#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rt4 s ILE 2 N 0.00 4.21 0.16 4.25 1.01 -1.26 -4.28 121.20 125.28 1rt4 s ILE 2 Ca 0.00 -0.16 0.09 0.00 0.00 0.00 0.00 60.65 60.58 1rt4 s ILE 2 Cb 0.00 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 1rt4 s ILE 2 CO 0.00 -0.52 -0.20 -0.94 0.00 0.00 0.00 174.94 173.28 1rt4 s SER 3 N -4.20 2.79 -1.09 3.58 1.04 -0.23 -4.55 113.70 111.03 1rt4 s SER 3 Ca 0.49 -0.82 -0.05 0.00 0.48 0.00 0.00 55.95 56.05 1rt4 s SER 3 Cb -0.10 -0.17 0.10 0.00 0.10 0.00 0.00 66.02 65.94 1rt4 s SER 3 CO 0.42 0.01 2.51 -0.81 0.98 0.00 0.00 173.24 176.36 1rt4 n PRO 4 N 0.46 4.00 -4.41 4.02 -0.04 -1.26 -4.55 135.00 133.22 1rt4 n PRO 4 Ca -0.14 -3.13 -0.32 0.00 -0.04 0.00 0.00 63.50 59.87 1rt4 n PRO 4 Cb 0.56 -2.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.42 1rt4 n PRO 4 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1rt4 s ILE 5 N -1.33 3.63 0.08 0.52 1.10 -1.26 -5.07 121.20 118.86 1rt4 s ILE 5 Ca 0.56 -0.85 -0.33 0.00 -0.51 0.00 0.00 60.65 59.52 1rt4 s ILE 5 Cb 0.24 -2.60 -0.12 0.00 0.15 0.00 0.00 42.46 40.12 1rt4 s ILE 5 CO -0.13 0.34 1.77 1.21 -2.11 0.00 0.00 174.94 176.02 1rt4 n GLU 6 N 1.39 2.42 -2.57 3.50 4.07 -1.26 -4.73 120.64 123.45 1rt4 n GLU 6 Ca -0.15 0.88 -0.36 0.00 -0.06 0.00 0.00 57.16 57.47 1rt4 n GLU 6 Cb 0.52 -2.72 -0.04 0.00 -0.06 0.00 0.00 31.44 29.14 1rt4 n GLU 6 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 1rt4 s THR 7 N 2.51 3.80 -0.13 6.31 -4.23 -1.26 -5.01 115.64 117.63 1rt4 s THR 7 Ca 0.84 1.32 -0.20 0.00 -1.18 0.00 0.00 61.69 62.47 1rt4 s THR 7 Cb -0.60 -3.65 -0.04 0.00 1.34 0.00 0.00 72.50 69.55 1rt4 s THR 7 CO 0.41 -0.05 0.57 -0.69 -0.54 0.00 0.00 174.62 174.31 1rt4 s VAL 8 N -1.75 5.11 -0.14 2.29 1.01 -1.26 -4.96 120.40 120.70 1rt4 s VAL 8 Ca 0.59 1.12 -0.29 0.00 0.00 0.00 0.00 61.98 63.40 1rt4 s VAL 8 Cb -0.20 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 1rt4 s VAL 8 CO 0.25 0.25 1.96 -2.16 0.00 0.00 0.00 175.10 175.40 1rt4 s PRO 9 N 1.04 3.64 -0.10 2.72 0.04 -1.26 -4.33 135.00 136.75 1rt4 s PRO 9 Ca 0.29 2.09 0.04 0.00 0.04 0.00 0.00 61.00 63.46 1rt4 s PRO 9 Cb -0.16 -4.21 0.00 0.00 0.04 0.00 0.00 34.50 30.17 1rt4 s PRO 9 CO 0.12 -1.51 -0.22 0.08 0.04 0.00 0.00 177.00 175.50 1rt4 s VAL 10 N 6.20 1.92 0.16 -0.36 1.01 -1.26 -5.11 120.40 122.96 1rt4 s VAL 10 Ca 0.88 -0.94 0.07 0.00 0.00 0.00 0.00 61.98 62.00 1rt4 s VAL 10 Cb -0.33 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 1rt4 s VAL 10 CO 0.35 0.53 -0.16 -0.54 0.00 0.00 0.00 175.10 175.29 1rt4 s LYS 11 N 0.40 1.21 0.49 2.72 1.02 -1.26 -4.58 119.74 119.75 1rt4 s LYS 11 Ca -0.18 -1.42 -0.19 0.00 0.02 0.00 0.00 55.97 54.20 1rt4 s LYS 11 Cb -0.18 -1.12 -0.08 0.00 -0.52 0.00 0.00 37.83 35.93 1rt4 s LYS 11 CO 0.08 0.21 1.01 -0.51 -0.92 0.00 0.00 175.35 175.22 1rt4 s LEU 12 N -2.82 3.77 0.38 3.17 1.43 -1.26 -2.74 118.68 120.61 1rt4 s LEU 12 Ca 0.16 1.79 -0.26 0.00 -1.03 0.00 0.00 54.13 54.79 1rt4 s LEU 12 Cb -0.04 -4.54 -0.12 0.00 0.03 0.00 0.00 46.19 41.53 1rt4 s LEU 12 CO 0.05 -0.71 1.07 2.29 0.23 0.00 0.00 176.35 179.29 1rt4 n LYS 13 N -1.17 1.52 -1.67 1.70 2.85 -0.66 -4.71 118.16 116.02 1rt4 n LYS 13 Ca 0.08 0.54 -0.57 0.00 -1.05 0.00 0.00 58.31 57.31 1rt4 n LYS 13 Cb 0.53 -2.07 -0.07 0.00 -0.65 0.00 0.00 35.03 32.77 1rt4 n LYS 13 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1rt4 n PRO 14 N 0.34 0.96 0.00 -1.58 -0.04 -1.26 -2.05 135.00 131.37 1rt4 n PRO 14 Ca 0.08 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.90 1rt4 n PRO 14 Cb 0.37 -1.99 0.00 0.00 -0.04 0.00 0.00 33.50 31.84 1rt4 n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1rt4 n GLY 15 N 3.51 0.96 3.93 0.55 0.00 -1.26 -5.07 105.19 107.80 1rt4 n GLY 15 Ca 0.24 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.06 1rt4 n GLY 15 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1rt4 s MET 16 N -0.75 3.04 0.16 1.61 -1.94 -0.87 -5.13 119.30 115.41 1rt4 s MET 16 Ca 0.00 -1.05 0.06 0.00 -1.71 0.00 0.00 55.69 52.99 1rt4 s MET 16 Cb 0.00 -2.70 -0.04 0.00 2.01 0.00 0.00 34.83 34.09 1rt4 s MET 16 CO 0.00 0.18 -0.13 0.34 -0.01 0.00 0.00 175.02 175.41 1rt4 s ASP 17 N -4.05 2.12 0.99 3.03 2.15 -1.26 -4.86 116.67 114.79 1rt4 s ASP 17 Ca 0.40 -0.97 -0.15 0.00 0.43 0.00 0.00 52.55 52.26 1rt4 s ASP 17 Cb -0.08 -0.07 -0.00 0.00 -0.30 0.00 0.00 42.92 42.47 1rt4 s ASP 17 CO 0.29 -0.23 -0.01 0.61 -0.17 0.00 0.00 175.17 175.66 1rt4 n GLY 18 N -0.09 -2.70 3.74 2.66 0.00 -1.26 -4.96 105.19 102.59 1rt4 n GLY 18 Ca -0.11 -0.74 -0.37 0.00 0.00 0.00 0.00 46.02 44.81 1rt4 n GLY 18 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1rt4 s PRO 19 N -3.18 2.88 -0.46 1.61 0.02 -1.26 -4.95 135.00 129.65 1rt4 s PRO 19 Ca 0.52 2.06 0.07 0.00 0.02 0.00 0.00 61.00 63.67 1rt4 s PRO 19 Cb -0.17 -2.02 0.25 0.00 0.02 0.00 0.00 34.50 32.57 1rt4 s PRO 19 CO 0.70 -1.34 0.79 1.63 -0.33 0.00 0.00 177.00 178.46 1rt4 n LYS 20 N -1.49 0.78 -3.96 5.54 5.02 -1.25 -1.78 118.16 121.01 1rt4 n LYS 20 Ca 0.13 -2.19 -0.22 0.00 -2.02 0.00 0.00 58.31 54.02 1rt4 n LYS 20 Cb 0.47 -1.38 -0.05 0.00 -0.02 0.00 0.00 35.03 34.05 1rt4 n LYS 20 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1rt4 s VAL 21 N 0.09 3.45 0.53 -0.18 0.11 -1.07 -4.94 120.40 118.39 1rt4 s VAL 21 Ca 0.33 -1.51 -0.18 0.00 -2.93 0.00 0.00 61.98 57.68 1rt4 s VAL 21 Cb 0.22 -3.12 -0.06 0.00 -1.53 0.00 0.00 36.38 31.88 1rt4 s VAL 21 CO -0.20 -0.21 1.06 -1.59 -3.33 0.00 0.00 175.10 170.84 1rt4 s LYS 22 N -3.91 3.55 -0.24 1.54 0.00 -1.26 -4.69 119.74 114.72 1rt4 s LYS 22 Ca 0.38 1.34 -0.10 0.00 0.00 0.00 0.00 55.97 57.60 1rt4 s LYS 22 Cb -0.05 -2.06 -0.04 0.00 0.00 0.00 0.00 37.83 35.68 1rt4 s LYS 22 CO 0.25 -0.64 0.14 -1.14 0.00 0.00 0.00 175.35 173.95 1rt4 s GLN 23 N -3.55 3.95 0.54 1.78 2.00 -1.26 -4.53 119.66 118.59 1rt4 s GLN 23 Ca 0.67 -0.33 -0.21 0.00 -2.00 0.00 0.00 55.36 53.49 1rt4 s GLN 23 Cb -0.17 -3.48 -0.05 0.00 0.80 0.00 0.00 33.01 30.11 1rt4 s GLN 23 CO 0.27 -0.01 1.26 -1.58 -0.50 0.00 0.00 175.29 174.74 1rt4 s TRP 24 N 1.21 2.46 0.26 1.67 0.52 -1.26 -5.00 118.94 118.81 1rt4 s TRP 24 Ca 0.06 1.46 -0.29 0.00 0.02 0.00 0.00 56.10 57.35 1rt4 s TRP 24 Cb -0.14 -3.60 -0.09 0.00 -1.15 0.00 0.00 33.47 28.48 1rt4 s TRP 24 CO 0.05 -2.35 0.96 -1.25 0.02 0.00 0.00 176.95 174.38 1rt4 s PRO 25 N -2.98 4.77 0.26 4.98 0.04 -1.26 -4.90 135.00 135.92 1rt4 s PRO 25 Ca 0.71 1.50 0.07 0.00 0.04 0.00 0.00 61.00 63.32 1rt4 s PRO 25 Cb -0.35 -3.17 -0.06 0.00 0.04 0.00 0.00 34.50 30.97 1rt4 s PRO 25 CO 0.40 0.43 -0.07 -0.51 0.04 0.00 0.00 177.00 177.29 1rt4 s LEU 26 N -1.39 2.48 0.71 -3.56 1.43 -1.26 -5.13 118.68 111.95 1rt4 s LEU 26 Ca 0.43 -1.16 -0.13 0.00 -1.03 0.00 0.00 54.13 52.25 1rt4 s LEU 26 Cb -0.25 -0.63 0.02 0.00 0.03 0.00 0.00 46.19 45.36 1rt4 s LEU 26 CO 0.31 -0.32 1.09 -0.89 0.23 0.00 0.00 176.35 176.77 1rt4 s THR 27 N -3.03 3.43 0.51 5.49 2.01 -1.26 -4.82 115.64 117.98 1rt4 s THR 27 Ca 0.28 0.55 0.18 0.00 0.31 0.00 0.00 61.69 63.01 1rt4 s THR 27 Cb 0.03 -3.08 0.26 0.00 0.01 0.00 0.00 72.50 69.72 1rt4 s THR 27 CO 0.11 -0.53 2.13 -0.08 -0.69 0.00 0.00 174.62 175.56 1rt4 h GLU 28 N -0.54 0.00 -0.21 4.92 4.81 -2.00 0.47 114.58 122.03 1rt4 h GLU 28 Ca -0.45 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.62 1rt4 h GLU 28 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1rt4 h GLU 28 CO 0.53 0.04 -0.49 0.93 -0.73 0.00 0.00 179.01 179.29 1rt4 h GLU 29 N 0.00 0.71 0.00 1.92 4.39 -1.99 0.23 114.58 119.84 1rt4 h GLU 29 Ca -0.00 -0.48 -0.05 0.00 0.34 0.00 0.00 59.36 59.17 1rt4 h GLU 29 Cb 0.07 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1rt4 h GLU 29 CO 0.00 1.10 -0.24 0.87 -1.16 0.00 0.00 179.01 179.58 1rt4 h LYS 30 N 0.42 0.00 0.00 2.33 1.57 -1.62 -2.47 116.57 116.80 1rt4 h LYS 30 Ca -0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1rt4 h LYS 30 Cb 1.10 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 1rt4 h LYS 30 CO 0.11 0.24 -0.32 0.82 -0.57 0.00 0.00 179.45 179.73 1rt4 h ILE 31 N 0.00 1.57 -0.45 1.86 2.04 -0.81 -3.08 117.51 118.65 1rt4 h ILE 31 Ca -0.00 -2.30 0.08 0.00 1.00 0.00 0.00 64.86 63.64 1rt4 h ILE 31 Cb 0.74 3.10 -0.10 0.00 -0.74 0.00 0.00 36.82 39.82 1rt4 h ILE 31 CO 0.03 0.53 -0.35 0.11 0.00 0.00 0.00 178.15 178.47 1rt4 h LYS 32 N -1.00 -0.24 0.32 2.37 1.57 -0.50 0.97 116.57 120.07 1rt4 h LYS 32 Ca -0.09 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1rt4 h LYS 32 Cb 1.08 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.40 1rt4 h LYS 32 CO -0.05 -0.16 -0.51 0.00 -0.57 0.00 0.00 179.45 178.16 1rt4 h ALA 33 N 0.74 -1.06 -0.69 3.86 0.00 -1.59 -1.10 119.26 119.42 1rt4 h ALA 33 Ca 0.18 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 55.08 1rt4 h ALA 33 Cb 0.55 0.80 -0.04 0.00 0.00 0.00 0.00 17.79 19.10 1rt4 h ALA 33 CO -0.58 -1.15 0.47 -0.07 0.00 0.00 0.00 179.25 177.91 1rt4 h LEU 34 N -0.89 0.31 0.12 0.00 3.38 -1.33 0.12 115.31 117.02 1rt4 h LEU 34 Ca -0.03 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1rt4 h LEU 34 Cb 0.82 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1rt4 h LEU 34 CO -0.17 0.16 -0.06 0.58 0.09 0.00 0.00 178.44 179.05 1rt4 h VAL 35 N 0.33 1.02 0.81 1.22 2.07 -0.15 -0.77 116.25 120.78 1rt4 h VAL 35 Ca 0.33 -0.57 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 1rt4 h VAL 35 Cb 0.85 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1rt4 h VAL 35 CO -0.09 0.14 -0.49 -0.33 0.02 0.00 0.00 177.57 176.82 1rt4 h GLU 36 N -0.43 -1.17 -0.48 1.57 5.08 0.06 -1.58 114.58 117.63 1rt4 h GLU 36 Ca -0.02 0.08 0.08 0.00 -1.00 0.00 0.00 59.36 58.51 1rt4 h GLU 36 Cb 0.35 0.26 -0.07 0.00 0.50 0.00 0.00 28.75 29.79 1rt4 h GLU 36 CO 0.03 -0.78 0.07 0.82 -1.00 0.00 0.00 179.01 178.15 1rt4 h ILE 37 N -1.21 0.70 -0.37 3.13 5.03 -0.88 -1.62 117.51 122.28 1rt4 h ILE 37 Ca -0.11 -0.07 -0.03 0.00 -0.12 0.00 0.00 64.86 64.53 1rt4 h ILE 37 Cb 0.97 0.49 -0.02 0.00 -3.03 0.00 0.00 36.82 35.22 1rt4 h ILE 37 CO 0.12 0.04 0.10 0.00 -0.68 0.00 0.00 178.15 177.72 1rt4 h THR 39 N 0.53 1.16 0.29 0.00 2.02 -0.36 -1.12 112.91 115.43 1rt4 h THR 39 Ca 0.13 -1.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.05 1rt4 h THR 39 Cb 0.19 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 1rt4 h THR 39 CO -0.01 0.35 -0.14 -0.08 0.37 0.00 0.00 175.52 176.01 1rt4 h GLU 40 N 0.00 -0.38 0.00 6.66 4.57 -0.53 -0.92 114.58 123.99 1rt4 h GLU 40 Ca -0.00 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1rt4 h GLU 40 Cb 0.66 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.34 1rt4 h GLU 40 CO 0.05 -0.25 0.00 0.00 -1.18 0.00 0.00 179.01 177.63 1rt4 h MET 41 N -0.44 0.00 0.02 1.92 -0.00 -1.52 -1.06 114.93 113.85 1rt4 h MET 41 Ca -0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.66 1rt4 h MET 41 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.90 1rt4 h MET 41 CO 0.07 0.00 -0.01 1.49 -0.00 0.00 0.00 176.91 178.46 1rt4 h GLU 42 N 0.00 -0.02 -0.35 -0.10 4.57 -0.98 -0.36 114.58 117.35 1rt4 h GLU 42 Ca 0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 1rt4 h GLU 42 Cb 0.06 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 1rt4 h GLU 42 CO 0.00 0.30 0.01 1.57 -1.18 0.00 0.00 179.01 179.71 1rt4 h LYS 43 N -0.34 0.54 0.00 1.92 2.10 0.09 -1.63 116.57 119.24 1rt4 h LYS 43 Ca -0.00 -0.11 0.00 0.00 -2.00 0.00 0.00 60.65 58.54 1rt4 h LYS 43 Cb 0.33 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 1rt4 h LYS 43 CO 0.00 0.56 0.00 0.39 -2.00 0.00 0.00 179.45 178.40 1rt4 n GLU 44 N -4.28 0.11 -0.66 0.07 1.02 -0.74 -4.87 120.64 111.28 1rt4 n GLU 44 Ca 0.02 0.31 0.00 0.00 -0.02 0.00 0.00 57.16 57.46 1rt4 n GLU 44 Cb 0.24 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 1rt4 n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rt4 n GLY 45 N 0.20 0.82 0.14 0.62 0.00 -0.61 -4.84 105.19 101.52 1rt4 n GLY 45 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 1rt4 n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rt4 h LYS 46 N 3.56 0.38 -6.27 1.61 1.57 -1.30 -3.44 116.57 112.68 1rt4 h LYS 46 Ca 0.00 -0.08 -0.60 0.00 -1.87 0.00 0.00 60.65 58.10 1rt4 h LYS 46 Cb 0.00 -0.05 -0.24 0.00 0.08 0.00 0.00 32.23 32.01 1rt4 h LYS 46 CO 0.00 0.47 -0.84 0.96 -0.57 0.00 0.00 179.45 