 -1.26 -0.51 107.32 108.08 1rt1 s GLY 444 Ca -0.03 0.18 -0.06 0.00 0.00 0.00 0.00 44.72 44.82 1rt1 s GLY 444 CO 0.03 0.16 0.21 0.00 0.00 0.00 0.00 173.10 173.49 1rt1 s ALA 445 N 0.02 -0.48 0.11 3.20 0.00 -0.36 -4.32 121.76 119.93 1rt1 s ALA 445 Ca -0.00 0.72 0.03 0.00 0.00 0.00 0.00 51.96 52.71 1rt1 s ALA 445 Cb -0.01 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 1rt1 s ALA 445 CO 0.00 -0.14 -0.09 0.00 0.00 0.00 0.00 175.76 175.54 1rt1 s ALA 446 N 0.61 1.16 -0.46 0.00 0.00 -1.26 -0.58 121.76 121.23 1rt1 s ALA 446 Ca -0.04 -1.32 -0.19 0.00 0.00 0.00 0.00 51.96 50.41 1rt1 s ALA 446 Cb -0.06 0.08 0.04 0.00 0.00 0.00 0.00 23.12 23.18 1rt1 s ALA 446 CO -0.03 -0.12 0.59 1.21 0.00 0.00 0.00 175.76 177.41 1rt1 s ASN 447 N -2.83 6.25 0.61 0.00 3.84 -0.11 -4.70 114.94 118.00 1rt1 s ASN 447 Ca 0.10 -0.66 0.30 0.00 0.21 0.00 0.00 52.86 52.81 1rt1 s ASN 447 Cb 0.01 -2.28 1.62 0.00 -0.55 0.00 0.00 41.25 40.05 1rt1 s ASN 447 CO -0.01 -0.78 2.00 0.03 -2.79 0.00 0.00 177.10 175.55 1rt1 h ARG 448 N 8.89 0.00 0.10 0.43 2.47 -1.95 0.77 114.38 125.09 1rt1 h ARG 448 Ca -0.26 0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 58.12 1rt1 h ARG 448 Cb 1.10 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.40 1rt1 h ARG 448 CO 0.90 0.00 -1.85 0.39 0.56 0.00 0.00 179.97 179.97 1rt1 n GLU 449 N -3.56 0.72 0.03 0.04 1.02 -1.26 -4.26 120.64 113.37 1rt1 n GLU 449 Ca 0.03 0.33 0.12 0.00 -0.02 0.00 0.00 57.16 57.62 1rt1 n GLU 449 Cb 0.45 -1.72 0.26 0.00 -0.02 0.00 0.00 31.44 30.41 1rt1 n GLU 449 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1rt1 n THR 450 N -3.69 0.17 -3.90 2.62 -2.24 -1.09 -4.95 114.28 101.20 1rt1 n THR 450 Ca -0.32 -0.13 -0.31 0.00 -2.27 0.00 0.00 64.05 61.02 1rt1 n THR 450 Cb 0.97 -0.01 -0.01 0.00 -2.10 0.00 0.00 70.33 69.17 1rt1 n THR 450 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1rt1 n LYS 451 N -1.79 -3.44 -4.99 -0.78 5.02 0.27 -4.69 118.16 107.76 1rt1 n LYS 451 Ca 0.05 0.41 -0.32 0.00 -2.02 0.00 0.00 58.31 56.43 1rt1 n LYS 451 Cb 0.38 -5.15 -0.15 0.00 -0.02 0.00 0.00 35.03 30.09 1rt1 n LYS 451 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1rt1 s LEU 452 N -6.98 2.46 0.00 -0.35 1.98 -1.25 0.50 118.68 115.03 1rt1 s LEU 452 Ca 0.62 -0.39 -0.08 0.00 -2.89 0.00 0.00 54.13 51.40 1rt1 s LEU 452 Cb -0.33 -1.51 0.03 0.00 0.66 0.00 0.00 46.19 45.04 1rt1 s LEU 452 CO 0.77 0.21 0.54 0.61 -1.89 0.00 0.00 176.35 176.59 1rt1 n GLY 453 N 3.19 1.62 3.23 7.98 0.00 -0.39 -0.93 105.19 119.89 1rt1 n GLY 453 Ca -0.18 -1.35 -0.13 0.00 0.00 0.00 0.00 46.02 44.36 1rt1 n GLY 453 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rt1 s LYS 454 N -2.30 1.06 -0.19 1.61 1.02 0.25 -0.62 119.74 120.57 1rt1 s LYS 454 Ca 0.17 -1.50 -0.13 0.00 0.02 0.00 0.00 55.97 54.53 1rt1 s LYS 454 Cb -0.03 -0.28 0.06 0.00 -0.52 0.00 0.00 37.83 37.07 1rt1 s LYS 454 CO 0.13 -0.10 0.49 0.00 -0.92 0.00 0.00 175.35 174.94 1rt1 s ALA 455 N -3.63 -1.25 0.00 5.17 0.00 -0.42 -1.23 121.76 120.39 1rt1 s ALA 455 Ca 0.22 1.63 0.00 0.00 0.00 0.00 0.00 51.96 53.81 1rt1 s ALA 455 Cb 0.06 -0.97 0.00 0.00 0.00 0.00 0.00 23.12 22.21 1rt1 s ALA 455 CO 0.02 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 175.92 1rt1 n GLY 456 N 3.73 1.06 3.75 0.00 0.00 0.34 -0.29 105.19 113.77 1rt1 n GLY 456 Ca -0.19 -0.87 -0.08 0.00 0.00 0.00 0.00 46.02 44.88 1rt1 n GLY 456 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1rt1 s TYR 457 N -4.59 0.07 -0.09 1.61 -0.85 -0.48 -0.62 117.35 112.40 1rt1 s TYR 457 Ca 0.00 -0.50 -0.06 0.00 -0.52 0.00 0.00 57.07 56.00 1rt1 s TYR 457 Cb 0.00 0.50 0.04 0.00 0.38 0.00 0.00 41.96 42.88 1rt1 s TYR 457 CO 0.00 -1.17 0.22 0.08 -1.52 0.00 0.00 175.55 173.16 1rt1 s VAL 458 N -3.83 -0.03 0.19 -3.49 1.01 -0.48 -1.87 120.40 111.90 1rt1 s VAL 458 Ca 0.16 0.10 0.09 0.00 0.00 0.00 0.00 61.98 62.33 1rt1 s VAL 458 Cb -0.04 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 1rt1 s VAL 458 CO 0.08 0.04 -0.11 0.42 0.00 0.00 0.00 175.10 175.54 1rt1 s THR 459 N 0.82 3.11 0.61 3.92 -4.23 -0.30 -1.07 115.64 118.50 1rt1 s THR 459 Ca -0.06 -1.74 0.28 0.00 -1.18 0.00 0.00 61.69 58.99 1rt1 s THR 459 Cb -0.07 -2.55 0.35 0.00 1.34 0.00 0.00 72.50 71.57 1rt1 s THR 459 CO -0.05 -0.14 1.87 -0.55 -0.54 0.00 0.00 174.62 175.21 1rt1 h ASN 460 N 2.83 0.00 1.04 3.99 -1.07 -1.81 0.22 115.58 120.79 1rt1 h ASN 460 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.91 1rt1 h ASN 460 Cb 1.21 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.46 1rt1 h ASN 460 CO 0.54 0.00 -0.22 0.54 0.07 0.00 0.00 177.43 178.36 1rt1 n ARG 461 N -3.48 0.15 0.00 4.14 1.74 -1.26 -4.96 116.66 112.99 1rt1 n ARG 461 Ca 0.06 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 1rt1 n ARG 461 Cb 0.62 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 1rt1 n ARG 461 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rt1 n GLY 462 N 1.40 1.23 3.63 -0.13 0.00 0.79 -5.09 105.19 107.03 1rt1 n GLY 462 Ca 0.05 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 1rt1 n GLY 462 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1rt1 n ARG 463 N 0.00 1.05 -3.87 1.61 0.63 -1.26 -4.65 116.66 110.17 1rt1 n ARG 463 Ca 0.00 0.40 -0.08 0.00 -0.92 0.00 0.00 57.85 57.25 1rt1 n ARG 463 Cb 0.00 -2.21 -0.03 0.00 0.45 0.00 0.00 32.46 30.67 1rt1 n ARG 463 CO 0.00 0.00 0.00 1.14 -2.51 0.00 0.00 177.63 176.26 1rt1 s GLN 464 N -2.70 1.67 -0.22 -0.14 -2.07 -1.26 -1.15 119.66 113.79 1rt1 s GLN 464 Ca 0.74 -1.02 -0.31 0.00 -1.82 0.00 0.00 55.36 52.95 1rt1 s GLN 464 Cb -0.43 0.57 0.16 0.00 -1.09 0.00 0.00 33.01 32.21 1rt1 s GLN 464 CO 0.48 -0.75 1.21 0.21 -1.32 0.00 0.00 175.29 175.12 1rt1 s LYS 465 N -3.93 0.29 -0.07 9.60 2.20 -0.78 -4.95 119.74 122.09 1rt1 s LYS 465 Ca 0.13 0.02 -0.09 0.00 -0.36 0.00 0.00 55.97 55.67 1rt1 s LYS 465 Cb -0.04 0.14 0.02 0.00 -1.51 0.00 0.00 37.83 36.44 1rt1 s LYS 465 CO 0.06 -0.10 0.24 0.08 -0.36 0.00 0.00 175.35 175.27 1rt1 s VAL 466 N -1.41 0.02 -0.02 4.02 1.01 -1.26 -1.38 120.40 121.37 1rt1 s VAL 466 Ca 0.06 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 61.92 1rt1 s VAL 466 Cb -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 36.38 35.99 1rt1 s VAL 466 CO -0.04 -0.07 -0.05 -0.69 0.00 0.00 0.00 175.10 174.24 1rt1 s VAL 467 N -0.21 0.48 -0.10 2.92 1.01 0.60 -4.96 120.40 120.14 1rt1 s VAL 467 Ca -0.03 -0.20 -0.11 0.00 0.00 0.00 0.00 61.98 61.63 1rt1 s VAL 467 Cb -0.03 -0.44 -0.05 0.00 0.00 0.00 0.00 36.38 35.86 1rt1 s VAL 467 CO 0.01 0.16 0.26 -0.89 0.00 0.00 0.00 175.10 174.64 1rt1 s THR 468 N 0.22 5.30 0.05 3.92 2.01 -1.26 -1.31 115.64 124.57 1rt1 s THR 468 Ca -0.02 0.49 0.07 0.00 0.31 0.00 0.00 61.69 62.54 1rt1 s THR 468 Cb -0.07 -3.56 -0.03 0.00 0.01 0.00 