179.46 1rt4 s ILE 47 N -5.37 1.80 0.05 1.86 -4.36 -1.14 -1.53 121.20 112.51 1rt4 s ILE 47 Ca -0.14 -1.37 0.08 0.00 -0.26 0.00 0.00 60.65 58.96 1rt4 s ILE 47 Cb 0.08 -1.58 -0.03 0.00 1.25 0.00 0.00 42.46 42.18 1rt4 s ILE 47 CO 0.73 0.14 -0.21 -0.44 0.24 0.00 0.00 174.94 175.39 1rt4 s SER 48 N -1.47 2.57 0.52 4.36 0.01 -0.83 -4.30 113.70 114.56 1rt4 s SER 48 Ca 0.08 -0.55 -0.21 0.00 1.31 0.00 0.00 55.95 56.59 1rt4 s SER 48 Cb -0.09 -0.21 -0.06 0.00 0.21 0.00 0.00 66.02 65.87 1rt4 s SER 48 CO 0.03 0.16 1.14 -0.54 0.41 0.00 0.00 173.24 174.44 1rt4 s LYS 49 N -1.28 3.47 0.08 12.44 1.02 -1.26 -2.00 119.74 132.21 1rt4 s LYS 49 Ca 0.08 1.67 0.04 0.00 0.02 0.00 0.00 55.97 57.78 1rt4 s LYS 49 Cb -0.09 -2.13 -0.03 0.00 -0.52 0.00 0.00 37.83 35.06 1rt4 s LYS 49 CO 0.02 -0.77 -0.10 0.96 -0.92 0.00 0.00 175.35 174.54 1rt4 s ILE 50 N -1.69 0.87 0.00 2.17 -4.36 -1.18 -4.90 121.20 112.11 1rt4 s ILE 50 Ca 0.70 -1.49 0.00 0.00 -0.26 0.00 0.00 60.65 59.60 1rt4 s ILE 50 Cb -0.26 -1.18 0.00 0.00 1.25 0.00 0.00 42.46 42.28 1rt4 s ILE 50 CO 0.30 -0.49 0.00 0.61 0.24 0.00 0.00 174.94 175.60 1rt4 n GLY 51 N 0.83 1.70 0.00 6.27 0.00 -1.26 -4.49 105.19 108.23 1rt4 n GLY 51 Ca -0.18 -2.03 0.08 0.00 0.00 0.00 0.00 46.02 43.89 1rt4 n GLY 51 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rt4 n PRO 52 N -0.20 0.56 0.00 1.61 -0.04 -1.26 -3.25 135.00 132.42 1rt4 n PRO 52 Ca 0.00 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 1rt4 n PRO 52 Cb 0.00 -1.44 0.63 0.00 -0.04 0.00 0.00 33.50 32.65 1rt4 n PRO 52 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1rt4 n GLU 53 N -0.94 1.00 -3.98 0.54 1.02 -1.26 -4.56 120.64 112.46 1rt4 n GLU 53 Ca 0.12 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.95 1rt4 n GLU 53 Cb 0.05 -1.33 -0.15 0.00 -0.02 0.00 0.00 31.44 29.99 1rt4 n GLU 53 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1rt4 s ASN 54 N -1.66 4.17 0.00 1.62 3.84 -1.20 -4.99 114.94 116.71 1rt4 s ASN 54 Ca 0.32 -1.40 0.21 0.00 0.21 0.00 0.00 52.86 52.20 1rt4 s ASN 54 Cb 0.14 -1.34 1.07 0.00 -0.55 0.00 0.00 41.25 40.58 1rt4 s ASN 54 CO 0.24 -0.25 1.71 -0.81 -2.79 0.00 0.00 177.10 175.21 1rt4 n PRO 55 N 4.55 1.24 -3.41 0.43 -0.04 -1.26 -4.91 135.00 131.61 1rt4 n PRO 55 Ca -0.10 -0.37 -0.29 0.00 -0.04 0.00 0.00 63.50 62.70 1rt4 n PRO 55 Cb 0.43 -1.35 -0.03 0.00 -0.04 0.00 0.00 33.50 32.51 1rt4 n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1rt4 s TYR 56 N -1.94 3.47 -0.28 0.54 2.02 -1.26 -4.75 117.35 115.16 1rt4 s TYR 56 Ca 0.31 0.63 -0.23 0.00 -0.37 0.00 0.00 57.07 57.41 1rt4 s TYR 56 Cb 0.15 -2.08 0.09 0.00 -0.40 0.00 0.00 41.96 39.72 1rt4 s TYR 56 CO 0.25 0.22 0.82 1.21 -1.57 0.00 0.00 175.55 176.48 1rt4 s ASN 57 N -3.04 -0.69 -0.01 2.29 2.47 -0.73 -4.59 114.94 110.64 1rt4 s ASN 57 Ca 0.43 1.26 0.07 0.00 0.42 0.00 0.00 52.86 55.05 1rt4 s ASN 57 Cb -0.11 1.28 -0.02 0.00 -1.45 0.00 0.00 41.25 40.95 1rt4 s ASN 57 CO 0.29 -0.21 -0.23 -0.89 -3.72 0.00 0.00 177.10 172.33 1rt4 s THR 58 N 0.62 1.86 0.07 -5.21 2.01 0.39 -2.61 115.64 112.76 1rt4 s THR 58 Ca -0.01 -1.03 -0.31 0.00 0.31 0.00 0.00 61.69 60.65 1rt4 s THR 58 Cb -0.05 -1.55 -0.07 0.00 0.01 0.00 0.00 72.50 70.84 1rt4 s THR 58 CO -0.06 0.50 1.46 -2.16 -0.69 0.00 0.00 174.62 173.67 1rt4 s PRO 59 N -0.62 4.28 -0.15 4.92 0.04 -1.26 -4.06 135.00 138.15 1rt4 s PRO 59 Ca 0.09 2.10 -0.08 0.00 0.04 0.00 0.00 61.00 63.16 1rt4 s PRO 59 Cb -0.09 -3.43 -0.04 0.00 0.04 0.00 0.00 34.50 30.98 1rt4 s PRO 59 CO -0.01 -0.56 0.12 0.08 0.04 0.00 0.00 177.00 176.68 1rt4 s VAL 60 N 1.88 5.36 0.40 -0.36 1.01 -1.26 -1.42 120.40 126.01 1rt4 s VAL 60 Ca 0.66 0.16 0.07 0.00 0.00 0.00 0.00 61.98 62.87 1rt4 s VAL 60 Cb -0.36 -3.37 -0.08 0.00 0.00 0.00 0.00 36.38 32.57 1rt4 s VAL 60 CO 0.29 0.55 0.01 -0.36 0.00 0.00 0.00 175.10 175.59 1rt4 s PHE 61 N -0.48 2.47 -0.10 5.22 0.08 0.16 -4.83 117.98 120.51 1rt4 s PHE 61 Ca 0.12 -0.68 -0.03 0.00 0.12 0.00 0.00 56.93 56.46 1rt4 s PHE 61 Cb -0.12 -1.72 0.05 0.00 -0.57 0.00 0.00 43.02 40.66 1rt4 s PHE 61 CO 0.02 0.43 0.09 0.00 -0.10 0.00 0.00 175.22 175.66 1rt4 s ALA 62 N -2.74 0.20 -0.10 5.36 0.00 -1.26 -2.09 121.76 121.12 1rt4 s ALA 62 Ca 0.35 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.40 1rt4 s ALA 62 Cb 0.09 -0.83 0.02 0.00 0.00 0.00 0.00 23.12 22.41 1rt4 s ALA 62 CO 0.18 -0.76 -0.08 -1.50 0.00 0.00 0.00 175.76 173.59 1rt4 s ILE 63 N 2.19 1.04 0.46 0.00 1.10 -0.25 -4.97 121.20 120.77 1rt4 s ILE 63 Ca 0.04 -0.32 -0.24 0.00 -0.51 0.00 0.00 60.65 59.61 1rt4 s ILE 63 Cb -0.14 -1.04 -0.07 0.00 0.15 0.00 0.00 42.46 41.36 1rt4 s ILE 63 CO -0.06 0.36 1.37 -0.54 -2.11 0.00 0.00 174.94 173.97 1rt4 s LYS 64 N 1.50 3.62 1.06 3.50 1.02 -1.26 -2.28 119.74 126.89 1rt4 s LYS 64 Ca 0.01 2.29 -0.12 0.00 0.02 0.00 0.00 55.97 58.17 1rt4 s LYS 64 Cb -0.13 -2.57 0.23 0.00 -0.52 0.00 0.00 37.83 34.84 1rt4 s LYS 64 CO -0.06 -0.83 1.07 -1.59 -0.92 0.00 0.00 175.35 173.03 1rt4 s LYS 65 N -2.53 -0.11 -0.44 1.68 -2.85 -0.40 -4.60 119.74 110.49 1rt4 s LYS 65 Ca 0.63 1.09 -0.12 0.00 -1.00 0.00 0.00 55.97 56.57 1rt4 s LYS 65 Cb -0.41 -1.63 -0.10 0.00 -2.06 0.00 0.00 37.83 33.63 1rt4 s LYS 65 CO 0.52 -3.25 1.16 1.63 0.10 0.00 0.00 175.35 175.50 1rt4 n LYS 66 N -4.62 0.00 -1.44 1.78 5.02 -1.26 -2.94 118.16 114.71 1rt4 n LYS 66 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1rt4 n LYS 66 Cb 0.53 -0.63 0.00 0.00 -0.02 0.00 0.00 35.03 34.91 1rt4 n LYS 66 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1rt4 n ASP 67 N 4.32 -1.92 -3.84 4.39 8.00 -1.26 -4.66 116.55 121.58 1rt4 n ASP 67 Ca 0.29 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.50 1rt4 n ASP 67 Cb 0.02 -0.52 -0.04 0.00 -0.02 0.00 0.00 41.12 40.56 1rt4 n ASP 67 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1rt4 n SER 68 N -1.40 -2.39 0.00 -2.24 7.64 -1.15 -4.93 113.62 109.15 1rt4 n SER 68 Ca 0.00 -0.68 0.00 0.00 1.01 0.00 0.00 58.87 59.20 1rt4 n SER 68 Cb 0.48 -2.04 0.00 0.00 -1.01 0.00 0.00 64.21 61.64 1rt4 n SER 68 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1rt4 n THR 69 N -3.80 0.00 -3.60 0.44 -1.04 -1.26 -5.02 114.28 100.01 1rt4 n THR 69 Ca 0.06 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.79 1rt4 n THR 69 Cb 0.49 -0.50 -0.03 0.00 -1.82 0.00 0.00 70.33 68.46 1rt4 n THR 69 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1rt4 s LYS 70 N 0.00 3.55 0.02 -2.82 2.20 -1.26 -4.93 119.74 116.49 1rt4 s LYS 70 Ca 0.00 -0.25 -0.17 0.00 -0.36 0.00 0.00 55.97 55.19 1rt4 s LYS 70 Cb 0.00 -2.79 -0.06 0.00 -1.51 0.00 0.00 37.83 33.47 1rt4 s LYS 70 CO 0.00 0.35 0.47 -1.58 -0.36 0.00 0.00 175.35 174.23 1rt4 s TRP 71 N -1.93 3.74 0.21 4.03 0.52 -1.26 -1.27 118.94 122.98 1rt4 s TRP 71 Ca 0.40 1.09 0.05 0.00 0.02 0.00 0.00 56.10 57.67 1rt4 s TRP 71 Cb -0.11 -2.39 -0.05 0.00 -1.15 0.00 0.00 33.47 29.78 1rt4 s TRP 71 CO 0.29 0.59 -0.08 0.50 0.02 0.00 0.00 176.95 178.27 1rt4 s ARG 72 N -0.96 1.29 0.30 4.98 3.52 -0.97 -4.89 118.95 122.21 1rt4 s ARG 72 Ca 0.26 -1.60 0.10 0.00 -0.13 0.00 0.00 55.73 54.36 1rt4 s ARG 72 Cb -0.18 -0.85 -0.05 0.00 -1.56 0.00 0.00 34.95 32.32 1rt4 s ARG 72 CO 0.15 0.06 -0.05 -1.59 -0.81 0.00 0.00 175.30 173.05 1rt4 s LYS 73 N -3.74 2.05 -0.12 5.12 -2.85 -1.26 -1.09 119.74 117.84 1rt4 s LYS 73 Ca 0.23 -1.63 -0.07 0.00 -1.00 0.00 0.00 55.97 53.50 1rt4 s LYS 73 Cb 0.03 -1.97 0.05 0.00 -2.06 0.00 0.00 37.83 33.87 1rt4 s LYS 73 CO 0.06 0.27 0.29 -0.51 0.10 0.00 0.00 175.35 175.57 1rt4 s LEU 74 N -3.64 0.39 -0.16 2.77 1.02 -0.89 -4.88 118.68 113.29 1rt4 s LEU 74 Ca 0.32 0.62 -0.02 0.00 0.02 0.00 0.00 54.13 55.06 1rt4 s LEU 74 Cb -0.04 0.92 -0.02 0.00 0.02 0.00 0.00 46.19 47.07 1rt4 s LEU 74 CO 0.18 -0.16 -0.08 -0.69 0.02 0.00 0.00 176.35 175.63 1rt4 s VAL 75 N 1.08 3.43 -1.05 -1.59 1.01 -1.26 0.38 120.40 122.40 1rt4 s VAL 75 Ca -0.08 -0.51 -0.18 0.00 0.00 0.00 0.00 61.98 61.22 1rt4 s VAL 75 Cb -0.08 -2.49 0.13 0.00 0.00 0.00 0.00 36.38 33.93 1rt4 s VAL 75 CO -0.08 0.49 1.30 -0.62 0.00 0.00 0.00 175.10 176.19 1rt4 s ASP 76 N 0.63 6.77 0.00 3.32 2.15 -0.51 -4.86 116.67 124.17 1rt4 s ASP 76 Ca -0.04 -2.30 0.14 0.00 0.43 0.00 0.00 52.55 50.78 1rt4 s ASP 76 Cb -0.15 -2.43 0.86 0.00 -0.30 0.00 0.00 42.92 40.90 1rt4 s ASP 76 CO 0.03 -1.02 1.47 0.49 -0.17 0.00 0.00 175.17 175.96 1rt4 n PHE 77 N 6.64 0.00 -0.30 -5.34 3.72 -1.26 -4.37 117.46 116.54 1rt4 n PHE 77 Ca 0.30 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.68 1rt4 n PHE 77 Cb 0.47 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.02 1rt4 n PHE 77 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1rt4 n ARG 78 N -0.76 -0.21 0.01 -1.08 1.74 -1.26 -0.74 116.66 114.36 1rt4 n ARG 78 Ca 0.11 1.19 -0.12 0.00 -0.77 0.00 0.00 57.85 58.26 1rt4 n ARG 78 Cb 0.05 -1.77 -0.08 0.00 -1.02 0.00 0.00 32.46 29.64 1rt4 n ARG 78 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1rt4 h GLU 79 N 0.00 0.04 -0.64 5.56 4.39 -2.01 -2.66 114.58 119.26 1rt4 h GLU 79 Ca 0.24 -0.01 0.11 0.00 0.34 0.00 0.00 59.36 60.04 1rt4 h GLU 79 Cb 0.44 -0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.00 1rt4 h GLU 79 CO -0.76 0.24 0.24 1.25 -1.16 0.00 0.00 179.01 178.82 1rt4 h LEU 80 N -0.18 0.22 -1.43 1.33 5.85 -1.26 0.38 115.31 120.23 1rt4 h LEU 80 Ca 0.01 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.85 1rt4 h LEU 80 Cb 0.22 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1rt4 h LEU 80 CO -0.00 0.12 0.42 0.78 -0.34 0.00 0.00 178.44 179.42 1rt4 h ASN 81 N 0.41 0.65 -0.21 1.25 2.35 -0.85 -1.05 115.58 118.13 1rt4 h ASN 81 Ca 0.33 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 56.02 1rt4 h ASN 81 Cb 0.44 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 1rt4 h ASN 81 CO -0.34 0.45 -0.04 0.11 -1.65 0.00 0.00 177.43 175.96 1rt4 h LYS 82 N 0.75 0.52 0.00 0.81 1.57 -0.57 -2.83 116.57 116.83 1rt4 h LYS 82 Ca 0.25 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1rt4 h LYS 82 Cb 0.07 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1rt4 h LYS 82 CO -0.07 0.58 -0.43 0.54 -0.57 0.00 0.00 179.45 179.51 1rt4 n ARG 83 N -4.25 0.04 -2.85 3.15 1.74 -0.50 -4.93 116.66 109.05 1rt4 n ARG 83 Ca 0.01 0.01 -0.36 0.00 -0.77 0.00 0.00 57.85 56.75 1rt4 n ARG 83 Cb 0.27 -1.52 -0.06 0.00 -1.02 0.00 0.00 32.46 30.12 1rt4 n ARG 83 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1rt4 s THR 84 N -3.02 4.32 1.09 0.55 2.01 -0.59 -1.66 115.64 118.33 1rt4 s THR 84 Ca 0.11 1.64 -0.12 0.00 0.31 0.00 0.00 61.69 63.63 1rt4 s THR 84 Cb 0.17 -3.89 0.23 0.00 0.01 0.00 0.00 72.50 69.03 1rt4 s THR 84 CO 0.67 0.05 1.03 0.00 -0.69 0.00 0.00 174.62 175.68 1rt4 n GLN 85 N 0.31 -1.74 -3.55 4.92 10.64 -1.11 -4.52 117.38 122.33 1rt4 n GLN 85 Ca 0.02 -0.46 -0.33 0.00 -1.83 0.00 0.00 57.00 54.39 1rt4 n GLN 85 Cb 0.51 -2.23 -0.05 0.00 -0.86 0.00 0.00 30.24 27.61 1rt4 n GLN 85 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1rt4 s ASP 86 N -2.46 6.62 0.39 2.61 1.01 -1.26 -4.91 116.67 118.67 1rt4 s ASP 86 Ca 0.68 0.79 0.08 0.00 0.71 0.00 0.00 52.55 54.80 1rt4 s ASP 86 Cb -0.24 -2.17 -0.05 0.00 1.01 0.00 0.00 42.92 41.46 1rt4 s ASP 86 CO 0.63 0.10 0.17 -0.36 0.21 0.00 0.00 175.17 175.91 1rt4 s PHE 87 N -1.53 2.62 1.16 4.23 0.40 -1.26 -5.13 117.98 118.46 1rt4 s PHE 87 Ca 0.38 -0.53 -0.19 0.00 -0.60 0.00 0.00 56.93 55.99 1rt4 s PHE 87 Cb -0.13 -1.87 0.27 0.00 0.51 0.00 0.00 43.02 41.80 1rt4 s PHE 87 CO 0.20 0.23 1.15 -0.46 0.70 0.00 0.00 175.22 177.03 1rt4 s TRP 88 N -2.56 0.70 -0.15 0.36 -0.00 -1.26 -4.89 118.94 111.15 1rt4 s TRP 88 Ca 0.40 0.47 -0.38 0.00 -0.00 0.00 0.00 56.10 56.59 1rt4 s TRP 88 Cb 0.02 -3.57 -0.18 0.00 -0.00 0.00 0.00 33.47 29.74 1rt4 s TRP 88 CO 0.23 -3.65 1.12 0.39 -0.00 0.00 0.00 176.95 175.03 1rt4 n GLU 89 N -4.58 0.00 -0.04 5.86 1.02 -1.26 -4.92 120.64 116.73 1rt4 n GLU 89 Ca 0.13 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.14 1rt4 n GLU 89 Cb 0.59 -1.35 -0.11 0.00 -0.02 0.00 0.00 31.44 30.55 1rt4 n GLU 89 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1rt4 h VAL 90 N 3.28 1.54 -1.57 2.62 3.04 -1.99 -3.43 116.25 119.75 1rt4 h VAL 90 Ca -0.44 -1.68 -0.23 0.00 -1.01 0.00 0.00 66.70 63.34 1rt4 h VAL 90 Cb 1.27 2.68 -0.26 0.00 -2.01 0.00 0.00 31.29 32.96 1rt4 h VAL 90 CO 0.68 0.43 -0.58 -1.58 -1.01 0.00 0.00 177.57 175.51 1rt4 s GLN 91 N -3.29 0.67 0.00 4.17 2.00 -1.26 -4.98 119.66 116.97 1rt4 s GLN 91 Ca -0.17 -0.50 0.00 0.00 -2.00 0.00 0.00 55.36 52.69 1rt4 s GLN 91 Cb -0.01 -0.37 0.00 0.00 0.80 0.00 0.00 33.01 33.44 1rt4 s GLN 91 CO 0.67 -1.17 0.09 1.47 -0.50 0.00 0.00 175.29 175.85 1rt4 n LEU 92 N 4.47 0.06 0.00 3.68 -0.00 -1.26 -4.74 117.00 119.21 1rt4 n LEU 92 Ca 0.10 -0.03 0.00 0.00 -0.00 0.00 0.00 56.01 56.07 1rt4 n LEU 92 Cb 0.50 -0.03 0.00 0.00 -0.00 0.00 0.00 43.42 43.89 1rt4 n LEU 92 CO 0.04 0.02 0.00 0.61 -0.00 0.00 0.00 177.39 178.06 1rt4 n GLY 93 N 0.06 4.75 3.84 1.47 0.00 -1.26 -5.13 105.19 108.93 1rt4 n GLY 93 Ca 0.00 -1.16 -0.34 0.00 0.00 0.00 0.00 46.02 44.52 1rt4 n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rt4 s ILE 94 N -1.81 5.10 0.10 -0.61 -1.09 -1.26 -5.06 121.20 116.57 1rt4 s ILE 94 Ca 0.00 -0.23 -0.31 0.00 -2.23 0.00 0.00 60.65 57.88 1rt4 s ILE 94 Cb 0.00 -3.34 -0.08 0.00 -1.58 0.00 0.00 42.46 37.46 1rt4 s ILE 94 CO 0.00 0.38 1.40 -2.84 -1.23 0.00 0.00 174.94 172.64 1rt4 s PRO 95 N -1.72 4.31 0.07 2.79 0.02 -1.26 -4.99 135.00 134.22 1rt4 s PRO 95 Ca 0.24 2.07 -0.23 0.00 0.02 0.00 0.00 61.00 63.10 1rt4 s PRO 95 Cb -0.12 -3.28 -0.06 0.00 0.02 0.00 0.00 34.50 31.05 1rt4 s PRO 95 CO 0.15 -0.46 0.71 -1.58 -0.33 0.00 0.00 177.00 175.48 1rt4 s HIS 96 N 1.25 3.78 0.34 6.54 2.46 -1.26 -4.96 115.29 123.43 1rt4 s HIS 96 Ca 0.65 1.43 0.13 0.00 0.47 0.00 0.00 55.06 57.74 1rt4 s HIS 96 Cb -0.36 -2.72 1.06 0.00 -0.13 0.00 0.00 32.58 30.42 1rt4 s HIS 96 CO 0.30 0.39 1.64 -1.35 -2.47 0.00 0.00 174.74 173.26 1rt4 h PRO 97 N 5.18 0.24 0.00 2.88 0.11 -1.95 0.14 132.00 138.60 1rt4 h PRO 97 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1rt4 h PRO 97 Cb 1.