0.00 72.50 68.86 1rt1 s THR 468 CO -0.00 0.54 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.51 1rt1 s LEU 469 N -0.61 2.18 0.07 4.42 1.43 0.21 -4.99 118.68 121.39 1rt1 s LEU 469 Ca 0.18 -0.53 0.08 0.00 -1.03 0.00 0.00 54.13 52.84 1rt1 s LEU 469 Cb -0.14 -0.91 -0.03 0.00 0.03 0.00 0.00 46.19 45.14 1rt1 s LEU 469 CO 0.07 0.13 -0.23 0.42 0.23 0.00 0.00 176.35 176.97 1rt1 s THR 470 N -0.84 1.86 -1.32 5.49 -4.23 -1.26 -1.26 115.64 114.07 1rt1 s THR 470 Ca 0.06 -1.40 -0.08 0.00 -1.18 0.00 0.00 61.69 59.10 1rt1 s THR 470 Cb -0.09 -1.63 0.01 0.00 1.34 0.00 0.00 72.50 72.13 1rt1 s THR 470 CO 0.02 0.16 1.15 -0.67 -0.54 0.00 0.00 174.62 174.74 1rt1 n ASP 471 N 1.53 -6.04 -1.92 3.99 2.03 0.18 -4.97 116.55 111.35 1rt1 n ASP 471 Ca -0.18 -0.53 0.00 0.00 0.52 0.00 0.00 54.79 54.60 1rt1 n ASP 471 Cb 0.53 -4.95 0.00 0.00 -0.72 0.00 0.00 41.12 35.98 1rt1 n ASP 471 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1rt1 n THR 472 N -4.91 0.00 -3.97 5.18 5.66 -0.93 -5.06 114.28 110.26 1rt1 n THR 472 Ca -0.01 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.90 1rt1 n THR 472 Cb 0.57 -0.65 -0.08 0.00 -1.55 0.00 0.00 70.33 68.62 1rt1 n THR 472 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1rt1 s THR 473 N 0.35 0.10 0.22 1.09 -4.23 -1.26 -4.68 115.64 107.22 1rt1 s THR 473 Ca 0.00 -1.43 -0.09 0.00 -1.18 0.00 0.00 61.69 58.99 1rt1 s THR 473 Cb 0.00 -1.72 0.18 0.00 1.34 0.00 0.00 72.50 72.30 1rt1 s THR 473 CO 0.00 -0.45 1.85 -1.13 -0.54 0.00 0.00 174.62 174.35 1rt1 h ASN 474 N 2.68 1.01 -0.68 3.99 -0.00 -1.92 -2.24 115.58 118.42 1rt1 h ASN 474 Ca -0.33 -0.08 -0.02 0.00 -0.00 0.00 0.00 56.30 55.87 1rt1 h ASN 474 Cb 1.21 -0.26 -0.03 0.00 -0.00 0.00 0.00 38.32 39.24 1rt1 h ASN 474 CO 0.53 0.80 0.35 0.06 -0.00 0.00 0.00 177.43 179.16 1rt1 h GLN 475 N 1.14 0.99 -0.42 6.67 -0.00 -1.97 -1.18 115.11 120.34 1rt1 h GLN 475 Ca 0.29 -0.13 -0.07 0.00 -0.00 0.00 0.00 58.65 58.74 1rt1 h GLN 475 Cb -0.01 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.48 27.27 1rt1 h GLN 475 CO -0.05 0.75 -0.05 0.87 -0.00 0.00 0.00 178.83 180.35 1rt1 h LYS 476 N 0.98 0.70 -0.15 0.06 1.57 -1.86 -1.16 116.57 116.72 1rt1 h LYS 476 Ca 0.24 -0.20 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 1rt1 h LYS 476 Cb 0.08 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1rt1 h LYS 476 CO -0.03 0.75 -0.19 1.79 -0.57 0.00 0.00 179.45 181.20 1rt1 h THR 477 N 0.65 1.35 -0.66 -0.16 1.35 -0.77 0.38 112.91 115.05 1rt1 h THR 477 Ca 0.12 -1.39 0.10 0.00 -0.55 0.00 0.00 66.41 64.70 1rt1 h THR 477 Cb 0.48 1.90 -0.08 0.00 -1.73 0.00 0.00 68.15 68.72 1rt1 h THR 477 CO 0.02 0.41 0.28 -0.33 -0.25 0.00 0.00 175.52 175.65 1rt1 h GLU 478 N 0.03 0.46 -0.13 4.72 5.08 -1.05 0.24 114.58 123.93 1rt1 h GLU 478 Ca 0.02 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 1rt1 h GLU 478 Cb 0.75 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 1rt1 h GLU 478 CO 0.05 0.30 -0.65 -0.07 -1.00 0.00 0.00 179.01 177.64 1rt1 h LEU 479 N 0.47 0.57 -0.94 1.33 3.38 -1.07 -2.96 115.31 116.11 1rt1 h LEU 479 Ca 0.34 -0.34 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1rt1 h LEU 479 Cb 0.41 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1rt1 h LEU 479 CO -0.31 1.07 -0.39 -0.61 0.09 0.00 0.00 178.44 178.29 1rt1 h GLN 480 N 0.36 0.00 -0.41 1.13 5.75 0.13 -0.53 115.11 121.53 