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1rt4 h PRO 97 CO 0.68 0.16 0.00 0.00 -0.21 0.00 0.00 178.00 178.63 1rt4 n ALA 98 N -2.39 1.22 0.98 -0.75 0.00 -1.26 -1.62 120.51 116.70 1rt4 n ALA 98 Ca 0.31 0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.99 1rt4 n ALA 98 Cb 0.98 -1.27 0.10 0.00 0.00 0.00 0.00 19.45 19.25 1rt4 n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rt4 n GLY 99 N -0.94 0.95 3.91 0.00 0.00 0.48 -3.94 105.19 105.66 1rt4 n GLY 99 Ca -0.00 -0.68 -0.27 0.00 0.00 0.00 0.00 46.02 45.07 1rt4 n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rt4 s LEU 100 N -1.96 2.90 0.10 0.99 1.43 -0.64 -4.78 118.68 116.72 1rt4 s LEU 100 Ca 0.27 0.70 0.09 0.00 -1.03 0.00 0.00 54.13 54.17 1rt4 s LEU 100 Cb 0.20 -3.40 -0.04 0.00 0.03 0.00 0.00 46.19 42.98 1rt4 s LEU 100 CO 0.30 -1.45 -0.24 -0.54 0.23 0.00 0.00 176.35 174.65 1rt4 s LYS 101 N -5.24 1.33 0.42 1.70 1.02 -1.26 0.17 119.74 117.87 1rt4 s LYS 101 Ca 0.58 -1.21 -0.25 0.00 0.02 0.00 0.00 55.97 55.11 1rt4 s LYS 101 Cb -0.11 -1.67 -0.08 0.00 -0.52 0.00 0.00 37.83 35.46 1rt4 s LYS 101 CO 0.47 0.40 1.19 -1.59 -0.92 0.00 0.00 175.35 174.89 1rt4 s LYS 102 N -1.84 3.95 0.03 1.68 -2.85 -1.26 -4.96 119.74 114.49 1rt4 s LYS 102 Ca 0.10 1.86 0.04 0.00 -1.00 0.00 0.00 55.97 56.98 1rt4 s LYS 102 Cb -0.10 -2.60 -0.02 0.00 -2.06 0.00 0.00 37.83 33.05 1rt4 s LYS 102 CO 0.05 -0.42 -0.13 0.15 0.10 0.00 0.00 175.35 175.10 1rt4 s LYS 103 N -2.41 0.90 0.53 1.78 -0.14 -0.74 -4.96 119.74 114.70 1rt4 s LYS 103 Ca 0.59 -0.69 0.21 0.00 -1.36 0.00 0.00 55.97 54.72 1rt4 s LYS 103 Cb -0.31 -0.89 1.41 0.00 -1.68 0.00 0.00 37.83 36.36 1rt4 s LYS 103 CO 0.39 0.22 2.15 0.87 -0.76 0.00 0.00 175.35 178.22 1rt4 h LYS 104 N 5.09 0.00 -1.88 1.68 1.57 -0.73 -3.42 116.57 118.87 1rt4 h LYS 104 Ca -0.37 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.39 1rt4 h LYS 104 Cb 1.18 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.29 1rt4 h LYS 104 CO 0.45 0.05 0.28 -1.54 -0.57 0.00 0.00 179.45 178.12 1rt4 s SER 105 N -6.69 -0.59 -0.00 0.86 1.04 -1.10 -5.01 113.70 102.22 1rt4 s SER 105 Ca -0.05 0.67 0.00 0.00 0.48 0.00 0.00 55.95 57.05 1rt4 s SER 105 Cb 0.16 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.80 1rt4 s SER 105 CO 0.63 -0.52 -0.01 -0.69 0.98 0.00 0.00 173.24 173.63 1rt4 s VAL 106 N -1.10 0.08 -0.01 5.02 1.01 -1.26 -1.84 120.40 122.31 1rt4 s VAL 106 Ca -0.08 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 61.89 1rt4 s VAL 106 Cb -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 36.38 36.29 1rt4 s VAL 106 CO 0.07 0.03 -0.04 -0.89 0.00 0.00 0.00 175.10 174.28 1rt4 s THR 107 N 0.09 0.35 -0.18 3.92 2.01 0.43 -4.49 115.64 117.76 1rt4 s THR 107 Ca -0.01 -0.16 -0.04 0.00 0.31 0.00 0.00 61.69 61.80 1rt4 s THR 107 Cb -0.02 -0.32 -0.02 0.00 0.01 0.00 0.00 72.50 72.15 1rt4 s THR 107 CO -0.00 0.11 -0.03 0.54 -0.69 0.00 0.00 174.62 174.54 1rt4 s VAL 108 N 0.07 3.71 -0.45 3.82 0.11 -1.25 -0.32 120.40 126.10 1rt4 s VAL 108 Ca -0.00 -0.40 -0.13 0.00 -2.93 0.00 0.00 61.98 58.51 1rt4 s VAL 108 Cb -0.04 -2.65 0.07 0.00 -1.53 0.00 0.00 36.38 32.23 1rt4 s VAL 108 CO -0.00 0.46 0.34 -0.76 -3.33 0.00 0.00 175.10 171.80 1rt4 s LEU 109 N 0.83 5.39 -0.56 2.54 1.02 0.42 -4.11 118.68 124.21 1rt4 s LEU 109 Ca -0.01 -1.33 -0.27 0.00 0.02 0.00 0.00 54.13 52.54 1rt4 s LEU 109 Cb -0.15 -2.11 -0.01 0.00 0.02 0.00 0.00 46.19 43.94 1rt4 s LEU 109 CO 0.02 -0.58 1.72 -0.62 0.02 0.00 0.00 176.35 176.90 1rt4 s ASP 110 N 2.33 5.61 -0.23 2.29 2.15 -1.26 -1.79 116.67 125.77 1rt4 s ASP 110 Ca 0.04 0.43 0.01 0.00 0.43 0.00 0.00 52.55 53.45 1rt4 s ASP 110 Cb -0.23 -2.53 0.23 0.00 -0.30 0.00 0.00 42.92 40.09 1rt4 s ASP 110 CO 0.06 -2.09 1.67 1.33 -0.17 0.00 0.00 175.17 175.96 1rt4 n VAL 111 N 7.11 2.26 0.00 1.11 0.24 -0.08 -4.23 118.33 124.74 1rt4 n VAL 111 Ca 0.18 -1.12 0.00 0.00 -2.04 0.00 0.00 64.34 61.36 1rt4 n VAL 111 Cb 0.50 -1.05 0.00 0.00 -1.47 0.00 0.00 33.84 31.83 1rt4 n VAL 111 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rt4 n GLY 112 N 0.14 0.00 1.85 7.63 0.00 -1.25 -1.24 105.19 112.31 1rt4 n GLY 112 Ca 0.25 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.18 1rt4 n GLY 112 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rt4 n ASP 113 N 0.00 5.40 0.12 1.61 5.75 -1.26 -4.28 116.55 123.90 1rt4 n ASP 113 Ca 0.00 -2.52 0.13 0.00 -0.01 0.00 0.00 54.79 52.39 1rt4 n ASP 113 Cb 0.00 -1.29 0.41 0.00 -1.03 0.00 0.00 41.12 39.21 1rt4 n ASP 113 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1rt4 h ALA 114 N 2.22 1.00 -0.49 2.12 0.00 -1.53 -3.10 119.26 119.49 1rt4 h ALA 114 Ca 0.14 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1rt4 h ALA 114 Cb 1.26 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1rt4 h ALA 114 CO 0.21 0.00 0.26 1.88 0.00 0.00 0.00 179.25 181.60 1rt4 h TYR 115 N 0.00 0.48 0.00 0.00 -1.99 -1.83 -0.99 116.97 112.64 1rt4 h TYR 115 Ca 0.00 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1rt4 h TYR 115 Cb 0.68 -0.14 0.00 0.00 2.00 0.00 0.00 36.73 39.27 1rt4 h TYR 115 CO 0.00 0.24 0.00 1.19 -0.00 0.00 0.00 178.16 179.59 1rt4 n PHE 116 N -4.87 0.00 -0.09 4.88 3.01 -1.17 -3.04 117.46 116.18 1rt4 n PHE 116 Ca 0.04 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.40 1rt4 n PHE 116 Cb 0.12 -0.02 -0.13 0.00 -0.01 0.00 0.00 39.48 39.44 1rt4 n PHE 116 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1rt4 n SER 117 N -0.37 1.08 -4.63 4.37 7.64 -0.38 -4.66 113.62 116.67 1rt4 n SER 117 Ca 0.00 -0.02 -0.42 0.00 1.01 0.00 0.00 58.87 59.43 1rt4 n SER 117 Cb 0.06 0.68 -0.03 0.00 -1.01 0.00 0.00 64.21 63.91 1rt4 n SER 117 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1rt4 s VAL 118 N -2.42 4.67 0.25 0.44 1.01 -1.17 -1.07 120.40 122.12 1rt4 s VAL 118 Ca -0.12 1.54 -0.30 0.00 0.00 0.00 0.00 61.98 63.09 1rt4 s VAL 118 Cb 0.06 -4.27 -0.10 0.00 0.00 0.00 0.00 36.38 32.06 1rt4 s VAL 118 CO 0.66 -0.31 1.51 -2.16 0.00 0.00 0.00 175.10 174.80 1rt4 s PRO 119 N 3.24 4.21 0.64 2.72 0.04 -1.26 -1.61 135.00 142.98 1rt4 s PRO 119 Ca 0.39 2.40 -0.11 0.00 0.04 0.00 0.00 61.00 63.73 1rt4 s PRO 119 Cb -0.14 -3.09 -0.02 0.00 0.04 0.00 0.00 34.50 31.30 1rt4 s PRO 119 CO 0.12 -0.51 1.04 -1.17 0.04 0.00 0.00 177.00 176.51 1rt4 s LEU 120 N -0.21 3.13 -0.23 -3.56 2.96 -0.85 -4.59 118.68 115.34 1rt4 s LEU 120 Ca 0.62 1.26 -0.29 0.00 -0.22 0.00 0.00 54.13 55.50 1rt4 s LEU 120 Cb -0.44 -4.20 -0.04 0.00 0.50 0.00 0.00 46.19 42.01 1rt4 s LEU 120 CO 0.43 -1.03 1.90 -0.62 -1.32 0.00 0.00 176.35 175.71 1rt4 s ASP 121 N -4.25 5.93 0.31 3.68 -1.08 -1.26 -4.86 116.67 115.14 1rt4 s ASP 121 Ca 0.56 1.72 0.01 0.00 -0.52 0.00 0.00 52.55 54.31 1rt4 s ASP 121 Cb -0.11 -2.52 0.74 0.00 -1.46 0.00 0.00 42.92 39.57 1rt4 s ASP 121 CO 0.52 -1.61 1.57 1.05 0.52 0.00 0.00 175.17 177.23 1rt4 h GLU 122 N 12.79 0.01 0.08 4.34 9.09 -1.92 0.02 114.58 138.97 1rt4 h GLU 122 Ca -0.38 -0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.03 1rt4 h GLU 122 Cb 1.19 -0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.29 1rt4 h GLU 122 CO 0.99 0.00 -0.05 -0.44 0.05 0.00 0.00 179.01 179.57 1rt4 h ASP 123 N 0.01 -0.12 -0.28 3.06 5.19 -1.95 -2.80 116.42 119.52 1rt4 h ASP 123 Ca 0.59 0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 57.01 1rt4 h ASP 123 Cb 1.20 0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.74 1rt4 h ASP 123 CO -0.93 -0.08 0.17 0.15 -3.12 0.00 0.00 179.24 175.43 1rt4 h PHE 124 N -0.12 0.38 -0.86 4.55 3.04 -1.27 -3.24 116.94 119.42 1rt4 h PHE 124 Ca -0.00 0.00 0.32 0.00 3.98 0.00 0.00 57.97 62.27 1rt4 h PHE 124 Cb 0.11 -0.13 -0.16 0.00 2.56 0.00 0.00 35.95 38.33 1rt4 h PHE 124 CO -0.09 0.26 0.30 0.54 -2.02 0.00 0.00 178.31 177.31 1rt4 n ARG 125 N -4.47 -0.06 -0.25 1.11 1.74 -0.77 -0.67 116.66 113.29 1rt4 n ARG 125 Ca 0.01 1.23 0.18 0.00 -0.77 0.00 0.00 57.85 58.51 1rt4 n ARG 125 Cb 0.09 -2.11 0.49 0.00 -1.02 0.00 0.00 32.46 29.91 1rt4 n ARG 125 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 1rt4 h LYS 126 N 0.00 0.43 0.00 5.56 2.10 -1.75 -0.25 116.57 122.67 1rt4 h LYS 126 Ca 0.66 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 59.28 1rt4 h LYS 126 Cb 1.63 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.86 1rt4 h LYS 126 CO -0.72 0.29 0.00 1.88 -2.00 0.00 0.00 179.45 178.90 1rt4 h TYR 127 N 0.45 0.00 -0.25 0.07 0.05 -1.18 -2.74 116.97 113.36 1rt4 h TYR 127 Ca 0.48 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.26 1rt4 h TYR 127 Cb 1.13 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.87 1rt4 h TYR 127 CO -0.00 0.00 0.00 0.25 -1.05 0.00 0.00 178.16 177.36 1rt4 n THR 128 N -2.42 0.90 -1.80 -2.88 -2.24 -0.10 -4.64 114.28 101.08 1rt4 n THR 128 Ca 0.01 -0.51 -0.42 0.00 -2.27 0.00 0.00 64.05 60.85 1rt4 n THR 128 Cb 0.18 -0.23 -0.03 0.00 -2.10 0.00 0.00 70.33 68.15 1rt4 n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rt4 s ALA 129 N -1.68 3.88 0.24 6.98 0.00 -1.04 -4.04 121.76 126.10 1rt4 s ALA 129 Ca 0.21 1.51 0.01 0.00 0.00 0.00 0.00 51.96 53.69 1rt4 s ALA 129 Cb 0.15 -3.67 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 1rt4 s ALA 129 CO 0.09 -0.88 0.14 -0.59 0.00 0.00 0.00 175.76 174.52 1rt4 s PHE 130 N 1.20 1.38 -0.03 0.00 -0.12 0.06 -0.46 117.98 120.01 1rt4 s PHE 130 Ca 0.73 -1.36 -0.03 0.00 -0.05 0.00 0.00 56.93 56.22 1rt4 s PHE 130 Cb -0.47 -0.70 0.01 0.00 -0.63 0.00 0.00 43.02 41.22 1rt4 s PHE 130 CO 0.32 -0.57 0.08 0.99 -0.05 0.00 0.00 175.22 175.98 1rt4 s THR 131 N -3.90 0.01 -0.46 -4.49 2.01 -1.26 -1.36 115.64 106.19 1rt4 s THR 131 Ca 0.38 -0.05 -0.11 0.00 0.31 0.00 0.00 61.69 62.22 1rt4 s THR 131 Cb 0.06 -0.14 0.10 0.00 0.01 0.00 0.00 72.50 72.54 1rt4 s THR 131 CO 0.15 -0.03 0.34 -0.63 -0.69 0.00 0.00 174.62 173.76 1rt4 s ILE 132 N -0.05 4.50 0.72 1.82 -1.09 -0.11 -4.59 121.20 122.40 1rt4 s ILE 132 Ca -0.01 -1.50 -0.11 0.00 -2.23 0.00 0.00 60.65 56.79 1rt4 s ILE 132 Cb -0.01 -3.83 0.02 0.00 -1.58 0.00 0.00 42.46 37.06 1rt4 s ILE 132 CO 0.00 -0.66 1.09 -2.16 -1.23 0.00 0.00 174.94 171.98 1rt4 s PRO 133 N 1.46 2.71 0.63 2.79 0.04 -1.26 -0.59 135.00 140.78 1rt4 s PRO 133 Ca 0.04 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.61 1rt4 s PRO 133 Cb -0.25 -2.00 0.08 0.00 0.04 0.00 0.00 34.50 32.36 1rt4 s PRO 133 CO 0.02 -1.16 0.88 0.45 0.04 0.00 0.00 177.00 177.23 1rt4 s SER 134 N -4.23 4.85 0.32 6.66 0.15 -1.26 -4.90 113.70 115.29 1rt4 s SER 134 Ca 0.59 -0.17 0.17 0.00 0.70 0.00 0.00 55.95 57.24 1rt4 s SER 134 Cb -0.12 -0.48 0.37 0.00 -1.71 0.00 0.00 66.02 64.08 1rt4 s SER 134 CO 0.52 -1.48 1.58 0.40 1.20 0.00 0.00 173.24 175.47 1rt4 h ILE 135 N -0.22 0.91 0.00 6.45 1.08 -1.96 -3.45 117.51 120.32 1rt4 h ILE 135 Ca -0.39 -1.93 0.00 0.00 -0.39 0.00 0.00 64.86 62.15 1rt4 h ILE 135 Cb 1.28 2.20 0.00 0.00 -3.07 0.00 0.00 36.82 37.23 1rt4 h ILE 135 CO 0.47 0.45 0.00 -0.46 -0.69 0.00 0.00 178.15 177.93 1rt4 n ASN 136 N -3.38 0.23 -3.54 1.72 0.23 -1.26 -5.05 115.26 104.21 1rt4 n ASN 136 Ca 0.01 -1.11 0.00 0.00 -0.53 0.00 0.00 54.58 52.95 1rt4 n ASN 136 Cb 0.63 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.29 1rt4 n ASN 136 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1rt4 s ILE 142 N -0.11 -0.79 0.18 1.53 1.09 0.24 -5.12 121.20 118.23 1rt4 s ILE 142 Ca 0.00 0.00 -0.05 0.00 -1.10 0.00 0.00 60.65 59.50 1rt4 s ILE 142 Cb 0.00 -1.00 -0.06 0.00 -1.06 0.00 0.00 42.46 40.34 1rt4 s ILE 142 CO 0.00 0.00 0.43 -0.13 -0.10 0.00 0.00 174.94 175.14 1rt4 s ARG 143 N 2.71 3.64 0.26 2.79 0.52 -1.26 -0.93 118.95 126.68 1rt4 s ARG 143 Ca -0.04 -0.05 -0.06 0.00 -0.52 0.00 0.00 55.73 55.06 1rt4 s ARG 143 Cb -0.10 -2.79 -0.01 0.00 0.52 0.00 0.00 34.95 32.57 1rt4 s ARG 143 CO -0.18 0.41 0.37 0.71 0.02 0.00 0.00 175.30 176.63 1rt4 s TYR 144 N -1.76 0.83 -0.02 -0.53 2.02 -0.46 -3.08 117.35 114.36 1rt4 s TYR 144 Ca 0.42 -1.10 -0.25 0.00 -0.37 0.00 0.00 57.07 55.77 1rt4 s TYR 144 Cb -0.12 -0.13 0.05 0.00 -0.40 0.00 0.00 41.96 41.37 1rt4 s TYR 144 CO 0.25 -0.93 0.55 1.14 -1.57 0.00 0.00 175.55 174.99 1rt4 s GLN 145 N -3.77 0.96 0.15 -0.62 -2.07 -0.84 -0.76 119.66 112.70 1rt4 s GLN 145 Ca 0.30 0.04 -0.26 0.00 -1.82 0.00 0.00 55.36 53.62 1rt4 s GLN 145 Cb 0.02 0.44 -0.08 0.00 -1.09 0.00 0.00 33.01 32.30 1rt4 s GLN 145 CO 0.14 -0.30 0.79 0.71 -1.32 0.00 0.00 175.29 175.30 1rt4 s TYR 146 N -1.49 3.88 -0.95 9.60 1.51 -1.26 -1.97 117.35 126.67 1rt4 s TYR 146 Ca -0.10 1.62 0.14 0.00 -1.01 0.00 0.00 57.07 57.72 1rt4 s TYR 146 Cb -0.01 -2.79 -0.08 0.00 -0.11 0.00 0.00 41.96 38.96 1rt4 s TYR 146 CO 0.06 0.47 0.67 0.09 -1.11 0.00 0.00 175.55 175.73 1rt4 n ASN 147 N 1.82 1.03 -4.36 2.29 3.02 -0.58 -4.68 115.26 113.80 1rt4 n ASN 147 Ca -0.05 -1.02 -0.18 0.00 -0.03 0.00 0.00 54.58 53.30 1rt4 n ASN 147 Cb 0.49 0.76 -0.10 0.00 -0.61 0.00 0.00 39.78 40.31 1rt4 n ASN 147 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1rt4 s VAL 148 N -2.04 0.99 -0.19 2.41 0.11 -1.24 -2.00 120.40 118.44 1rt4 s VAL 148 Ca 0.08 -2.02 -0.36 0.00 -2.93 0.00 0.00 61.98 56.75 1rt4 s VAL 148 Cb 0.11 -2.53 -0.13 0.00 -1.53 0.00 0.00 36.38 32.30 1rt4 s VAL 148 CO 0.47 -0.17 1.87 0.18 -3.33 0.00 0.00 175.10 174.12 1rt4 n LEU 149 N -0.50 2.94 -4.73 2.54 4.77 -0.63 -4.58 117.00 116.81 1rt4 n LEU 149 Ca -0.03 0.94 -0.41 0.00 -0.03 0.00 0.00 56.01 56.48 1rt4 n LEU 149 Cb 0.65 -1.28 -0.04 0.00 -2.33 0.00 0.00 43.42 40.42 1rt4 n LEU 149 CO 0.38 -0.26 0.55 -2.84 -1.33 0.00 0.00 177.39 173.89 1rt4 s PRO 150 N 4.17 4.55 0.10 3.23 0.02 -1.26 -4.07 135.00 141.74 1rt4 s PRO 150 Ca 0.97 1.21 -0.31 0.00 0.02 0.00 0.00 61.00 62.89 1rt4 s PRO 150 Cb -0.84 -3.40 -0.09 0.00 0.02 0.00 0.00 34.50 30.19 1rt4 s PRO 150 CO 0.56 0.17 1.69 -1.14 -0.33 0.00 0.00 177.00 177.96 1rt4 s GLN 151 N 0.27 4.18 0.00 5.54 2.00 -1.26 -1.78 119.66 128.61 1rt4 s GLN 151 Ca 0.43 2.41 0.00 0.00 -2.00 0.00 0.00 55.36 56.20 1rt4 s GLN 151 Cb -0.21 -3.54 0.00 0.00 0.80 0.00 0.00 33.01 30.06 1rt4 s GLN 151 CO 0.25 -0.75 0.00 0.41 -0.50 0.00 0.00 175.29 174.70 1rt4 n GLY 152 N 4.03 1.80 3.71 2.59 0.00 -1.26 -4.85 105.19 111.22 1rt4 n GLY 152 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1rt4 n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1rt4 s TRP 153 N -2.46 3.64 0.27 1.61 -0.00 -0.73 -4.82 118.94 116.45 1rt4 s TRP 153 Ca 0.00 1.65 -0.08 0.00 -0.00 0.00 0.00 56.10 57.67 1rt4 s TRP 153 Cb 0.00 -3.16 0.45 0.00 -0.00 0.00 0.00 33.47 30.75 1rt4 s TRP 153 CO 0.00 -0.19 1.50 1.17 -0.00 0.00 0.00 176.95 179.43 1rt4 n LYS 154 N 3.78 -0.09 0.05 5.86 4.81 -1.26 -1.32 118.16 129.99 1rt4 n LYS 154 Ca 0.06 1.50 0.12 0.00 -0.87 0.00 0.00 58.31 59.12 1rt4 n LYS 154 Cb 0.50 -2.24 0.47 0.00 0.02 0.00 0.00 35.03 33.78 1rt4 n LYS 154 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1rt4 n GLY 155 N -1.60 -1.41 0.45 3.14 0.00 -1.26 -4.28 105.19 100.23 1rt4 n GLY 155 Ca 0.15 -0.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 1rt4 n GLY 155 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1rt4 h SER 156 N 0.00 -1.32 -0.67 1.61 0.02 -1.51 -1.60 113.55 110.08 1rt4 h SER 156 Ca 0.00 0.13 0.06 0.00 -0.84 0.00 0.00 61.79 61.14 1rt4 h SER 156 Cb 0.49 0.47 -0.06 0.00 0.14 0.00 0.00 62.40 63.44 1rt4 h SER 156 CO 0.00 -0.56 0.37 -0.65 -1.14 0.00 0.00 176.83 174.85 1rt4 h PRO 157 N -0.80 0.65 0.70 3.45 0.11 -1.78 0.14 132.00 134.47 1rt4 h PRO 157 Ca -0.01 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.03 1rt4 h PRO 157 Cb 0.76 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.71 1rt4 h PRO 157 CO -0.17 0.43 -0.48 0.00 -0.21 0.00 0.00 178.00 177.57 1rt4 h ALA 158 N 1.36 -1.23 -0.62 -0.75 0.00 -1.76 -1.36 119.26 114.88 1rt4 h ALA 158 Ca 0.30 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 55.04 1rt4 h ALA 158 Cb 0.21 0.62 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 1rt4 h ALA 158 CO -0.19 -1.21 0.34 0.82 0.00 0.00 0.00 179.25 179.01 1rt4 h ILE 159 N -1.11 0.97 -0.73 0.00 2.04 -1.08 -2.45 117.51 115.15 1rt4 h ILE 159 Ca -0.09 -0.22 0.06 0.00 1.00 0.00 0.00 64.86 65.60 1rt4 h ILE 159 Cb 0.91 0.27 -0.06 0.00 -0.74 0.00 0.00 36.82 37.21 1rt4 h ILE 159 CO 0.06 0.12 0.43 0.15 0.00 0.00 0.00 178.15 178.91 1rt4 h PHE 160 N 0.64 0.80 0.89 1.37 3.57 -0.59 -1.52 116.94 122.10 1rt4 h PHE 160 Ca 0.28 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.76 1rt4 h PHE 160 Cb 0.16 -0.25 0.01 0.00 2.79 0.00 0.00 35.95 38.66 1rt4 h PHE 160 CO -0.08 0.40 -0.43 0.37 -2.23 0.00 0.00 178.31 176.34 1rt4 h GLN 161 N 0.80 -1.16 -0.84 1.11 5.75 -0.77 -1.96 115.11 118.04 1rt4 h GLN 161 Ca 0.32 0.08 0.18 0.00 -0.15 0.00 0.00 58.65 59.08 1rt4 h GLN 161 Cb 0.16 0.26 -0.06 0.00 1.07 0.00 0.00 27.48 28.91 1rt4 h GLN 161 CO -0.17 -0.77 0.56 0.66 -2.65 0.00 0.00 178.83 176.46 1rt4 h SER 162 N -1.27 0.37 0.26 -0.69 4.64 -1.38 -0.09 113.55 115.39 1rt4 h SER 162 Ca -0.12 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.22 1rt4 h SER 162 Cb 0.92 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1rt4 h SER 162 CO 0.20 0.17 -0.12 0.28 -0.87 0.00 0.00 176.83 176.49 1rt4 h SER 163 N 0.38 -0.29 -0.86 4.97 0.02 -1.09 -2.19 113.55 114.48 1rt4 h SER 163 Ca 0.43 -0.09 0.06 0.00 -0.84 0.00 0.00 61.79 61.35 1rt4 h SER 163 Cb 1.07 0.08 -0.05 0.00 0.14 0.00 0.00 62.40 63.63 1rt4 h SER 163 CO -0.14 -0.09 0.56 -0.03 -1.14 0.00 0.00 176.83 175.98 1rt4 h MET 164 N -0.48 0.95 -0.07 3.45 -1.53 -0.29 -1.81 114.93 115.14 1rt4 h MET 164 Ca -0.04 -0.06 0.03 0.00 -3.44 0.00 0.00 59.70 56.20 1rt4 h MET 164 Cb 0.36 -0.21 -0.04 0.00 -0.55 0.00 0.00 31.60 31.16 1rt4 h MET 164 CO 0.06 0.63 -0.14 1.15 0.14 0.00 0.00 176.91 178.75 1rt4 h THR 165 N 0.98 0.65 0.87 -0.77 2.02 -0.75 -0.12 112.91 115.79 1rt4 h THR 165 Ca 0.37 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.51 1rt4 h THR 165 Cb 0.18 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1rt4 h THR 165 CO -0.13 0.00 -0.49 0.11 0.37 0.00 0.00 175.52 175.38 1rt4 h LYS 166 N -0.19 -1.22 -1.04 6.66 1.79 -0.76 -1.04 116.57 120.77 1rt4 h LYS 166 Ca 0.07 0.08 0.28 0.00 -2.18 0.00 0.00 60.65 58.90 1rt4 h LYS 166 Cb 0.29 0.28 -0.12 0.00 -1.58 0.00 0.00 32.23 31.10 1rt4 h LYS 166 CO -0.19 -0.81 0.64 0.82 -1.08 0.00 0.00 179.45 178.83 1rt4 h ILE 167 N -1.27 0.47 0.00 1.86 2.04 -1.22 0.62 117.51 120.01 1rt4 h ILE 167 Ca -0.12 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1rt4 h ILE 167 Cb 1.00 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1rt4 h ILE 167 CO 0.15 0.08 -0.30 -0.07 0.00 0.00 0.00 178.15 178.01 1rt4 h LEU 168 N 0.44 0.00 -0.54 1.44 4.07 -0.76 -3.37 115.31 116.59 1rt4 h LEU 168 Ca 0.65 -0.02 0.11 0.00 0.08 0.00 0.00 57.88 58.70 1rt4 h LEU 168 Cb 1.49 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 43.12 1rt4 h LEU 168 CO -0.42 0.01 -0.15 -0.08 -1.08 0.00 0.00 178.44 176.72 1rt4 h GLU 169 N 0.00 -0.02 0.10 1.13 4.81 0.49 0.49 114.58 121.58 1rt4 h GLU 169 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1rt4 h GLU 169 Cb 0.95 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.34 1rt4 h GLU 169 CO 0.00 -0.01 -0.05 -1.00 -0.73 0.00 0.00 179.01 177.22 1rt4 h PRO 170 N -0.02 -0.13 -0.93 0.92 0.13 -1.73 -1.85 132.00 128.40 1rt4 h PRO 170 Ca 0.26 0.01 0.13 0.00 -0.87 0.00 0.00 66.00 65.52 1rt4 h PRO 170 Cb 0.42 0.03 -0.09 0.00 0.13 0.00 0.00 31.00 31.49 1rt4 h PRO 170 CO -0.57 0.06 0.55 0.35 -0.23 0.00 0.00 178.00 178.16 1rt4 h PHE 171 N -0.30 0.99 -0.10 1.56 3.04 -1.64 0.20 116.94 120.69 1rt4 h PHE 171 Ca -0.01 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.96 1rt4 h PHE 171 Cb 0.25 -0.30 -0.00 0.00 2.56 0.00 0.00 35.95 38.45 1rt4 h PHE 171 CO -0.02 0.35 0.04 0.00 -2.02 0.00 0.00 178.31 176.66 1rt4 h ARG 172 N 0.85 0.15 -0.36 1.11 3.08 -0.78 0.21 114.38 118.64 1rt4 h ARG 172 Ca 0.47 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.52 1rt4 h ARG 172 Cb 0.53 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 1rt4 h ARG 172 CO -0.29 0.26 0.18 0.87 -1.07 0.00 0.00 179.97 179.91 1rt4 h LYS 173 N 0.02 0.36 0.00 0.04 1.79 -0.39 -0.93 116.57 117.45 1rt4 h LYS 173 Ca 0.03 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.45 1rt4 h LYS 173 Cb 0.16 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 30.72 1rt4 h LYS 173 CO -0.00 0.24 -0.16 1.96 -1.08 0.00 0.00 179.45 180.40 1rt4 h GLN 174 N 0.37 0.00 -2.17 3.15 4.20 -0.45 -3.32 115.11 116.89 1rt4 h GLN 174 Ca 0.15 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.28 1rt4 h GLN 174 Cb 0.07 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 27.45 1rt4 h GLN 174 CO -0.11 0.16 -0.91 0.09 -0.67 0.00 0.00 178.83 177.39 1rt4 n ASN 175 N -3.91 1.30 0.00 1.46 3.02 0.70 -4.95 115.26 112.90 1rt4 n ASN 175 Ca -0.02 -2.90 0.06 0.00 -0.03 0.00 0.00 54.58 51.69 1rt4 n ASN 175 Cb 0.25 -0.65 0.32 0.00 -0.61 0.00 0.00 39.78 39.10 1rt4 n ASN 175 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1rt4 n PRO 176 N 1.46 0.20 -0.06 3.52 -0.04 -0.67 -1.81 135.00 137.60 1rt4 n PRO 176 Ca 0.25 0.15 0.12 0.00 -0.04 0.00 0.00 63.50 63.98 1rt4 n PRO 176 Cb 0.48 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.63 1rt4 n PRO 176 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1rt4 n ASP 177 N -1.26 2.92 -4.47 3.54 5.68 -1.26 -4.90 116.55 116.80 1rt4 n ASP 177 Ca 0.06 -1.93 -0.33 0.00 -0.50 0.00 0.00 54.79 52.09 1rt4 n ASP 177 Cb 0.09 -0.08 -0.13 0.00 -1.14 0.00 0.00 41.12 39.86 1rt4 n ASP 177 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1rt4 s ILE 178 N -1.84 3.60 -0.25 2.12 1.01 -0.75 -4.60 121.20 120.49 1rt4 s ILE 178 Ca 0.33 -0.47 -0.08 0.00 0.00 0.00 0.00 60.65 60.42 1rt4 s ILE 178 Cb 0.21 -2.