1rt1 h GLN 480 Ca -0.02 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.45 1rt1 h GLN 480 Cb 1.21 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.75 1rt1 h GLN 480 CO 0.12 0.39 0.13 0.00 -2.65 0.00 0.00 178.83 176.82 1rt1 h ALA 481 N 1.61 0.54 -0.66 3.38 0.00 -0.45 -0.93 119.26 122.75 1rt1 h ALA 481 Ca -0.00 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1rt1 h ALA 481 Cb 0.90 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1rt1 h ALA 481 CO 0.05 0.18 0.13 0.82 0.00 0.00 0.00 179.25 180.43 1rt1 h ILE 482 N 0.53 1.26 -0.32 0.00 2.04 -1.29 -2.35 117.51 117.37 1rt1 h ILE 482 Ca 0.13 -0.99 0.01 0.00 1.00 0.00 0.00 64.86 65.01 1rt1 h ILE 482 Cb 0.25 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1rt1 h ILE 482 CO -0.01 0.38 0.18 0.22 0.00 0.00 0.00 178.15 178.92 1rt1 h TYR 483 N 1.01 0.34 -0.37 1.37 3.20 -0.48 -2.17 116.97 119.88 1rt1 h TYR 483 Ca 0.21 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.00 1rt1 h TYR 483 Cb 0.40 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 1rt1 h TYR 483 CO 0.03 0.20 -0.13 -0.07 -1.64 0.00 0.00 178.16 176.55 1rt1 h LEU 484 N 0.38 0.65 -0.47 2.82 3.38 -1.01 -0.51 115.31 120.54 1rt1 h LEU 484 Ca 0.13 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1rt1 h LEU 484 Cb 0.01 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1rt1 h LEU 484 CO -0.07 0.80 0.29 0.00 0.09 0.00 0.00 178.44 179.56 1rt1 h ALA 485 N 1.26 0.59 -0.02 1.53 0.00 -1.05 0.11 119.26 121.68 1rt1 h ALA 485 Ca 0.10 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1rt1 h ALA 485 Cb 0.57 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1rt1 h ALA 485 CO 0.04 0.06 0.01 -0.07 0.00 0.00 0.00 179.25 179.29 1rt1 h LEU 486 N 0.62 0.03 0.01 0.00 3.38 -1.06 -1.71 115.31 116.59 1rt1 h LEU 486 Ca 0.17 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.93 1rt1 h LEU 486 Cb -0.03 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1rt1 h LEU 486 CO -0.03 0.25 -0.10 1.56 0.09 0.00 0.00 178.44 180.20 1rt1 h GLN 487 N -0.19 -0.18 0.00 1.13 4.20 -0.92 -3.15 115.11 116.01 1rt1 h GLN 487 Ca 0.01 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1rt1 h GLN 487 Cb 0.23 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1rt1 h GLN 487 CO 0.00 -0.12 0.00 -0.25 -0.67 0.00 0.00 178.83 177.79 1rt1 n ASP 488 N -5.23 0.63 -4.86 1.46 8.00 0.37 -4.88 116.55 112.04 1rt1 n ASP 488 Ca -0.06 0.62 -0.22 0.00 0.71 0.00 0.00 54.79 55.84 1rt1 n ASP 488 Cb 0.15 -0.77 0.07 0.00 -0.02 0.00 0.00 41.12 40.55 1rt1 n ASP 488 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1rt1 s SER 489 N -4.17 4.89 0.00 -2.24 1.04 -0.65 -5.07 113.70 107.50 1rt1 s SER 489 Ca 0.07 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.36 1rt1 s SER 489 Cb 0.11 -0.53 0.00 0.00 0.10 0.00 0.00 66.02 65.69 1rt1 s SER 489 CO 0.45 -1.45 0.00 0.61 0.98 0.00 0.00 173.24 173.83 1rt1 n GLY 490 N -2.56 -0.20 0.04 7.32 0.00 -1.26 -4.95 105.19 103.57 1rt1 n GLY 490 Ca 0.11 -1.59 0.12 0.00 0.00 0.00 0.00 46.02 44.66 1rt1 n GLY 490 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rt1 n LEU 491 N 0.00 0.24 -3.99 0.99 4.32 -1.26 -4.62 117.00 112.67 1rt1 n LEU 491 Ca 0.00 0.53 -0.25 0.00 -0.02 0.00 0.00 56.01 56.27 1rt1 n LEU 491 Cb 0.00 -0.47 -0.17 0.00 -1.62 0.00 0.00 43.42 41.16 1rt1 n LEU 491 CO 0.00 -0.16 -0.46 -1.61 -1.22 0.00 0.00 