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.11 1rt4 s ILE 178 CO 0.31 0.52 0.09 -0.69 0.00 0.00 0.00 174.94 175.17 1rt4 s VAL 179 N 0.16 4.51 0.07 2.92 1.01 -0.72 -4.99 120.40 123.37 1rt4 s VAL 179 Ca -0.03 -0.11 0.07 0.00 0.00 0.00 0.00 61.98 61.91 1rt4 s VAL 179 Cb -0.14 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1rt4 s VAL 179 CO 0.04 0.33 -0.14 -0.63 0.00 0.00 0.00 175.10 174.70 1rt4 s ILE 180 N 1.53 3.11 -0.14 2.22 1.01 -1.26 -0.16 121.20 127.52 1rt4 s ILE 180 Ca 0.06 -1.23 -0.04 0.00 0.00 0.00 0.00 60.65 59.44 1rt4 s ILE 180 Cb -0.15 -2.39 0.07 0.00 0.01 0.00 0.00 42.46 40.00 1rt4 s ILE 180 CO 0.05 0.22 0.23 -0.47 0.00 0.00 0.00 174.94 174.97 1rt4 s TYR 181 N -1.08 -0.35 -0.09 3.97 5.04 0.13 -4.98 117.35 119.99 1rt4 s TYR 181 Ca 0.18 0.75 -0.09 0.00 -2.44 0.00 0.00 57.07 55.47 1rt4 s TYR 181 Cb -0.11 -0.15 -0.04 0.00 0.35 0.00 0.00 41.96 42.01 1rt4 s TYR 181 CO 0.09 -0.39 0.21 -1.14 -1.34 0.00 0.00 175.55 172.98 1rt4 s GLN 182 N 2.38 3.57 -0.22 4.97 0.74 -1.26 -0.64 119.66 129.20 1rt4 s GLN 182 Ca 0.03 0.01 -0.03 0.00 0.05 0.00 0.00 55.36 55.41 1rt4 s GLN 182 Cb -0.13 -3.20 0.11 0.00 1.10 0.00 0.00 33.01 30.89 1rt4 s GLN 182 CO -0.09 0.75 0.30 -0.47 -0.55 0.00 0.00 175.29 175.23 1rt4 s TYR 183 N -1.02 -0.55 0.00 1.67 5.04 -0.78 -5.02 117.35 116.70 1rt4 s TYR 183 Ca 0.17 0.57 0.00 0.00 -2.44 0.00 0.00 57.07 55.37 1rt4 s TYR 183 Cb -0.13 -0.16 0.00 0.00 0.35 0.00 0.00 41.96 42.02 1rt4 s TYR 183 CO 0.06 -0.64 0.00 -1.33 -1.34 0.00 0.00 175.55 172.30 1rt4 n MET 184 N 5.34 0.00 -0.39 4.97 2.81 -1.26 -1.19 117.12 127.41 1rt4 n MET 184 Ca -0.05 0.00 0.08 0.00 -1.81 0.00 0.00 57.70 55.92 1rt4 n MET 184 Cb 0.50 0.00 0.24 0.00 -0.71 0.00 0.00 33.22 33.25 1rt4 n MET 184 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1rt4 n ASP 185 N 8.73 3.74 -4.80 7.83 5.68 -1.26 -4.96 116.55 131.50 1rt4 n ASP 185 Ca 0.00 -2.50 -0.34 0.00 -0.50 0.00 0.00 54.79 51.45 1rt4 n ASP 185 Cb 0.00 -0.43 -0.07 0.00 -1.14 0.00 0.00 41.12 39.48 1rt4 n ASP 185 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1rt4 s ASP 186 N -1.33 5.83 -0.35 -1.12 1.01 -0.33 -0.91 116.67 119.47 1rt4 s ASP 186 Ca 0.37 0.23 0.02 0.00 0.71 0.00 0.00 52.55 53.88 1rt4 s ASP 186 Cb 0.25 -1.74 0.10 0.00 1.01 0.00 0.00 42.92 42.55 1rt4 s ASP 186 CO 0.15 0.31 0.09 -0.22 0.21 0.00 0.00 175.17 175.72 1rt4 s LEU 187 N -1.50 3.68 -0.22 1.23 2.96 -0.74 -1.86 118.68 122.23 1rt4 s LEU 187 Ca 0.20 -2.06 -0.26 0.00 -0.22 0.00 0.00 54.13 51.79 1rt4 s LEU 187 Cb -0.12 -1.31 -0.00 0.00 0.50 0.00 0.00 46.19 45.25 1rt4 s LEU 187 CO 0.11 -0.38 0.89 -0.31 -1.32 0.00 0.00 176.35 175.34 1rt4 s TYR 188 N 1.04 3.34 -0.14 5.38 1.51 0.19 -0.44 117.35 128.24 1rt4 s TYR 188 Ca 0.11 1.25 0.01 0.00 -1.01 0.00 0.00 57.07 57.43 1rt4 s TYR 188 Cb -0.19 -3.10 0.02 0.00 -0.11 0.00 0.00 41.96 38.57 1rt4 s TYR 188 CO -0.13 -0.39 -0.17 0.08 -1.11 0.00 0.00 175.55 173.83 1rt4 s VAL 189 N 2.80 1.73 0.35 0.71 1.01 0.56 0.21 120.40 127.77 1rt4 s VAL 189 Ca 0.38 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.65 1rt4 s VAL 189 Cb -0.15 -1.57 -0.07 0.00 0.00 0.00 0.00 36.38 34.58 1rt4 s VAL 189 CO 0.08 0.49 0.03 -0.83 0.00 0.00 0.00 175.10 174.86 1rt4 s GLY 190 N 1.13 2.22 0.08 4.51 0.00 0.78 -0.43 107.32 115.60 1rt4 s GLY 190 Ca -0.02 -2.14 -0.26 0.00 0.00 0.00 0.00 44.72 42.30 1rt4 s GLY 190 CO -0.06 -1.93 1.17 -1.35 0.00 0.00 0.00 173.10 170.93 1rt4 s SER 191 N -3.57 -0.01 -0.11 1.64 1.04 -0.76 -1.75 113.70 110.17 1rt4 s SER 191 Ca 0.35 -0.40 0.15 0.00 0.48 0.00 0.00 55.95 56.53 1rt4 s SER 191 Cb 0.09 0.31 0.27 0.00 0.10 0.00 0.00 66.02 66.79 1rt4 s SER 191 CO 0.16 -0.62 1.14 0.47 0.98 0.00 0.00 173.24 175.37 1rt4 n ASP 192 N -1.03 1.74 -4.90 7.02 8.00 -1.26 -0.03 116.55 126.09 1rt4 n ASP 192 Ca -0.01 -2.98 -0.28 0.00 0.71 0.00 0.00 54.79 52.23 1rt4 n ASP 192 Cb 0.60 -0.40 0.04 0.00 -0.02 0.00 0.00 41.12 41.33 1rt4 n ASP 192 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1rt4 s LEU 193 N -2.27 3.13 0.35 0.64 1.43 -1.26 -4.84 118.68 115.85 1rt4 s LEU 193 Ca 0.27 0.87 -0.28 0.00 -1.03 0.00 0.00 54.13 53.97 1rt4 s LEU 193 Cb 0.25 -3.70 -0.10 0.00 0.03 0.00 0.00 46.19 42.68 1rt4 s LEU 193 CO -0.00 -1.14 1.23 -0.70 0.23 0.00 0.00 176.35 175.97 1rt4 s GLU 194 N -5.11 4.30 0.27 1.70 2.12 -1.26 -4.73 118.70 115.98 1rt4 s GLU 194 Ca 0.55 2.04 0.02 0.00 0.36 0.00 0.00 54.97 57.94 1rt4 s GLU 194 Cb -0.11 -2.97 0.66 0.00 0.26 0.00 0.00 34.13 31.98 1rt4 s GLU 194 CO 0.48 -0.17 1.35 0.44 -0.54 0.00 0.00 175.26 176.81 1rt4 n ILE 195 N 0.63 -0.36 -0.14 -3.70 -5.35 -1.26 -0.58 119.36 108.59 1rt4 n ILE 195 Ca 0.01 1.90 -0.08 0.00 -0.27 0.00 0.00 62.75 64.31 1rt4 n ILE 195 Cb 0.44 -2.77 0.00 0.00 -1.74 0.00 0.00 39.64 35.57 1rt4 n ILE 195 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1rt4 h GLY 196 N 0.00 0.63 0.92 3.28 0.00 -1.99 0.10 103.07 106.02 1rt4 h GLY 196 Ca 0.52 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 1rt4 h GLY 196 CO -0.81 0.26 0.13 -1.61 0.00 0.00 0.00 176.54 174.51 1rt4 h GLN 197 N 0.57 0.40 -0.01 4.80 -0.00 -1.21 -2.03 115.11 117.63 1rt4 h GLN 197 Ca 0.15 -0.06 0.03 0.00 -0.00 0.00 0.00 58.65 58.77 1rt4 h GLN 197 Cb 0.02 -0.07 -0.04 0.00 0.00 0.00 0.00 27.48 27.38 1rt4 h GLN 197 CO -0.03 0.40 -0.24 1.25 0.00 0.00 0.00 178.83 180.21 1rt4 h HIS 198 N 0.31 -0.65 -0.92 3.99 2.76 -0.95 -0.88 115.15 118.81 1rt4 h HIS 198 Ca 0.09 0.02 0.19 0.00 -2.20 0.00 0.00 60.37 58.47 1rt4 h HIS 198 Cb 0.14 0.29 -0.11 0.00 1.55 0.00 0.00 27.41 29.28 1rt4 h HIS 198 CO -0.02 -0.33 0.49 -0.09 -1.30 0.00 0.00 177.93 176.68 1rt4 h ARG 199 N -0.37 0.58 0.27 5.26 2.43 -0.61 -0.83 114.38 121.10 1rt4 h ARG 199 Ca 0.07 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1rt4 h ARG 199 Cb 0.46 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1rt4 h ARG 199 CO -0.23 0.38 -0.13 1.15 -1.51 0.00 0.00 179.97 179.64 1rt4 h THR 200 N 0.60 0.78 -0.87 0.20 2.02 -0.52 -2.50 112.91 112.62 1rt4 h THR 200 Ca 0.54 -0.31 0.05 0.00 0.77 0.00 0.00 66.41 67.45 1rt4 h THR 200 Cb 0.88 0.96 -0.05 0.00 -1.74 0.00 0.00 68.15 68.19 1rt4 h THR 200 CO -0.42 0.07 0.57 0.11 0.37 0.00 0.00 175.52 176.21 1rt4 h LYS 201 N -0.52 1.00 0.06 6.66 1.79 -0.28 0.37 116.57 125.64 1rt4 h LYS 201 Ca -0.04 -0.06 0.01 0.00 -2.18 0.00 0.00 60.65 58.38 1rt4 h LYS 201 Cb 0.39 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 1rt4 h LYS 201 CO 0.06 0.66 -0.10 0.82 -1.08 0.00 0.00 179.45 179.81 1rt4 h ILE 202 N 1.03 0.76 -0.60 1.86 1.08 -1.10 0.26 117.51 120.79 1rt4 h ILE 202 Ca 0.36 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.87 1rt4 h ILE 202 Cb 0.12 0.76 -0.05 0.00 -3.07 0.00 0.00 36.82 34.58 1rt4 h ILE 202 CO -0.12 0.00 0.34 -0.08 -0.69 0.00 0.00 178.15 177.60 1rt4 h GLU 203 N -0.20 0.64 -0.92 2.37 4.57 -0.83 0.47 114.58 120.69 1rt4 h GLU 203 Ca 0.02 -0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.20 1rt4 h GLU 203 Cb 0.22 -0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 28.61 1rt4 h GLU 203 CO -0.06 0.42 0.60 1.49 -1.18 0.00 0.00 179.01 180.28 1rt4 h GLU 204 N 0.66 1.09 -0.01 1.92 4.81 -0.25 0.27 114.58 123.07 1rt4 h GLU 204 Ca 0.26 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1rt4 h GLU 204 Cb 0.10 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.23 1rt4 h GLU 204 CO -0.14 0.72 -0.00 1.25 -0.73 0.00 0.00 179.01 180.11 1rt4 h LEU 205 N 1.12 0.02 -1.12 1.64 6.46 0.86 -0.24 115.31 124.06 1rt4 h LEU 205 Ca 0.37 -0.40 0.14 0.00 -0.12 0.00 0.00 57.88 57.87 1rt4 h LEU 205 Cb 0.07 -0.01 -0.08 0.00 -0.73 0.00 0.00 40.66 39.91 1rt4 h LEU 205 CO -0.12 0.42 0.61 -0.09 -0.62 0.00 0.00 178.44 178.64 1rt4 h ARG 206 N -0.38 0.83 -0.05 1.25 2.43 0.88 0.23 114.38 119.57 1rt4 h ARG 206 Ca 0.00 -0.05 -0.21 0.00 -0.81 0.00 0.00 59.98 58.92 1rt4 h ARG 206 Cb 0.41 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1rt4 h ARG 206 CO 0.00 0.55 -0.82 1.96 -1.51 0.00 0.00 179.97 180.15 1rt4 h GLN 207 N 0.85 0.45 -0.78 0.20 4.20 -0.37 0.19 115.11 119.85 1rt4 h GLN 207 Ca 0.49 -0.41 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 1rt4 h GLN 207 Cb 0.62 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.47 1rt4 h GLN 207 CO -0.25 1.06 0.38 1.25 -0.67 0.00 0.00 178.83 180.59 1rt4 h HIS 208 N 0.28 1.12 -0.19 2.96 2.76 0.10 0.10 115.15 122.30 1rt4 h HIS 208 Ca -0.05 -0.05 -0.07 0.00 -2.20 0.00 0.00 60.37 57.99 1rt4 h HIS 208 Cb 1.43 -0.35 -0.00 0.00 1.55 0.00 0.00 27.41 30.04 1rt4 h HIS 208 CO 0.05 0.82 -0.15 -0.07 -1.30 0.00 0.00 177.93 177.29 1rt4 h LEU 209 N 1.10 0.45 -2.02 0.26 3.38 -0.53 -2.83 115.31 115.12 1rt4 h LEU 209 Ca 0.27 -0.46 0.12 0.00 0.09 0.00 0.00 57.88 57.91 1rt4 h LEU 209 Cb 0.12 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1rt4 h LEU 209 CO -0.03 0.81 0.32 0.25 0.09 0.00 0.00 178.44 179.88 1rt4 h LEU 210 N 0.10 0.00 -0.44 1.67 5.85 -0.53 0.17 115.31 122.14 1rt4 h LEU 210 Ca 0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1rt4 h LEU 210 Cb 0.67 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.70 1rt4 h LEU 210 CO 0.04 0.00 0.00 -1.14 -0.34 0.00 0.00 178.44 177.00 1rt4 n ARG 211 N -4.29 0.07 -0.46 1.25 3.00 -0.01 -1.02 116.66 115.19 1rt4 n ARG 211 Ca 0.07 0.43 0.05 0.00 -0.00 0.00 0.00 57.85 58.40 1rt4 n ARG 211 Cb 0.52 -1.68 0.19 0.00 0.00 0.00 0.00 32.46 31.50 1rt4 n ARG 211 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.63 178.54 1rt4 n TRP 212 N -1.82 0.43 -0.45 -0.14 7.02 0.60 -4.96 117.44 118.11 1rt4 n TRP 212 Ca 0.01 -1.26 0.00 0.00 -1.02 0.00 0.00 57.50 55.23 1rt4 n TRP 212 Cb 0.11 -0.29 0.00 0.00 -2.42 0.00 0.00 31.31 28.71 1rt4 n TRP 212 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1rt4 n GLY 213 N -1.11 1.33 3.56 6.99 0.00 -0.19 -4.40 105.19 111.37 1rt4 n GLY 213 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 1rt4 n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rt4 s LEU 214 N 0.00 3.33 0.23 0.99 1.43 -1.12 -4.65 118.68 118.90 1rt4 s LEU 214 Ca 0.00 -0.85 -0.30 0.00 -1.03 0.00 0.00 54.13 51.95 1rt4 s LEU 214 Cb 0.00 -2.56 -0.09 0.00 0.03 0.00 0.00 46.19 43.57 1rt4 s LEU 214 CO 0.00 -1.96 1.31 0.28 0.23 0.00 0.00 176.35 176.21 1rt4 s THR 215 N 6.75 3.08 0.07 5.49 -1.32 -1.26 -3.48 115.64 124.97 1rt4 s THR 215 Ca 0.51 0.93 0.04 0.00 -1.21 0.00 0.00 61.69 61.96 1rt4 s THR 215 Cb -0.05 -3.59 -0.03 0.00 -1.51 0.00 0.00 72.50 67.32 1rt4 s THR 215 CO 0.01 0.16 -0.10 -0.89 -2.21 0.00 0.00 174.62 171.59 1rt4 s THR 216 N -0.21 0.85 0.67 5.08 2.01 -1.26 -4.71 115.64 118.07 1rt4 s THR 216 Ca 0.55 -1.36 -0.14 0.00 0.31 0.00 0.00 61.69 61.05 1rt4 s THR 216 Cb -0.37 -1.03 0.01 0.00 0.01 0.00 0.00 72.50 71.12 1rt4 s THR 216 CO 0.42 -0.41 1.11 -2.16 -0.69 0.00 0.00 174.62 172.88 1rt4 s PRO 217 N -2.10 2.73 0.73 4.92 0.04 -1.26 -5.06 135.00 135.00 1rt4 s PRO 217 Ca -0.02 1.35 -0.07 0.00 0.04 0.00 0.00 61.00 62.31 1rt4 s PRO 217 Cb -0.07 -1.94 0.08 0.00 0.04 0.00 0.00 34.50 32.61 1rt4 s PRO 217 CO 0.01 -1.30 1.04 0.16 0.04 0.00 0.00 177.00 176.94 1rt4 s ASP 218 N -2.71 4.59 0.29 6.66 -4.77 -1.26 -4.84 116.67 114.63 1rt4 s ASP 218 Ca 0.66 0.32 0.03 0.00 -3.30 0.00 0.00 52.55 50.26 1rt4 s ASP 218 Cb -0.20 -0.88 0.69 0.00 -1.09 0.00 0.00 42.92 41.45 1rt4 s ASP 218 CO 0.44 -1.74 1.71 0.50 0.70 0.00 0.00 175.17 176.78 1rt4 h LYS 219 N -0.68 0.43 0.00 2.11 1.63 -1.97 0.22 116.57 118.32 1rt4 h LYS 219 Ca -0.43 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 1rt4 h LYS 219 Cb 1.30 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 1rt4 h LYS 219 CO 0.55 0.29 0.00 -0.22 -3.45 0.00 0.00 179.45 176.62 1rt4 h LYS 220 N 0.44 0.00 -0.05 1.90 3.64 -2.04 -2.78 116.57 117.68 1rt4 h LYS 220 Ca 0.54 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.79 1rt4 h LYS 220 Cb 0.99 0.00 -0.25 0.00 -0.41 0.00 0.00 32.23 32.56 1rt4 h LYS 220 CO -0.50 0.00 -0.84 0.72 -2.27 0.00 0.00 179.45 176.57 1rt4 n HIS 221 N -2.59 0.16 -4.26 1.91 8.25 0.74 -5.07 115.22 114.37 1rt4 n HIS 221 Ca -0.02 -1.02 -0.34 0.00 -0.26 0.00 0.00 57.72 56.08 1rt4 n HIS 221 Cb 0.05 -0.20 -0.09 0.00 1.12 0.00 0.00 29.99 30.88 1rt4 n HIS 221 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1rt4 s GLN 222 N -1.53 3.00 0.62 -0.41 -0.21 -1.02 -4.73 119.66 115.37 1rt4 s GLN 222 Ca 0.36 -0.44 -0.11 0.00 0.02 0.00 0.00 55.36 55.18 1rt4 s GLN 222 Cb 0.38 -2.81 -0.04 0.00 1.00 0.00 0.00 33.01 31.54 1rt4 s GLN 222 CO -0.12 0.68 1.03 0.15 -2.12 0.00 0.00 175.29 174.91 1rt4 s LYS 223 N -1.20 3.57 0.22 2.91 1.02 -1.26 -5.03 119.74 119.97 1rt4 s LYS 223 Ca 0.17 0.78 -0.06 0.00 0.02 0.00 0.00 55.97 56.88 1rt4 s LYS 223 Cb -0.12 -2.08 -0.02 0.00 -0.52 0.00 0.00 37.83 35.09 1rt4 s LYS 223 CO 0.06 -0.59 0.27 -1.21 -0.92 0.00 0.00 175.35 172.96 1rt4 s GLU 224 N -5.09 1.34 0.86 1.68 2.02 -1.26 -3.75 118.70 114.50 1rt4 s GLU 224 Ca 0.56 -1.46 -0.12 0.00 0.02 0.00 0.00 54.97 53.97 1rt4 s GLU 224 Cb -0.11 0.35 0.12 0.00 0.10 0.00 0.00 34.13 34.59 1rt4 s GLU 224 CO 0.52 -0.49 1.18 -2.14 0.02 0.00 0.00 175.26 174.35 1rt4 s PRO 225 N -4.10 1.29 0.73 0.39 0.02 -1.26 -4.63 135.00 127.44 1rt4 s PRO 225 Ca 0.31 1.66 -0.13 0.00 0.02 0.00 0.00 61.00 62.86 1rt4 s PRO 225 Cb 0.04 -1.75 0.04 0.00 0.02 0.00 0.00 34.50 32.85 1rt4 s PRO 225 CO 0.10 -2.45 1.13 -2.14 -0.33 0.00 0.00 177.00 173.31 1rt4 s PRO 226 N -4.40 2.34 -0.14 5.54 