177.39 173.94 1rt1 s GLU 492 N -3.06 1.65 0.03 3.23 2.02 -1.25 0.12 118.70 121.44 1rt1 s GLU 492 Ca 0.11 -0.37 -0.04 0.00 0.02 0.00 0.00 54.97 54.68 1rt1 s GLU 492 Cb 0.14 -1.44 -0.01 0.00 0.10 0.00 0.00 34.13 32.92 1rt1 s GLU 492 CO 0.46 -0.05 0.07 0.08 0.02 0.00 0.00 175.26 175.84 1rt1 s VAL 493 N 0.91 0.12 -0.13 2.63 1.01 -0.37 -4.14 120.40 120.44 1rt1 s VAL 493 Ca -0.10 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 60.89 1rt1 s VAL 493 Cb -0.15 -0.69 0.01 0.00 0.00 0.00 0.00 36.38 35.55 1rt1 s VAL 493 CO 0.01 -0.56 -0.21 0.20 0.00 0.00 0.00 175.10 174.54 1rt1 s ASN 494 N -1.87 2.97 -0.09 3.32 0.01 -0.26 -1.18 114.94 117.84 1rt1 s ASN 494 Ca -0.09 -0.57 0.03 0.00 -0.71 0.00 0.00 52.86 51.53 1rt1 s ASN 494 Cb -0.04 -1.37 0.01 0.00 0.41 0.00 0.00 41.25 40.26 1rt1 s ASN 494 CO -0.03 0.07 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.82 1rt1 s ILE 495 N 0.83 1.60 -0.08 0.60 1.01 0.90 -0.44 121.20 125.62 1rt1 s ILE 495 Ca -0.07 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 59.85 1rt1 s ILE 495 Cb -0.15 -1.42 -0.02 0.00 0.01 0.00 0.00 42.46 40.88 1rt1 s ILE 495 CO -0.01 0.46 -0.15 0.68 0.00 0.00 0.00 174.94 175.92 1rt1 s VAL 496 N 0.54 2.97 0.09 2.92 -7.23 0.31 -0.96 120.40 119.04 1rt1 s VAL 496 Ca -0.16 -0.73 -0.13 0.00 -1.81 0.00 0.00 61.98 59.15 1rt1 s VAL 496 Cb -0.17 -2.19 0.02 0.00 0.56 0.00 0.00 36.38 34.60 1rt1 s VAL 496 CO 0.06 0.56 0.30 0.28 -0.31 0.00 0.00 175.10 175.99 1rt1 s THR 497 N -0.25 0.10 -0.45 5.32 -1.32 -0.87 -1.70 115.64 116.46 1rt1 s THR 497 Ca 0.01 -0.82 0.14 0.00 -1.21 0.00 0.00 61.69 59.81 1rt1 s THR 497 Cb -0.13 -1.17 0.41 0.00 -1.51 0.00 0.00 72.50 70.10 1rt1 s THR 497 CO 0.03 -0.45 1.33 -0.90 -2.21 0.00 0.00 174.62 172.42 1rt1 n ASP 498 N 0.04 3.39 -4.66 8.08 5.68 -1.25 -0.74 116.55 127.08 1rt1 n ASP 498 Ca -0.16 -2.59 -0.43 0.00 -0.50 0.00 0.00 54.79 51.11 1rt1 n ASP 498 Cb 0.62 -0.40 -0.02 0.00 -1.14 0.00 0.00 41.12 40.18 1rt1 n ASP 498 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1rt1 s SER 499 N -1.58 6.91 0.51 -1.12 0.15 -1.26 -4.53 113.70 112.78 1rt1 s SER 499 Ca 0.33 1.82 0.27 0.00 0.70 0.00 0.00 55.95 59.07 1rt1 s SER 499 Cb 0.24 -2.54 1.40 0.00 -1.71 0.00 0.00 66.02 63.41 1rt1 s SER 499 CO 0.11 -0.76 2.05 -0.61 1.20 0.00 0.00 173.24 175.22 1rt1 h GLN 500 N 8.30 0.00 -0.28 5.44 -0.00 -1.95 -2.21 115.11 124.42 1rt1 h GLN 500 Ca -0.30 0.00 -0.12 0.00 -0.00 0.00 0.00 58.65 58.23 1rt1 h GLN 500 Cb 1.13 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.59 1rt1 h GLN 500 CO 0.95 0.13 -0.33 -0.92 0.00 0.00 0.00 178.83 178.67 1rt1 h TYR 501 N 0.00 0.70 0.00 3.99 5.03 -2.00 -2.31 116.97 122.38 1rt1 h TYR 501 Ca -0.00 -0.18 -0.01 0.00 2.58 0.00 0.00 58.73 61.12 1rt1 h TYR 501 Cb 0.38 -0.16 -0.00 0.00 1.55 0.00 0.00 36.73 38.50 1rt1 h TYR 501 CO 0.00 0.86 -0.04 0.00 -1.32 0.00 0.00 178.16 177.65 1rt1 h ALA 502 N 1.13 1.02 -0.05 1.82 0.00 -1.79 -0.87 119.26 120.52 1rt1 h ALA 502 Ca 0.06 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 1rt1 h ALA 502 Cb 0.81 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1rt1 h ALA 502 CO 0.07 0.05 -0.70 1.25 0.00 0.00 0.00 179.25 179.92 1rt1 h LEU 503 N 0.00 0.29 -0.39 0.00 5.85 -1.36 -1.99 115.31 117.71 1rt1 h LEU 503 Ca -0.00 -0.19 -0.18 0.00 0.84 0.00 0.00 57.88 58.35 1rt1 h LEU 503 Cb 0.50 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1rt1 h LEU 503 CO 0.01 0.90 -0.79 1.23 -0.34 0.00 0.00 178.44 179.44 1rt1 h GLY 504 N 1.57 0.25 1.42 3.75 0.00 -1.08 -2.79 103.07 106.19 1rt1 h GLY 504 Ca -0.02 -0.39 -0.12 0.00 0.00 0.00 0.00 47.33 46.80 1rt1 h GLY 504 CO 0.11 0.35 -0.29 -2.22 0.00 0.00 0.00 176.54 174.49 1rt1 h ILE 505 N 0.14 1.28 -0.13 2.60 2.04 -1.14 -2.09 117.51 120.20 1rt1 h ILE 505 Ca -0.03 -1.41 -0.11 0.00 1.00 0.00 0.00 64.86 64.31 1rt1 h ILE 505 Cb 1.38 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 38.80 1rt1 h ILE 505 CO 0.12 0.46 -0.41 0.40 0.00 0.00 0.00 178.15 178.71 1rt1 h ILE 506 N 0.56 1.31 0.04 -0.67 2.04 -1.26 0.18 117.51 119.71 1rt1 h ILE 506 Ca 0.07 -1.54 -0.00 0.00 1.00 0.00 0.00 64.86 64.38 1rt1 h ILE 506 Cb 0.78 1.67 0.00 0.00 -0.74 0.00 0.00 36.82 38.53 1rt1 h ILE 506 CO 0.06 0.47 -0.02 -0.61 0.00 0.00 0.00 178.15 178.05 1rt1 h GLN 507 N 0.25 -0.05 0.03 2.37 4.15 -1.37 -3.39 115.11 117.10 1rt1 h GLN 507 Ca 0.02 0.00 -0.26 0.00 0.77 0.00 0.00 58.65 59.18 1rt1 h GLN 507 Cb 0.84 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.51 1rt1 h GLN 507 CO 0.07 0.50 -1.38 0.00 -1.93 0.00 0.00 178.83 176.09 1rt1 h ALA 508 N -0.37 0.49 -6.09 3.38 0.00 -1.48 -3.43 119.26 111.77 1rt1 h ALA 508 Ca -0.01 -1.16 -0.40 0.00 0.00 0.00 0.00 54.91 53.34 1rt1 h ALA 508 Cb 0.57 0.18 0.09 0.00 0.00 0.00 0.00 17.79 18.64 1rt1 h ALA 508 CO 0.01 1.35 -0.90 1.04 0.00 0.00 0.00 179.25 180.75 1rt1 n GLN 509 N -3.26 -2.16 -1.85 0.00 6.02 0.64 -4.91 117.38 111.86 1rt1 n GLN 509 Ca -0.10 0.55 -0.37 0.00 -0.01 0.00 0.00 57.00 57.07 1rt1 n GLN 509 Cb 1.00 -4.62 0.04 0.00 1.02 0.00 0.00 30.24 27.69 1rt1 n GLN 509 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1rt1 s PRO 510 N -5.75 3.00 0.00 -1.09 0.04 -1.26 -4.87 135.00 125.06 1rt1 s PRO 510 Ca 0.36 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.48 1rt1 s PRO 510 Cb -0.11 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1rt1 s PRO 510 CO 0.83 -1.26 0.94 -0.40 0.04 0.00 0.00 177.00 177.16 1rt1 n ASP 511 N -1.33 1.83 -3.67 6.66 5.68 0.12 -4.97 116.55 120.87 1rt1 n ASP 511 Ca 0.12 -1.88 -0.13 0.00 -0.50 0.00 0.00 54.79 52.41 1rt1 n ASP 511 Cb 0.47 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.37 1rt1 n ASP 511 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1rt1 s GLN 512 N -0.88 0.67 0.15 0.11 -2.07 -1.15 -4.97 119.66 111.53 1rt1 s GLN 512 Ca 0.00 0.88 -0.06 0.00 -1.82 0.00 0.00 55.36 54.36 1rt1 s GLN 512 Cb 0.00 0.28 -0.02 0.00 -1.09 0.00 0.00 33.01 32.18 1rt1 s GLN 512 CO 0.00 -0.10 0.20 0.45 -1.32 0.00 0.00 175.29 174.52 1rt1 s SER 513 N 0.58 0.14 0.14 12.60 0.15 -1.26 -1.81 113.70 124.24 1rt1 s SER 513 Ca -0.02 -1.01 0.27 0.00 0.70 0.00 0.00 55.95 55.89 1rt1 s SER 513 Cb -0.05 0.39 0.95 0.00 -1.71 0.00 0.00 66.02 65.60 1rt1 s SER 513 CO -0.03 -0.84 1.82 -1.84 1.20 0.00 0.00 173.24 173.55 1rt1 n GLU 514 N -0.18 0.18 -4.03 5.44 0.28 -0.15 -4.75 120.64 117.43 1rt1 n GLU 514 Ca -0.06 0.16 -0.35 0.00 -0.16 0.00 0.00 57.16 56.74 1rt1 n GLU 514 Cb 0.63 -1.71 -0.12 0.00 1.43 0.00 0.00 31.44 31.68 1rt1 n GLU 514 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1rt1 s SER 515 N -4.03 5.16 0.34 -1.84 1.04 -1.26 -4.98 113.70 108.12 1rt1 s SER 515 Ca 0.11 -0.10 0.03 0.00 0.48 0.00 0.00 55.95 56.48 1rt1 s SER 515 Cb 0.14 -1.89 0.64 0.00 0.10 