0.02 -1.26 -5.11 135.00 131.99 1rt4 s PRO 226 Ca 0.70 1.43 0.01 0.00 0.02 0.00 0.00 61.00 63.16 1rt4 s PRO 226 Cb -0.26 -1.89 -0.01 0.00 0.02 0.00 0.00 34.50 32.37 1rt4 s PRO 226 CO 0.54 -1.62 -0.16 -0.06 -0.33 0.00 0.00 177.00 175.38 1rt4 s PHE 227 N -2.44 2.75 -0.53 6.54 0.08 0.22 -4.91 117.98 119.70 1rt4 s PHE 227 Ca 0.67 -0.91 -0.26 0.00 0.12 0.00 0.00 56.93 56.56 1rt4 s PHE 227 Cb -0.22 -1.84 0.03 0.00 -0.57 0.00 0.00 43.02 40.42 1rt4 s PHE 227 CO 0.48 -0.38 1.00 -1.17 -0.10 0.00 0.00 175.22 175.04 1rt4 s LEU 228 N 0.58 3.92 -0.47 -0.37 1.98 -1.26 0.61 118.68 123.67 1rt4 s LEU 228 Ca -0.10 -0.07 0.02 0.00 -2.89 0.00 0.00 54.13 51.09 1rt4 s LEU 228 Cb -0.16 -3.05 0.12 0.00 0.66 0.00 0.00 46.19 43.77 1rt4 s LEU 228 CO 0.03 -1.23 0.22 0.86 -1.89 0.00 0.00 176.35 174.35 1rt4 s TRP 229 N 4.12 3.45 -0.56 5.38 -0.11 0.25 -4.90 118.94 126.57 1rt4 s TRP 229 Ca 0.36 -2.97 -0.00 0.00 1.22 0.00 0.00 56.10 54.71 1rt4 s TRP 229 Cb -0.10 -2.96 0.00 0.00 -1.50 0.00 0.00 33.47 28.91 1rt4 s TRP 229 CO 0.23 -0.85 0.41 -1.33 -4.62 0.00 0.00 176.95 170.79 1rt4 n MET 230 N 3.69 -1.05 0.00 5.86 2.81 -1.26 -1.49 117.12 125.68 1rt4 n MET 230 Ca 0.04 0.50 0.00 0.00 -1.81 0.00 0.00 57.70 56.44 1rt4 n MET 230 Cb 0.37 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 1rt4 n MET 230 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rt4 n GLY 231 N -1.27 3.10 3.94 3.03 0.00 -1.26 -5.04 105.19 107.70 1rt4 n GLY 231 Ca -0.22 -0.90 -0.24 0.00 0.00 0.00 0.00 46.02 44.66 1rt4 n GLY 231 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1rt4 s TYR 232 N -0.78 3.38 -0.33 1.61 1.51 -0.56 -3.84 117.35 118.35 1rt4 s TYR 232 Ca 0.00 0.33 0.04 0.00 -1.01 0.00 0.00 57.07 56.43 1rt4 s TYR 232 Cb 0.00 -2.11 0.10 0.00 -0.11 0.00 0.00 41.96 39.84 1rt4 s TYR 232 CO 0.00 -0.12 0.04 -2.00 -1.11 0.00 0.00 175.55 172.36 1rt4 s GLU 233 N -4.45 1.54 -0.11 -0.62 2.12 0.28 -0.58 118.70 116.87 1rt4 s GLU 233 Ca 0.44 -1.82 -0.30 0.00 0.36 0.00 0.00 54.97 53.65 1rt4 s GLU 233 Cb -0.10 -3.17 -0.01 0.00 0.26 0.00 0.00 34.13 31.11 1rt4 s GLU 233 CO 0.38 -0.91 1.04 -0.51 -0.54 0.00 0.00 175.26 174.72 1rt4 s LEU 234 N 0.93 4.24 0.08 2.70 1.02 0.20 0.62 118.68 128.47 1rt4 s LEU 234 Ca 0.09 1.56 0.09 0.00 0.02 0.00 0.00 54.13 55.89 1rt4 s LEU 234 Cb -0.19 -3.55 -0.03 0.00 0.02 0.00 0.00 46.19 42.43 1rt4 s LEU 234 CO -0.08 -0.49 -0.23 -1.00 0.02 0.00 0.00 176.35 174.56 1rt4 s HIS 235 N 2.18 2.04 0.59 0.29 3.76 0.64 -0.61 115.29 124.18 1rt4 s HIS 235 Ca 0.49 -0.39 0.20 0.00 -0.15 0.00 0.00 55.06 55.21 1rt4 s HIS 235 Cb -0.19 -1.17 1.12 0.00 1.11 0.00 0.00 32.58 33.45 1rt4 s HIS 235 CO 0.17 0.18 1.61 -1.35 -0.85 0.00 0.00 174.74 174.51 1rt4 h PRO 236 N 4.43 0.00 0.00 8.40 0.11 -1.96 -1.91 132.00 141.07 1rt4 h PRO 236 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1rt4 h PRO 236 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1rt4 h PRO 236 CO 0.42 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.81 1rt4 n ASP 237 N -2.68 0.06 -3.54 -2.05 5.75 -1.26 -1.79 116.55 111.04 1rt4 n ASP 237 Ca -0.01 -0.42 -0.13 0.00 -0.01 0.00 0.00 54.79 54.22 1rt4 n ASP 237 Cb 0.53 0.69 -0.05 0.00 -1.03 0.00 0.00 41.12 41.26 1rt4 n ASP 237 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1rt4 s LYS 238 N -0.69 0.82 0.15 0.11 -2.85 -0.72 -4.57 119.74 112.00 1rt4 s LYS 238 Ca 0.00 0.06 0.06 0.00 -1.00 0.00 0.00 55.97 55.09 1rt4 s LYS 238 Cb 0.00 0.39 -0.04 0.00 -2.06 0.00 0.00 37.83 36.12 1rt4 s LYS 238 CO 0.00 -0.29 0.08 1.67 0.10 0.00 0.00 175.35 176.91 1rt4 s TRP 239 N -1.66 3.04 0.03 1.78 1.48 -1.11 -0.26 118.94 122.24 1rt4 s TRP 239 Ca -0.03 -0.05 0.03 0.00 -1.06 0.00 0.00 56.10 54.99 1rt4 s TRP 239 Cb -0.00 -1.48 -0.02 0.00 -1.16 0.00 0.00 33.47 30.81 1rt4 s TRP 239 CO 0.01 0.52 -0.09 0.99 -4.06 0.00 0.00 176.95 174.32 1rt4 s THR 240 N -1.67 0.66 -0.35 0.66 2.01 0.20 -1.56 115.64 115.58 1rt4 s THR 240 Ca 0.29 -0.87 -0.15 0.00 0.31 0.00 0.00 61.69 61.28 1rt4 s THR 240 Cb -0.10 -0.66 -0.01 0.00 0.01 0.00 0.00 72.50 71.74 1rt4 s THR 240 CO 0.21 -0.17 0.33 -0.69 -0.69 0.00 0.00 174.62 173.61 1rt4 s VAL 241 N -0.96 5.20 -0.08 3.82 1.01 0.99 0.10 120.40 130.49 1rt4 s VAL 241 Ca -0.04 -0.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.53 1rt4 s VAL 241 Cb -0.08 -3.82 -0.06 0.00 0.00 0.00 0.00 36.38 32.43 1rt4 s VAL 241 CO 0.01 -0.11 1.80 0.00 0.00 0.00 0.00 175.10 176.80 1rt4 s GLN 242 N 1.92 3.98 -0.13 2.72 -2.07 -1.25 -4.01 119.66 120.82 1rt4 s GLN 242 Ca 0.10 2.20 -0.38 0.00 -1.82 0.00 0.00 55.36 55.45 1rt4 s GLN 242 Cb -0.17 -4.09 -0.16 0.00 -1.09 0.00 0.00 33.01 27.50 1rt4 s GLN 242 CO 0.11 -1.10 1.63 -0.35 -1.32 0.00 0.00 175.29 174.26 1rt4 n PRO 243 N 7.53 1.29 -2.55 9.60 -0.04 -1.26 -4.90 135.00 144.67 1rt4 n PRO 243 Ca 0.20 0.47 -0.41 0.00 -0.04 0.00 0.00 63.50 63.72 1rt4 n PRO 243 Cb 0.43 -2.16 -0.04 0.00 -0.04 0.00 0.00 33.50 31.69 1rt4 n PRO 243 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1rt4 s ILE 244 N 2.55 4.03 -0.18 0.52 1.10 -1.26 -5.04 121.20 122.92 1rt4 s ILE 244 Ca 0.93 1.69 -0.15 0.00 -0.51 0.00 0.00 60.65 62.62 1rt4 s ILE 244 Cb -0.98 -4.08 -0.04 0.00 0.15 0.00 0.00 42.46 37.50 1rt4 s ILE 244 CO 0.57 0.27 0.33 -0.69 -2.11 0.00 0.00 174.94 173.31 1rt4 s VAL 245 N -0.03 5.26 -0.27 4.00 1.01 -1.26 -4.89 120.40 124.22 1rt4 s VAL 245 Ca 0.50 0.60 -0.04 0.00 0.00 0.00 0.00 61.98 63.04 1rt4 s VAL 245 Cb -0.28 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.45 1rt4 s VAL 245 CO 0.33 0.33 0.01 -0.76 0.00 0.00 0.00 175.10 175.01 1rt4 s LEU 246 N 0.87 3.54 0.05 3.92 1.43 -1.26 -5.08 118.68 122.16 1rt4 s LEU 246 Ca 0.17 -0.80 -0.31 0.00 -1.03 0.00 0.00 54.13 52.16 1rt4 s LEU 246 Cb -0.14 -1.77 -0.08 0.00 0.03 0.00 0.00 46.19 44.23 1rt4 s LEU 246 CO 0.06 -0.16 1.68 -2.16 0.23 0.00 0.00 176.35 176.00 1rt4 s PRO 247 N 1.41 4.19 -1.20 1.29 0.04 -1.26 -4.92 135.00 134.55 1rt4 s PRO 247 Ca 0.01 2.35 -0.17 0.00 0.04 0.00 0.00 61.00 63.22 1rt4 s PRO 247 Cb -0.17 -3.68 0.11 0.00 0.04 0.00 0.00 34.50 30.79 1rt4 s PRO 247 CO -0.01 -0.77 1.55 -2.00 0.04 0.00 0.00 177.00 175.82 1rt4 s GLU 248 N 2.93 3.94 0.63 4.56 2.56 -1.26 -4.99 118.70 127.07 1rt4 s GLU 248 Ca 0.75 -2.07 -0.10 0.00 0.00 0.00 0.00 54.97 53.56 1rt4 s GLU 248 Cb -0.39 -5.31 -0.01 0.00 2.00 0.00 0.00 34.13 30.41 1rt4 s GLU 248 CO 0.33 -2.05 1.00 0.15 -0.56 0.00 0.00 175.26 174.13 1rt4 s LYS 249 N 3.32 3.22 -0.09 4.30 1.02 -1.26 -5.00 119.74 125.24 1rt4 s LYS 249 Ca 0.48 0.45 0.16 0.00 0.02 0.00 0.00 55.97 57.08 1rt4 s LYS 249 Cb 0.01 -2.13 -0.24 0.00 -0.52 0.00 0.00 37.83 34.94 1rt4 s LYS 249 CO 0.02 -0.71 0.23 -0.40 -0.92 0.00 0.00 175.35 173.57 1rt4 n ASP 250 N -2.75 0.89 -3.96 2.83 5.68 -1.26 -4.93 116.55 113.05 1rt4 n ASP 250 Ca 0.05 0.00 -0.24 0.00 -0.50 0.00 0.00 54.79 54.10 1rt4 n ASP 250 Cb 0.56 1.37 -0.17 0.00 -1.14 0.00 0.00 41.12 41.74 1rt4 n ASP 250 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1rt4 s SER 251 N -4.55 1.67 -0.06 -1.12 0.15 -1.26 -5.03 113.70 103.49 1rt4 s SER 251 Ca -0.07 -0.25 0.04 0.00 0.70 0.00 0.00 55.95 56.37 1rt4 s SER 251 Cb 0.08 -0.73 -0.02 0.00 -1.71 0.00 0.00 66.02 63.64 1rt4 s SER 251 CO 0.72 -0.03 -0.18 0.26 1.20 0.00 0.00 173.24 175.21 1rt4 s TRP 252 N 0.99 2.61 0.33 3.44 0.52 -1.26 -5.06 118.94 120.51 1rt4 s TRP 252 Ca -0.09 -0.38 0.07 0.00 0.02 0.00 0.00 56.10 55.73 1rt4 s TRP 252 Cb -0.15 -1.63 -0.03 0.00 -1.15 0.00 0.00 33.47 30.51 1rt4 s TRP 252 CO -0.00 0.02 0.30 0.95 0.02 0.00 0.00 176.95 178.24 1rt4 s THR 253 N -0.45 3.63 0.11 2.01 -4.23 -1.26 -0.43 115.64 115.01 1rt4 s THR 253 Ca 0.05 -1.35 -0.28 0.00 -1.18 0.00 0.00 61.69 58.94 1rt4 s THR 253 Cb -0.12 -3.21 -0.09 0.00 1.34 0.00 0.00 72.50 70.42 1rt4 s THR 253 CO 0.02 -0.18 1.64 0.58 -0.54 0.00 0.00 174.62 176.13 1rt4 h VAL 254 N 1.24 0.41 -0.48 2.29 2.07 -1.16 -0.65 116.25 119.97 1rt4 h VAL 254 Ca -0.45 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.16 1rt4 h VAL 254 Cb 1.25 0.41 -0.10 0.00 -1.52 0.00 0.00 31.29 31.33 1rt4 h VAL 254 CO 0.58 0.00 -0.31 -1.13 0.02 0.00 0.00 177.57 176.74 1rt4 h ASN 255 N -0.50 -1.04 -0.59 0.57 -0.73 -1.17 0.26 115.58 112.39 1rt4 h ASN 255 Ca 0.02 0.20 0.09 0.00 1.87 0.00 0.00 56.30 58.48 1rt4 h ASN 255 Cb 0.51 0.51 -0.07 0.00 0.27 0.00 0.00 38.32 39.54 1rt4 h ASN 255 CO -0.14 -0.30 0.21 0.44 -0.37 0.00 0.00 177.43 177.27 1rt4 h ASP 256 N -0.20 0.20 -0.52 1.15 3.32 -1.68 -1.48 116.42 117.22 1rt4 h ASP 256 Ca 0.20 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1rt4 h ASP 256 Cb 0.53 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 1rt4 h ASP 256 CO -0.59 0.12 0.34 0.40 -1.72 0.00 0.00 179.24 177.79 1rt4 h ILE 257 N 0.38 1.14 0.03 0.35 1.08 0.53 -1.20 117.51 119.82 1rt4 h ILE 257 Ca 0.30 -0.27 0.01 0.00 -0.39 0.00 0.00 64.86 64.51 1rt4 h ILE 257 Cb 0.36 0.39 -0.01 0.00 -3.07 0.00 0.00 36.82 34.50 1rt4 h ILE 257 CO -0.30 0.14 -0.07 1.56 -0.69 0.00 0.00 178.15 178.79 1rt4 h GLN 258 N 0.70 -0.12 -0.79 2.37 4.20 -0.19 0.20 115.11 121.47 1rt4 h GLN 258 Ca 0.19 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.94 1rt4 h GLN 258 Cb -0.07 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.70 1rt4 h GLN 258 CO -0.04 -0.08 0.52 0.87 -0.67 0.00 0.00 178.83 179.43 1rt4 h LYS 259 N -0.13 0.95 0.43 1.46 1.57 -1.15 0.27 116.57 119.98 1rt4 h LYS 259 Ca 0.02 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1rt4 h LYS 259 Cb 0.15 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1rt4 h LYS 259 CO -0.05 0.63 -0.21 1.25 -0.57 0.00 0.00 179.45 180.50 1rt4 h LEU 260 N 0.98 -0.49 -1.78 2.94 5.85 -0.62 -1.81 115.31 120.38 1rt4 h LEU 260 Ca 0.31 -0.05 0.06 0.00 0.84 0.00 0.00 57.88 59.04 1rt4 h LEU 260 Cb 0.03 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1rt4 h LEU 260 CO -0.09 -0.25 0.26 0.58 -0.34 0.00 0.00 178.44 178.61 1rt4 h VAL 261 N -0.72 0.95 0.31 1.05 2.07 -0.49 0.63 116.25 120.04 1rt4 h VAL 261 Ca -0.06 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1rt4 h VAL 261 Cb 0.51 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1rt4 h VAL 261 CO 0.10 0.05 -0.15 1.23 0.02 0.00 0.00 177.57 178.82 1rt4 h GLY 262 N 0.27 -0.43 1.01 2.17 0.00 -0.59 0.86 103.07 106.36 1rt4 h GLY 262 Ca 0.17 0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.66 1rt4 h GLY 262 CO -0.03 -0.16 0.52 0.50 0.00 0.00 0.00 176.54 177.36 1rt4 h LYS 263 N -0.55 1.14 -0.67 4.80 6.56 -0.46 -2.37 116.57 125.02 1rt4 h LYS 263 Ca -0.04 -0.10 -0.02 0.00 -1.06 0.00 0.00 60.65 59.43 1rt4 h LYS 263 Cb 0.41 -0.24 -0.03 0.00 -0.57 0.00 0.00 32.23 31.79 1rt4 h LYS 263 CO 0.07 0.79 0.34 -0.07 -2.06 0.00 0.00 179.45 178.52 1rt4 h LEU 264 N 1.15 0.86 -1.53 2.94 -0.00 -0.74 -1.50 115.31 116.48 1rt4 h LEU 264 Ca 0.30 -0.12 -0.05 0.00 -0.00 0.00 0.00 57.88 58.01 1rt4 h LEU 264 Cb -0.06 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.37 1rt4 h LEU 264 CO -0.06 0.73 -0.24 -1.13 -0.00 0.00 0.00 178.44 177.74 1rt4 h ASN 265 N 0.92 0.00 -0.10 -0.43 -1.24 -0.40 -1.45 115.58 112.88 1rt4 h ASN 265 Ca 0.23 0.00 -0.16 0.00 0.71 0.00 0.00 56.30 57.08 1rt4 h ASN 265 Cb 0.09 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.14 1rt4 h ASN 265 CO -0.03 0.24 -0.57 -0.25 -1.29 0.00 0.00 177.43 175.53 1rt4 h TRP 266 N 0.00 0.77 -0.86 0.67 7.01 -1.01 -3.28 115.95 119.25 1rt4 h TRP 266 Ca -0.00 -0.35 0.04 0.00 2.11 0.00 0.00 58.89 60.69 1rt4 h TRP 266 Cb 0.47 -0.12 -0.05 0.00 -2.10 0.00 0.00 29.16 27.36 1rt4 h TRP 266 CO 0.00 1.14 0.55 0.00 -2.79 0.00 0.00 178.44 177.34 1rt4 h ALA 267 N 0.48 1.14 -0.35 2.65 0.00 -0.57 -2.82 119.26 119.78 1rt4 h ALA 267 Ca -0.04 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.94 1rt4 h ALA 267 Cb 1.21 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1rt4 h ALA 267 CO 0.12 0.37 0.53 0.66 0.00 0.00 0.00 179.25 180.93 1rt4 h SER 268 N 1.06 0.00 -0.52 0.00 4.64 -1.35 0.23 113.55 117.61 1rt4 h SER 268 Ca 0.35 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.57 1rt4 h SER 268 Cb 0.03 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 1rt4 h SER 268 CO -0.12 0.00 -0.05 1.56 -0.87 0.00 0.00 176.83 177.35 1rt4 h GLN 269 N 0.00 0.95 0.12 4.77 1.08 -1.67 -3.04 115.11 117.32 1rt4 h GLN 269 Ca 0.17 -0.33 -0.36 