0.00 0.00 66.02 65.02 1rt1 s SER 515 CO 0.56 0.09 1.95 -0.08 0.98 0.00 0.00 173.24 176.74 1rt1 h GLU 516 N 7.29 0.85 0.17 4.02 4.57 -1.98 0.23 114.58 129.73 1rt1 h GLU 516 Ca -0.36 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 57.76 1rt1 h GLU 516 Cb 1.18 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.58 1rt1 h GLU 516 CO 0.63 0.57 -0.08 1.25 -1.18 0.00 0.00 179.01 180.20 1rt1 h LEU 517 N 0.88 -0.19 -1.27 1.64 6.46 -1.98 0.77 115.31 121.61 1rt1 h LEU 517 Ca 0.33 -0.10 -0.00 0.00 -0.12 0.00 0.00 57.88 57.99 1rt1 h LEU 517 Cb 0.19 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.14 1rt1 h LEU 517 CO -0.11 -0.02 0.39 0.58 -0.62 0.00 0.00 178.44 178.66 1rt1 h VAL 518 N -0.36 1.19 -0.28 1.05 2.07 -1.83 -1.67 116.25 116.42 1rt1 h VAL 518 Ca -0.02 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.12 1rt1 h VAL 518 Cb 0.28 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 1rt1 h VAL 518 CO 0.04 0.19 0.08 0.78 0.02 0.00 0.00 177.57 178.68 1rt1 h ASN 519 N 0.90 0.07 -0.73 0.57 2.35 0.11 -0.69 115.58 118.17 1rt1 h ASN 519 Ca 0.24 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 1rt1 h ASN 519 Cb -0.03 0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.34 1rt1 h ASN 519 CO -0.04 0.07 0.46 1.56 -1.65 0.00 0.00 177.43 177.83 1rt1 h GLN 520 N 0.20 0.98 -0.39 0.81 4.20 -0.10 -0.19 115.11 120.61 1rt1 h GLN 520 Ca 0.13 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 1rt1 h GLN 520 Cb 0.11 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 1rt1 h GLN 520 CO -0.14 0.67 -0.00 0.82 -0.67 0.00 0.00 178.83 179.51 1rt1 h ILE 521 N 1.00 1.22 -0.53 2.54 2.04 -0.63 -2.47 117.51 120.69 1rt1 h ILE 521 Ca 0.27 -0.87 -0.09 0.00 1.00 0.00 0.00 64.86 65.17 1rt1 h ILE 521 Cb -0.07 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 1rt1 h ILE 521 CO -0.05 0.30 -0.01 0.40 0.00 0.00 0.00 178.15 178.79 1rt1 h ILE 522 N 0.59 1.26 0.00 -0.67 2.04 0.43 0.10 117.51 121.27 1rt1 h ILE 522 Ca 0.12 -1.11 -0.03 0.00 1.00 0.00 0.00 64.86 64.84 1rt1 h ILE 522 Cb 0.38 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1rt1 h ILE 522 CO 0.01 0.39 -0.14 -0.33 0.00 0.00 0.00 178.15 178.09 1rt1 h GLU 523 N 0.81 0.00 0.18 2.37 4.39 -0.85 0.28 114.58 121.76 1rt1 h GLU 523 Ca 0.15 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.59 1rt1 h GLU 523 Cb 0.54 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.21 1rt1 h GLU 523 CO 0.03 0.14 -1.14 1.96 -1.16 0.00 0.00 179.01 178.84 1rt1 h GLN 524 N 0.00 0.38 0.20 2.33 1.08 -1.08 -3.07 115.11 114.96 1rt1 h GLN 524 Ca -0.00 -0.66 0.01 0.00 -1.45 0.00 0.00 58.65 56.55 1rt1 h GLN 524 Cb 0.28 0.24 -0.03 0.00 -0.05 0.00 0.00 27.48 27.92 1rt1 h GLN 524 CO 0.02 1.31 -0.34 -0.07 -0.95 0.00 0.00 178.83 178.81 1rt1 h LEU 525 N -0.17 -0.95 -1.45 1.46 3.38 -0.08 -0.78 115.31 116.73 1rt1 h LEU 525 Ca -0.21 0.10 0.20 0.00 0.09 0.00 0.00 57.88 58.06 1rt1 h LEU 525 Cb 1.86 0.35 -0.07 0.00 0.09 0.00 0.00 40.66 42.88 1rt1 h LEU 525 CO 0.19 -0.44 0.60 0.40 0.09 0.00 0.00 178.44 179.28 1rt1 h ILE 526 N -0.61 0.68 0.00 1.22 2.04 -1.10 -2.05 117.51 117.69 1rt1 h ILE 526 Ca 0.01 -0.16 -0.09 0.00 1.00 0.00 0.00 64.86 65.63 1rt1 h ILE 526 Cb 0.61 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1rt1 h ILE 526 CO -0.15 0.08 -0.42 0.11 0.00 0.00 0.00 178.15 177.78 1rt1 h LYS 527 N 0.45 0.00 -7.20 2.37 1.57 -1.05 -3.46 116.57 109.25 1rt1 h LYS 527 Ca 0.48 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.78 1rt1 h LYS 527 Cb 1.14 0.00 0.05 0.00 0.08 0.00 0.00 32.23 33.50 1rt1 h LYS 527 CO -0.20 0.42 0.38 0.15 -0.57 0.00 0.00 179.45 179.62 1rt1 s LYS 528 N -3.60 3.53 0.13 3.15 -0.14 -0.77 -4.96 119.74 117.08 1rt1 s LYS 528 Ca -0.00 1.11 0.04 0.00 -1.36 0.00 0.00 55.97 55.76 1rt1 s LYS 528 Cb 0.11 -2.07 -0.14 0.00 -1.68 0.00 0.00 37.83 34.05 1rt1 s LYS 528 CO 0.70 -0.63 1.30 0.93 -0.76 0.00 0.00 175.35 176.89 1rt1 h GLU 529 N 0.57 0.08 -2.29 1.68 5.08 0.58 -3.46 114.58 116.82 1rt1 h GLU 529 Ca -0.47 -0.12 -0.06 0.00 -1.00 0.00 0.00 59.36 57.72 1rt1 h GLU 529 Cb 1.21 0.04 -0.23 0.00 0.50 0.00 0.00 28.75 30.27 1rt1 h GLU 529 CO 0.59 1.00 -0.06 0.15 -1.00 0.00 0.00 179.01 179.69 1rt1 s LYS 530 N -2.86 0.64 -0.02 2.33 1.02 0.35 -4.98 119.74 116.22 1rt1 s LYS 530 Ca -0.01 0.92 0.02 0.00 0.02 0.00 0.00 55.97 56.93 1rt1 s LYS 530 Cb 0.10 0.22 0.00 0.00 -0.52 0.00 0.00 37.83 37.63 1rt1 s LYS 530 CO 0.83 -0.11 -0.06 0.08 -0.92 0.00 0.00 175.35 175.16 1rt1 s VAL 531 N 0.87 0.55 -0.18 3.17 1.01 -1.26 -1.23 120.40 123.33 1rt1 s VAL 531 Ca -0.04 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.68 1rt1 s VAL 531 Cb -0.05 -0.50 0.04 0.00 0.00 0.00 0.00 36.38 35.87 1rt1 s VAL 531 CO -0.07 0.18 -0.08 -0.47 0.00 0.00 0.00 175.10 174.65 1rt1 s TYR 532 N 0.12 2.06 -0.26 5.22 5.04 -0.33 -0.46 117.35 128.75 1rt1 s TYR 532 Ca -0.01 -1.31 -0.11 0.00 -2.44 0.00 0.00 57.07 53.20 1rt1 s TYR 532 Cb -0.06 -1.48 -0.05 0.00 0.35 0.00 0.00 41.96 40.72 1rt1 s TYR 532 CO -0.00 -0.67 0.17 -0.51 -1.34 0.00 0.00 175.55 173.19 1rt1 s LEU 533 N 1.52 4.05 -0.16 6.97 1.02 -1.26 -0.07 118.68 130.74 1rt1 s LEU 533 Ca 0.00 0.05 0.01 0.00 0.02 0.00 0.00 54.13 54.22 1rt1 s LEU 533 Cb -0.15 -2.11 0.02 0.00 0.02 0.00 0.00 46.19 43.97 1rt1 s LEU 533 CO -0.08 0.01 -0.19 0.00 0.02 0.00 0.00 176.35 176.11 1rt1 s ALA 534 N 1.37 2.22 -0.02 4.21 0.00 -0.14 -4.97 121.76 124.43 1rt1 s ALA 534 Ca 0.07 -1.13 -0.11 0.00 0.00 0.00 0.00 51.96 50.80 1rt1 s ALA 534 Cb -0.15 -1.11 -0.05 0.00 0.00 0.00 0.00 23.12 21.81 1rt1 s ALA 534 CO 0.07 -0.28 0.32 -0.46 0.00 0.00 0.00 175.76 175.41 1rt1 s TRP 535 N 1.22 3.65 0.02 0.00 -0.00 -1.26 -2.05 118.94 120.52 1rt1 s TRP 535 Ca 0.02 0.78 0.02 0.00 -0.00 0.00 0.00 56.10 56.92 1rt1 s TRP 535 Cb -0.14 -2.14 -0.02 0.00 -0.00 0.00 0.00 33.47 31.18 1rt1 s TRP 535 CO -0.10 0.65 -0.07 0.14 -0.00 0.00 0.00 176.95 177.57 1rt1 s VAL 536 N -1.15 0.48 0.20 5.86 -7.23 0.08 -4.94 120.40 113.70 1rt1 s VAL 536 Ca 0.23 -0.75 -0.32 0.00 -1.81 0.00 0.00 61.98 59.33 1rt1 s VAL 536 Cb -0.15 -0.50 -0.13 0.00 0.56 0.00 0.00 36.38 36.17 1rt1 s VAL 536 CO 0.12 -0.20 1.58 -0.81 -0.31 0.00 0.00 175.10 175.49 1rt1 n PRO 537 N 2.04 2.35 -1.91 4.82 -0.04 -1.26 -3.87 135.00 137.13 1rt1 n PRO 537 Ca -0.19 0.84 -0.34 0.00 -0.04 0.00 0.00 63.50 63.78 1rt1 n PRO 537 Cb 0.56 -2.61 0.03 0.00 -0.04 0.00 0.00 33.50 31.44 1rt1 n PRO 537 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rt1 s ALA 538 N 0.68 2.55 0.00 0.55 0.00 -1.26 -4.95 121.76 119.33 1rt1 s ALA 538 Ca 0.74 0.61 0.00 0.00 0.00 0.00 0.00 51.96 53.31 1rt1 s ALA 538 Cb -0.61 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.19 1rt1 s ALA 538 CO 0.40 -1.11 0.00 0.72 0.00 0.00 0.00 175.76 175.77