0.00 -1.45 0.00 0.00 58.65 56.68 1rt4 h GLN 269 Cb 1.23 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 28.57 1rt4 h GLN 269 CO -0.00 0.99 -1.96 -0.89 -0.95 0.00 0.00 178.83 176.02 1rt4 n ILE 270 N -4.24 1.78 -3.57 2.54 5.41 0.03 -2.75 119.36 118.56 1rt4 n ILE 270 Ca 0.01 -0.67 -0.35 0.00 1.00 0.00 0.00 62.75 62.74 1rt4 n ILE 270 Cb 0.36 -1.69 -0.06 0.00 -0.71 0.00 0.00 39.64 37.54 1rt4 n ILE 270 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1rt4 n TYR 271 N -3.45 3.92 -2.05 1.39 4.01 0.59 -4.99 117.16 116.57 1rt4 n TYR 271 Ca -0.30 -4.00 -0.41 0.00 -0.16 0.00 0.00 57.90 53.03 1rt4 n TYR 271 Cb 1.05 -1.05 -0.02 0.00 -0.31 0.00 0.00 39.34 39.01 1rt4 n TYR 271 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 1rt4 s PRO 272 N -1.67 4.30 0.00 -0.72 0.02 -1.15 -2.80 135.00 132.98 1rt4 s PRO 272 Ca 0.29 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.59 1rt4 s PRO 272 Cb -0.03 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.41 1rt4 s PRO 272 CO -0.09 -0.30 0.00 0.41 -0.33 0.00 0.00 177.00 176.68 1rt4 n GLY 273 N 1.30 1.63 3.70 0.52 0.00 -1.26 -5.09 105.19 105.99 1rt4 n GLY 273 Ca 0.03 -0.17 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 1rt4 n GLY 273 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1rt4 n ILE 274 N 0.00 0.72 -4.25 -0.61 2.08 -1.12 -4.99 119.36 111.19 1rt4 n ILE 274 Ca 0.00 -0.18 -0.20 0.00 0.56 0.00 0.00 62.75 62.93 1rt4 n ILE 274 Cb 0.00 -1.67 -0.12 0.00 -0.75 0.00 0.00 39.64 37.10 1rt4 n ILE 274 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 1rt4 s LYS 275 N -0.07 0.94 0.00 0.38 1.02 -1.26 -4.95 119.74 115.81 1rt4 s LYS 275 Ca 0.69 -0.98 0.00 0.00 0.02 0.00 0.00 55.97 55.70 1rt4 s LYS 275 Cb -0.60 -1.03 0.00 0.00 -0.52 0.00 0.00 37.83 35.68 1rt4 s LYS 275 CO 0.46 0.24 0.33 1.33 -0.92 0.00 0.00 175.35 176.78 1rt4 n VAL 276 N 1.34 0.08 -0.11 3.17 0.24 -1.26 -4.92 118.33 116.88 1rt4 n VAL 276 Ca -0.20 -0.13 -0.14 0.00 -2.04 0.00 0.00 64.34 61.83 1rt4 n VAL 276 Cb 0.54 1.38 -0.09 0.00 -1.47 0.00 0.00 33.84 34.20 1rt4 n VAL 276 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1rt4 h ARG 277 N 0.00 -0.42 0.00 7.34 -0.00 -2.02 -1.04 114.38 118.25 1rt4 h ARG 277 Ca 0.00 0.03 -0.05 0.00 -0.50 0.00 0.00 59.98 59.45 1rt4 h ARG 277 Cb 0.65 0.09 -0.01 0.00 0.00 0.00 0.00 29.97 30.71 1rt4 h ARG 277 CO 0.00 -0.28 -0.26 1.96 0.00 0.00 0.00 179.97 181.39 1rt4 h GLN 278 N -0.43 0.00 -1.16 0.04 7.50 -1.92 -2.08 115.11 117.06 1rt4 h GLN 278 Ca 0.07 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.22 1rt4 h GLN 278 Cb 0.61 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.14 1rt4 h GLN 278 CO -0.56 0.26 0.00 -0.11 -1.50 0.00 0.00 178.83 176.92 1rt4 n LEU 279 N -3.80 1.74 0.00 1.46 7.94 -0.39 -3.64 117.00 120.31 1rt4 n LEU 279 Ca -0.01 -0.87 0.00 0.00 -1.11 0.00 0.00 56.01 54.02 1rt4 n LEU 279 Cb 0.36 -0.35 0.00 0.00 0.53 0.00 0.00 43.42 43.96 1rt4 n LEU 279 CO 0.35 0.30 0.00 1.17 -1.11 0.00 0.00 177.39 178.10 1rt4 n LYS 281 N 0.53 0.00 0.04 1.96 4.81 -0.78 -4.42 118.16 120.30 1rt4 n LYS 281 Ca 0.00 0.00 0.10 0.00 -0.87 0.00 0.00 58.31 57.54 1rt4 n LYS 281 Cb 0.30 -0.01 0.41 0.00 0.02 0.00 0.00 35.03 35.75 1rt4 n LYS 281 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1rt4 n LEU 282 N 0.00 0.22 0.14 3.14 7.99 -1.24 -2.99 117.00 124.26 1rt4 n LEU 282 Ca 0.00 0.55 0.12 0.00 -0.01 0.00 0.00 56.01 56.67 1rt4 n LEU 282 Cb 0.00 -0.51 0.21 0.00 -0.11 0.00 0.00 43.42 43.01 1rt4 n LEU 282 CO 0.00 -0.29 0.61 -0.07 -1.51 0.00 0.00 177.39 176.13 1rt4 h LEU 283 N 0.00 0.00 -9.17 2.23 -0.00 -1.93 -3.46 115.31 102.98 1rt4 h LEU 283 Ca 0.00 -0.04 -0.71 0.00 -0.00 0.00 0.00 57.88 57.13 1rt4 h LEU 283 Cb 0.35 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.02 1rt4 h LEU 283 CO 0.00 0.02 0.95 0.54 -0.00 0.00 0.00 178.44 179.95 1rt4 n ARG 284 N -2.59 1.38 -1.20 1.13 1.74 -1.16 -1.45 116.66 114.50 1rt4 n ARG 284 Ca 0.04 0.51 -0.07 0.00 -0.77 0.00 0.00 57.85 57.55 1rt4 n ARG 284 Cb 0.49 -2.22 -0.03 0.00 -1.02 0.00 0.00 32.46 29.67 1rt4 n ARG 284 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rt4 n GLY 285 N 4.25 0.87 3.65 -0.13 0.00 -1.26 -4.95 105.19 107.63 1rt4 n GLY 285 Ca 0.26 -0.37 -0.48 0.00 0.00 0.00 0.00 46.02 45.43 1rt4 n GLY 285 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rt4 n THR 286 N -2.64 0.54 0.10 2.61 -2.24 -0.53 -4.88 114.28 107.25 1rt4 n THR 286 Ca -0.07 -0.15 -0.17 0.00 -2.27 0.00 0.00 64.05 61.39 1rt4 n THR 286 Cb 0.31 -1.94 -0.14 0.00 -2.10 0.00 0.00 70.33 66.46 1rt4 n THR 286 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1rt4 h LYS 287 N 10.10 0.29 -4.09 -0.78 2.10 -1.92 -3.47 116.57 118.80 1rt4 h LYS 287 Ca -0.46 -0.49 -0.14 0.00 -2.00 0.00 0.00 60.65 57.56 1rt4 h LYS 287 Cb 1.27 0.18 -0.18 0.00 -0.90 0.00 0.00 32.23 32.61 1rt4 h LYS 287 CO 0.96 1.23 -0.68 0.00 -2.00 0.00 0.00 179.45 178.96 1rt4 s ALA 288 N -2.65 0.29 0.35 0.07 0.00 -1.26 -5.04 121.76 113.51 1rt4 s ALA 288 Ca -0.05 -0.88 0.15 0.00 0.00 0.00 0.00 51.96 51.19 1rt4 s ALA 288 Cb 0.07 0.21 0.80 0.00 0.00 0.00 0.00 23.12 24.21 1rt4 s ALA 288 CO 0.89 -0.27 1.84 1.25 0.00 0.00 0.00 175.76 179.47 1rt4 h LEU 289 N 3.87 0.00 -2.75 0.00 5.85 -1.98 -2.92 115.31 117.38 1rt4 h LEU 289 Ca -0.33 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1rt4 h LEU 289 Cb 1.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1rt4 h LEU 289 CO 0.53 0.34 0.00 0.35 -0.34 0.00 0.00 178.44 179.33 1rt4 n THR 290 N -3.95 1.09 -2.55 1.05 -2.24 -1.26 -0.61 114.28 105.81 1rt4 n THR 290 Ca -0.02 -1.00 -0.37 0.00 -2.27 0.00 0.00 64.05 60.39 1rt4 n THR 290 Cb 0.40 0.44 -0.04 0.00 -2.10 0.00 0.00 70.33 69.03 1rt4 n THR 290 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1rt4 s GLU 291 N -1.13 4.28 0.01 -0.78 -1.05 -1.10 -4.77 118.70 114.16 1rt4 s GLU 291 Ca 0.49 1.54 -0.21 0.00 -0.15 0.00 0.00 54.97 56.64 1rt4 s GLU 291 Cb 0.26 -2.67 -0.05 0.00 -0.44 0.00 0.00 34.13 31.23 1rt4 s GLU 291 CO 0.32 -0.04 0.63 0.14 0.95 0.00 0.00 175.26 177.26 1rt4 s VAL 292 N -1.57 4.86 -0.12 1.83 -7.23 -1.26 -1.52 120.40 115.39 1rt4 s VAL 292 Ca 0.55 1.33 -0.00 0.00 -1.81 0.00 0.00 61.98 62.05 1rt4 s VAL 292 Cb -0.23 -3.97 -0.02 0.00 0.56 0.00 0.00 36.38 32.72 1rt4 s VAL 292 CO 0.29 0.41 -0.11 -0.63 -0.31 0.00 0.00 175.10 174.75 1rt4 s ILE 293 N -0.19 3.22 -0.33 -0.62 1.09 0.43 -4.98 121.20 119.82 1rt4 s ILE 293 Ca 0.33 -0.61 -0.29 0.00 -1.10 0.00 0.00 60.65 58.98 1rt4 s ILE 293 Cb -0.19 -2.35 -0.01 0.00 -1.06 0.00 0.00 42.46 38.85 1rt4 s ILE 293 CO 0.19 0.53 1.54 -2.16 -0.10 0.00 0.00 174.94 174.93 1rt4 s PRO 294 N 0.16 3.62 -0.29 2.79 0.04 -1.26 -4.43 135.00 135.63 1rt4 s PRO 294 Ca -0.06 1.26 -0.28 0.00 0.04 0.00 0.00 61.00 61.96 1rt4 s PRO 294 Cb -0.15 -4.05 -0.03 0.00 0.04 0.00 0.00 34.50 30.31 1rt4 s PRO 294 CO 0.04 -1.51 2.02 -1.17 0.04 0.00 0.00 177.00 176.43 1rt4 s LEU 295 N 5.58 3.46 0.45 -3.56 0.20 -1.26 -4.94 118.68 118.60 1rt4 s LEU 295 Ca 0.67 1.55 -0.25 0.00 0.69 0.00 0.00 54.13 56.79 1rt4 s LEU 295 Cb -0.19 -3.46 -0.08 0.00 -0.43 0.00 0.00 46.19 42.03 1rt4 s LEU 295 CO 0.31 -1.89 1.44 0.28 -0.29 0.00 0.00 176.35 176.20 1rt4 s THR 296 N 7.81 2.04 0.41 3.68 -1.32 -1.26 -4.76 115.64 122.25 1rt4 s THR 296 Ca 0.90 0.04 0.16 0.00 -1.21 0.00 0.00 61.69 61.58 1rt4 s THR 296 Cb -0.27 -3.02 0.37 0.00 -1.51 0.00 0.00 72.50 68.06 1rt4 s THR 296 CO 0.34 0.01 1.87 -0.08 -2.21 0.00 0.00 174.62 174.55 1rt4 h GLU 297 N 2.34 0.43 -0.76 7.08 4.81 -1.99 0.48 114.58 126.97 1rt4 h GLU 297 Ca -0.51 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1rt4 h GLU 297 Cb 1.27 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.51 1rt4 h GLU 297 CO 0.61 0.28 0.48 0.93 -0.73 0.00 0.00 179.01 180.59 1rt4 h GLU 298 N 0.44 1.01 -0.04 1.92 3.07 -1.98 -0.82 114.58 118.19 1rt4 h GLU 298 Ca 0.44 -0.07 -0.16 0.00 -0.50 0.00 0.00 59.36 59.07 1rt4 h GLU 298 Cb 1.04 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.72 1rt4 h GLU 298 CO -0.17 0.69 -0.70 0.00 -1.40 0.00 0.00 179.01 177.43 1rt4 h ALA 299 N 1.49 0.74 -0.20 3.43 0.00 -0.38 -2.39 119.26 121.96 1rt4 h ALA 299 Ca 0.28 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1rt4 h ALA 299 Cb -0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1rt4 h ALA 299 CO -0.06 0.80 0.06 0.93 0.00 0.00 0.00 179.25 180.99 1rt4 h GLU 300 N 0.14 0.30 -0.84 0.00 4.39 -0.10 0.91 114.58 119.38 1rt4 h GLU 300 Ca -0.02 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 1rt4 h GLU 300 Cb 1.25 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.81 1rt4 h GLU 300 CO 0.11 0.40 0.48 1.25 -1.16 0.00 0.00 179.01 180.09 1rt4 h LEU 301 N 0.14 1.04 0.21 1.33 5.85 -1.19 -1.24 115.31 121.46 1rt4 h LEU 301 Ca 0.06 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1rt4 h LEU 301 Cb 0.22 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1rt4 h LEU 301 CO -0.00 0.83 -0.10 -0.08 -0.34 0.00 0.00 178.44 178.74 1rt4 h GLU 302 N 1.17 -0.28 -0.96 1.25 4.81 -1.22 -1.85 114.58 117.51 1rt4 h GLU 302 Ca 0.30 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.64 1rt4 h GLU 302 Cb 0.00 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.37 1rt4 h GLU 302 CO -0.05 0.06 0.61 1.25 -0.73 0.00 0.00 179.01 180.15 1rt4 h LEU 303 N -0.65 0.91 0.26 1.64 6.46 -0.74 -1.63 115.31 121.57 1rt4 h LEU 303 Ca -0.03 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.74 1rt4 h LEU 303 Cb 0.46 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.23 1rt4 h LEU 303 CO 0.05 0.54 -0.13 0.00 -0.62 0.00 0.00 178.44 178.28 1rt4 h ALA 304 N 1.52 -0.35 -0.75 1.25 0.00 -1.19 -2.69 119.26 117.05 1rt4 h ALA 304 Ca 0.44 -0.15 0.17 0.00 0.00 0.00 0.00 54.91 55.37 1rt4 h ALA 304 Cb 0.35 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1rt4 h ALA 304 CO -0.20 -0.59 0.51 1.49 0.00 0.00 0.00 179.25 180.46 1rt4 h GLU 305 N -0.58 0.27 -0.24 0.00 4.81 -0.83 0.51 114.58 118.52 1rt4 h GLU 305 Ca -0.04 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.04 1rt4 h GLU 305 Cb 0.42 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1rt4 h GLU 305 CO 0.06 0.18 -0.43 -0.91 -0.73 0.00 0.00 179.01 177.18 1rt4 h ASN 306 N 0.28 0.64 -0.39 1.04 2.35 -1.12 -2.79 115.58 115.59 1rt4 h ASN 306 Ca 0.37 -0.29 -0.06 0.00 -0.55 0.00 0.00 56.30 55.76 1rt4 h ASN 306 Cb 1.03 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 39.20 1rt4 h ASN 306 CO -0.09 0.98 0.04 0.03 -1.65 0.00 0.00 177.43 176.74 1rt4 h ARG 307 N 0.49 0.75 -0.14 0.81 3.08 -0.57 -1.28 114.38 117.51 1rt4 h ARG 307 Ca 0.04 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 1rt4 h ARG 307 Cb 0.94 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 1rt4 h ARG 307 CO 0.08 0.74 0.05 0.93 -1.07 0.00 0.00 179.97 180.70 1rt4 h GLU 308 N 0.71 0.21 -0.04 0.04 5.08 -1.37 -2.30 114.58 116.90 1rt4 h GLU 308 Ca 0.15 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1rt4 h GLU 308 Cb 0.38 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1rt4 h GLU 308 CO 0.01 0.32 -0.14 0.82 -1.00 0.00 0.00 179.01 179.03 1rt4 h ILE 309 N 0.05 0.65 0.00 3.13 1.08 -1.25 -1.85 117.51 119.32 1rt4 h ILE 309 Ca 0.04 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.51 1rt4 h ILE 309 Cb 0.20 0.65 0.00 0.00 -3.07 0.00 0.00 36.82 34.59 1rt4 h ILE 309 CO -0.00 0.00 0.00 0.18 -0.69 0.00 0.00 178.15 177.64 1rt4 n LEU 310 N -5.27 0.00 0.01 1.44 4.77 -0.51 -2.53 117.00 114.91 1rt4 n LEU 310 Ca -0.04 0.07 -0.18 0.00 -0.03 0.00 0.00 56.01 55.83 1rt4 n LEU 310 Cb 0.19 -0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.11 1rt4 n LEU 310 CO 0.25 -0.04 0.23 0.50 -1.33 0.00 0.00 177.39 177.00 1rt4 h LYS 311 N 0.00 0.53 -6.38 3.23 1.63 -0.74 -3.39 116.57 111.45 1rt4 h LYS 311 Ca 0.00 -0.54 -0.54 0.00 -0.85 0.00 0.00 60.65 58.72 1rt4 h LYS 311 Cb 0.03 0.14 -0.07 0.00 -0.60 0.00 0.00 32.23 31.74 1rt4 h LYS 311 CO 0.00 1.17 1.08 -1.21 -3.45 0.00 0.00 179.45 177.03 1rt4 s GLU 312 N -3.35 3.23 0.73 1.90 2.02 -1.05 -4.99 118.70 117.19 1rt4 s GLU 312 Ca -0.12 0.08 -0.15 0.00 0.02 0.00 0.00 54.97 54.80 1rt4 s GLU 312 Cb 0.05 -4.15 0.04 0.00 0.10 0.00 0.00 34.13 30.17 1rt4 s GLU 312 CO 0.86 -2.06 1.19 -1.25 0.02 0.00 0.00 175.26 174.02 1rt4 s PRO 313 N 5.64 2.16 -0.02 0.39 0.04 -1.26 -5.03 135.00 136.92 1rt4 s PRO 313 Ca 0.43 1.70 0.06 0.00 0.04 0.00 0.00 61.00 63.23 1rt4 s PRO 313 Cb -0.09 -1.84 -0.01 0.00 0.04 0.00 0.00 34.50 32.60 1rt4 s PRO 313 CO 0.20 -1.80 -0.19 0.08 0.04 0.00 0.00 177.00 175.32 1rt4 s VAL 314 N -2.07 1.54 0.01 -0.36 1.01 -1.26 -5.02 120.40 114.26 1rt4 s VAL 314 Ca 0.73 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.90 1rt4 s VAL 314 Cb -0.28 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 1rt4 s VAL 314 CO 0.45 0.44 -0.05 -1.38 0.00 0.00 0.00 175.10 174.57 1rt4 s HIS 315 N -0.33 0.40 0.00 5.22 -3.43 -1.26 -0.00 115.29 115.88 1rt4 s HIS 315 Ca 0.04 -0.24 0.00 0.00 -0.80 0.00 0.00 55.06 54.07 1rt4 s HIS 315 Cb -0.09 -0.25 0.00 0.00 -1.43 0.00 0.00 32.58 30.81 1rt4 s HIS 315 CO 0.00 -0.05 0.00 0.41 -2.00 0.00 0.00 174.74 173.10 1rt4 n GLY 316 N 2.41 4.98 3.80 -1.38 0.00 -0.60 -4.90 105.19 109.50 1rt4 n GLY 316 Ca -0.17 -1.90 -0.23 0.00 0.00 0.00 0.00 46.02 43.72 1rt4 n GLY 316 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rt4 s VAL 317 N -0.92 2.40 0.41 1.61 -7.23 -0.89 -2.77 120.40 113.02 1rt4 s VAL 317 Ca 0.00 -1.55 0.07 0.00 -1.81 0.00 0.00 61.98 58.69 1rt4 s VAL 317 Cb 0.00 -2.95 0.01 0.00 0.56 0.00 0.00 36.38 34.00 1rt4 s VAL 317 CO 0.00 0.00 0.57 -0.31 -0.31 0.00 0.00 175.10 175.05 1rt4 s TYR 318 N -2.56 2.88 0.11 2.82 2.02 -1.26 -4.57 117.35 116.78 1rt4 s TYR 318 Ca 0.43 -0.33 -0.31 0.00 -0.37 0.00 0.00 57.07 56.49 1rt4 s TYR 318 Cb 0.01 -2.33 -0.07 0.00 -0.40 0.00 0.00 41.96 39.16 1rt4 s TYR 318 CO 0.24 -0.37 1.29 -0.47 -1.57 0.00 0.00 175.55 174.67 1rt4 s TYR 319 N -2.35 3.33 -0.41 2.71 5.04 0.13 -4.88 117.35 120.92 1rt4 s TYR 319 Ca 0.53 1.15 -0.06 0.00 -2.44 0.00 0.00 57.07 56.26 1rt4 s TYR 319 Cb -0.10 -3.55 0.10 0.00 0.35 0.00 0.00 41.96 38.75 1rt4 s TYR 319 CO 0.33 -1.82 0.22 0.34 -1.34 0.00 0.00 175.55 173.29 1rt4 s ASP 320 N 0.92 5.41 0.50 4.32 -1.08 -1.26 -4.41 116.67 121.08 1rt4 s ASP 320 Ca 0.61 -1.77 0.26 0.00 -0.52 0.00 0.00 52.55 51.12 1rt4 s ASP 320 Cb -0.34 -1.90 1.35 0.00 -1.46 0.00 0.00 42.92 40.58 1rt4 s ASP 320 CO 0.31 -0.54 1.90 -0.65 0.52 0.00 0.00 175.17 176.72 1rt4 h PRO 321 N 8.22 0.11 -0.02 4.34 0.11 -1.97 -0.52 132.00 142.28 1rt4 h PRO 321 Ca -0.18 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1rt4 h PRO 321 Cb 1.06 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1rt4 h PRO 321 CO 0.73 0.07 0.00 -1.13 -0.21 0.00 0.00 178.00 177.46 1rt4 n SER 322 N -4.36 0.19 -4.45 -2.05 3.41 -1.26 -4.82 113.62 100.28 1rt4 n SER 322 Ca 0.17 -1.51 -0.27 0.00 -0.26 0.00 0.00 58.87 57.00 1rt4 n SER 322 Cb 0.81 -0.01 -0.11 0.00 -0.26 0.00 0.00 64.21 64.63 1rt4 n SER 322 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1rt4 s LYS 323 N -1.97 1.63 0.74 4.33 1.02 -0.20 -5.13 119.74 120.15 1rt4 s LYS 323 Ca 0.26 -1.46 -0.11 0.00 0.02 0.00 0.00 55.97 54.68 1rt4 s LYS 323 Cb 0.12 -1.92 0.03 0.00 -0.52 0.00 0.00 37.83 35.55 1rt4 s LYS 323 CO 0.20 0.41 1.07 0.16 -0.92 0.00 0.00 175.35 176.28 1rt4 s ASP 324 N -2.66 4.99 -0.13 2.83 1.47 -1.26 -4.90 116.67 117.01 1rt4 s ASP 324 Ca 0.21 1.54 -0.04 0.00 1.18 0.00 0.00 52.55 55.44 1rt4 s ASP 324 Cb -0.08 -2.35 -0.03 0.00 -0.34 0.00 0.00 42.92 40.11 1rt4 s ASP 324 CO 0.11 -1.68 0.02 -0.76 0.68 0.00 0.00 175.17 173.54 1rt4 s LEU 325 N -5.66 3.63 -0.09 2.11 1.43 -1.26 -4.49 118.68 114.34 1rt4 s LEU 325 Ca 0.59 0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.80 1rt4 s LEU 325 Cb -0.14 -1.87 0.01 0.00 0.03 0.00 0.00 46.19 44.22 1rt4 s LEU 325 CO 0.55 0.28 -0.14 -0.63 0.23 0.00 0.00 176.35 176.64 1rt4 s ILE 326 N -0.26 1.33 -0.14 -0.59 -1.09 -0.25 -1.55 121.20 118.64 1rt4 s ILE 326 Ca 0.07 -0.56 0.01 0.00 -2.23 0.00 0.00 60.65 57.94 1rt4 s ILE 326 Cb -0.12 -1.22 0.00 0.00 -1.58 0.00 0.00 42.46 39.54 1rt4 s ILE 326 CO 0.02 0.40 -0.18 0.00 -1.23 0.00 0.00 174.94 173.95 1rt4 s ALA 327 N 0.88 2.38 0.00 9.38 0.00 -0.11 -0.91 121.76 133.39 1rt4 s ALA 327 Ca -0.10 -1.05 0.08 0.00 0.00 0.00 0.00 51.96 50.90 1rt4 s ALA 327 Cb -0.15 -1.10 -0.02 0.00 0.00 0.00 0.00 23.12 21.84 1rt4 s ALA 327 CO 0.01 0.01 -0.26 -2.00 0.00 0.00 0.00 175.76 173.52 1rt4 s GLU 328 N 0.75 2.01 0.11 0.00 2.12 -0.88 -0.38 118.70 122.43 1rt4 s GLU 328 Ca -0.07 -0.99 0.08 0.00 0.36 0.00 0.00 54.97 54.35 1rt4 s GLU 328 Cb -0.16 -2.03 -0.04 0.00 0.26 0.00 0.00 34.13 32.16 1rt4 s GLU 328 CO 0.00 0.54 -0.21 0.42 -0.54 0.00 0.00 175.26 175.48 1rt4 s ILE 329 N -0.69 1.73 -0.01 -3.70 1.01 -1.08 -1.92 121.20 116.53 1rt4 s ILE 329 Ca 0.11 -1.58 -0.01 0.00 0.00 0.00 0.00 60.65 59.17 1rt4 s ILE 329 Cb -0.10 -1.59 0.01 0.00 0.01 0.00 0.00 42.46 40.79 1rt4 s ILE 329 CO 0.00 -0.09 0.03 -1.10 0.00 0.00 0.00 174.94 173.78 1rt4 s GLN 330 N -2.00 0.02 -0.35 2.79 1.11 0.16 -4.30 119.66 117.09 1rt4 s GLN 330 Ca 0.07 0.05 -0.17 0.00 0.01 0.00 0.00 55.36 55.33 1rt4 s GLN 330 Cb -0.10 -0.01 -0.00 0.00 -1.01 0.00 0.00 33.01 31.89 1rt4 s GLN 330 CO 0.04 -0.02 0.46 0.21 0.01 0.00 0.00 175.29 175.99 1rt4 s LYS 331 N 0.13 3.57 0.14 2.91 2.20 -1.26 0.16 119.74 127.59 1rt4 s LYS 331 Ca -0.01 -0.28 0.13 0.00 -0.36 0.00 0.00 55.97 55.45 1rt4 s LYS 331 Cb -0.02 -3.82 -0.10 0.00 -1.51 0.00 0.00 37.83 32.39 1rt4 s LYS 331 CO -0.00 -0.62 1.15 1.96 -0.36 0.00 0.00 175.35 177.48 1rt4 h GLN 332 N 8.48 0.00 0.00 4.03 4.20 -1.21 -3.43 115.11 127.18 1rt4 h GLN 332 Ca -0.28 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.50 1rt4 h GLN 332 Cb 1.13 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.90 1rt4 h GLN 332 CO 0.75 0.59 0.29 0.41 -0.67 0.00 0.00 178.83 180.21 1rt4 n GLY 333 N 1.34 1.00 3.64 3.46 0.00 -1.19 -5.00 105.19 108.44 1rt4 n GLY 333 Ca -0.04 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 1rt4 n GLY 333 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1rt4 s GLN 334 N -2.03 3.90 -0.56 1.61 0.74 -1.26 -1.96 119.66 120.11 1rt4 s GLN 334 Ca 0.12 2.11 0.00 0.00 0.05 0.00 0.00 55.36 57.64 1rt4 s GLN 334 Cb -0.02 -4.10 0.00 0.00 1.10 0.00 0.00 33.01 29.99 1rt4 s GLN 334 CO 0.03 -1.19 0.00 0.41 -0.55 0.00 0.00 175.29 173.99 1rt4 n GLY 335 N 4.63 0.72 2.88 2.59 0.00 -1.26 -4.87 105.19 109.88 1rt4 n GLY 335 Ca 0.20 -0.80 -0.24 0.00 0.00 0.00 0.00 46.02 45.18 1rt4 n GLY 335 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rt4 s GLN 336 N -2.65 1.15 -0.02 1.61 -0.21 -0.83 0.14 119.66 118.85 1rt4 s GLN 336 Ca 0.00 -0.14 0.03 0.00 0.02 0.00 0.00 55.36 55.26 1rt4 s GLN 336 Cb 0.00 -1.23 -0.00 0.00 1.00 0.00 0.00 33.01 32.78 1rt4 s GLN 336 CO 0.00 -0.20 -0.09 -1.58 -2.12 0.00 0.00 175.29 171.30 1rt4 s TRP 337 N 1.47 0.89 -0.05 0.91 0.52 -0.97 -0.59 118.94 121.11 1rt4 s TRP 337 Ca -0.01 -0.20 0.04 0.00 0.02 0.00 0.00 56.10 55.95 1rt4 s TRP 337 Cb -0.13 -0.61 -0.02 0.00 -1.15 0.00 0.00 33.47 31.55 1rt4 s TRP 337 CO -0.04 -0.06 -0.17 0.95 0.02 0.00 0.00 176.95 177.66 1rt4 s THR 338 N -0.01 2.82 0.04 2.01 -4.23 0.12 -1.40 115.64 114.99 1rt4 s THR 338 Ca 0.00 -0.80 0.01 0.00 -1.18 0.00 0.00 61.69 59.72 1rt4 s THR 338 Cb -0.06 -2.09 -0.02 0.00 1.34 0.00 0.00 72.50 71.66 1rt4 s THR 338 CO 0.00 0.58 -0.06 -0.72 -0.54 0.00 0.00 174.62 173.88 1rt4 s TYR 339 N -0.56 0.54 -0.04 3.99 -0.85 -0.21 0.40 117.35 120.61 1rt4 s TYR 339 Ca 0.08 -0.51 -0.02 0.00 -0.52 0.00 0.00 57.07 56.10 1rt4 s TYR 339 Cb -0.11 -0.34 0.03 0.00 0.38 0.00 0.00 41.96 41.93 1rt4 s TYR 339 CO 0.01 -0.12 0.09 1.14 -1.52 0.00 0.00 175.55 175.15 1rt4 s GLN 340 N -1.56 0.03 -0.18 -3.49 0.00 -0.81 -0.76 119.66 112.90 1rt4 s GLN 340 Ca -0.12 0.28 -0.06 0.00 -0.00 0.00 0.00 55.36 55.47 1rt4 s GLN 340 Cb -0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 33.01 32.67 1rt4 s GLN 340 CO -0.00 -0.16 0.02 0.42 0.00 0.00 0.00 175.29 175.57 1rt4 s ILE 341 N 1.10 4.35 0.17 3.63 1.01 0.57 -2.08 121.20 129.95 1rt4 s ILE 341 Ca -0.09 -0.19 -0.07 0.00 0.00 0.00 0.00 60.65 60.30 1rt4 s ILE 341 Cb -0.12 -2.95 -0.02 0.00 0.01 0.00 0.00 42.46 39.38 1rt4 s ILE 341 CO -0.04 0.46 0.26 -0.72 0.00 0.00 0.00 174.94 174.89 1rt4 s TYR 342 N 0.54 0.52 -0.13 3.97 -0.85 -0.09 -1.28 117.35 120.03 1rt4 s TYR 342 Ca 0.01 -0.88 0.01 0.00 -0.52 0.00 0.00 57.07 55.69 1rt4 s TYR 342 Cb -0.13 -0.14 -0.09 0.00 0.38 0.00 0.00 41.96 41.98 1rt4 s TYR 342 CO 0.02 -0.71 -0.12 1.04 -1.52 0.00 0.00 175.55 174.26 1rt4 n GLN 343 N -0.22 0.33 -4.59 -3.49 6.02 -1.26 -1.08 117.38 113.09 1rt4 n GLN 343 Ca -0.06 0.08 -0.33 0.00 -0.01 0.00 0.00 57.00 56.68 1rt4 n GLN 343 Cb 0.63 -1.25 -0.16 0.00 1.02 0.00 0.00 30.24 30.48 1rt4 n GLN 343 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1rt4 s GLU 344 N -2.26 3.09 0.05 -1.09 2.02 -1.26 -4.86 118.70 114.39 1rt4 s GLU 344 Ca -0.18 -0.81 -0.33 0.00 0.02 0.00 0.00 54.97 53.67 1rt4 s GLU 344 Cb 0.05 -2.51 -0.17 0.00 0.10 0.00 0.00 34.13 31.59 1rt4 s GLU 344 CO 0.30 -0.01 0.83 -0.35 0.02 0.00 0.00 175.26 176.05 1rt4 n PRO 345 N 4.09 0.00 0.00 0.39 -0.04 -1.26 -0.91 135.00 137.27 1rt4 n PRO 345 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 1rt4 n PRO 345 Cb 0.52 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 1rt4 n PRO 345 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1rt4 n PHE 346 N 0.98 0.00 -3.25 0.54 3.01 -1.26 -4.88 117.46 112.60 1rt4 n PHE 346 Ca 0.18 0.00 -0.45 0.00 1.01 0.00 0.00 57.45 58.18 1rt4 n PHE 346 Cb 0.11 -0.39 -0.01 0.00 -0.01 0.00 0.00 39.48 39.19 1rt4 n PHE 346 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1rt4 s LYS 347 N 0.00 3.97 0.42 -1.08 1.02 -0.09 -5.03 119.74 118.95 1rt4 s LYS 347 Ca 0.00 -2.80 -0.24 0.00 0.02 0.00 0.00 55.97 52.95 1rt4 s LYS 347 Cb 0.00 -4.62 -0.08 0.00 -0.52 0.00 0.00 37.83 32.61 1rt4 s LYS 347 CO 0.00 -1.37 1.10 -0.80 -0.92 0.00 0.00 175.35 173.36 1rt4 s ASN 348 N 1.95 6.55 -0.25 2.83 0.01 -1.26 -4.05 114.94 120.71 1rt4 s ASN 348 Ca 0.29 2.17 -0.14 0.00 -0.71 0.00 0.00 52.86 54.47 1rt4 s ASN 348 Cb -0.09 -2.60 -0.11 0.00 0.41 0.00 0.00 41.25 38.87 1rt4 s ASN 348 CO -0.07 -0.65 -0.34 0.18 -1.51 0.00 0.00 177.10 174.71 1rt4 n LEU 349 N -0.16 1.86 -3.73 0.60 4.77 -0.40 -2.09 117.00 117.84 1rt4 n LEU 349 Ca 0.06 0.32 -0.14 0.00 -0.03 0.00 0.00 56.01 56.22 1rt4 n LEU 349 Cb 0.49 -0.77 -0.08 0.00 -2.33 0.00 0.00 43.42 40.72 1rt4 n LEU 349 CO 0.47 0.44 0.08 -0.75 -1.33 0.00 0.00 177.39 176.30 1rt4 s LYS 350 N -2.53 0.72 0.22 3.23 2.20 -1.11 -4.45 119.74 118.02 1rt4 s LYS 350 Ca -0.36 -0.14 0.02 0.00 -0.36 0.00 0.00 55.97 55.13 1rt4 s LYS 350 Cb 0.13 0.32 -0.05 0.00 -1.51 0.00 0.00 37.83 36.73 1rt4 s LYS 350 CO 0.46 -0.21 0.04 0.95 -0.36 0.00 0.00 175.35 176.23 1rt4 s THR 351 N -1.34 0.65 -0.05 3.43 -4.23 -1.26 -0.31 115.64 112.53 1rt4 s THR 351 Ca -0.13 -1.99 -0.30 0.00 -1.18 0.00 0.00 61.69 58.09 1rt4 s THR 351 Cb -0.04 -2.37 0.10 0.00 1.34 0.00 0.00 72.50 71.53 1rt4 s THR 351 CO 0.05 -0.25 1.34 -0.83 -0.54 0.00 0.00 174.62 174.38 1rt4 s GLY 352 N -3.25 -0.22 0.13 3.99 0.00 0.06 -4.69 107.32 103.35 1rt4 s GLY 352 Ca 0.30 0.24 -0.17 0.00 0.00 0.00 0.00 44.72 45.09 1rt4 s GLY 352 CO 0.09 5.08 0.44 -1.59 0.00 0.00 0.00 173.10 177.11 1rt4 s LYS 353 N -2.05 1.11 0.02 2.90 -2.85 -1.26 -1.05 119.74 116.57 1rt4 s LYS 353 Ca 0.28 -0.67 0.02 0.00 -1.00 0.00 0.00 55.97 54.60 1rt4 s LYS 353 Cb 0.01 0.49 -0.01 0.00 -2.06 0.00 0.00 37.83 36.26 1rt4 s LYS 353 CO -0.02 -0.45 -0.06 0.71 0.10 0.00 0.00 175.35 175.63 1rt4 s TYR 354 N -3.80 0.54 -0.19 1.78 2.02 -0.49 -4.98 117.35 112.23 1rt4 s TYR 354 Ca 0.03 -0.27 -0.01 0.00 -0.37 0.00 0.00 57.07 56.45 1rt4 s TYR 354 Cb 0.01 -0.33 0.01 0.00 -0.40 0.00 0.00 41.96 41.25 1rt4 s TYR 354 CO -0.12 -0.04 -0.14 0.00 -1.57 0.00 0.00 175.55 173.67 1rt4 s ALA 355 N -0.69 2.51 -0.43 3.71 0.00 -1.26 -2.30 121.76 123.30 1rt4 s ALA 355 Ca -0.04 -1.17 -0.10 0.00 0.00 0.00 0.00 51.96 50.65 1rt4 s ALA 355 Cb -0.06 -1.35 0.08 0.00 0.00 0.00 0.00 23.12 21.80 1rt4 s ALA 355 CO 0.00 -0.32 0.29 1.03 0.00 0.00 0.00 175.76 176.76 1rt4 s ARG 356 N 1.26 2.63 -0.17 0.00 1.81 0.12 -5.02 118.95 119.58 1rt4 s ARG 356 Ca 0.03 -1.50 -0.29 0.00 -1.72 0.00 0.00 55.73 52.26 1rt4 s ARG 356 Cb -0.14 -3.84 -0.05 0.00 -0.45 0.00 0.00 34.95 30.46 1rt4 s ARG 356 CO -0.08 -1.00 2.09 1.41 -0.68 0.00 0.00 175.30 177.04 1rt4 s MET 357 N 1.44 3.41 0.24 3.54 -2.45 -1.26 -4.75 119.30 119.47 1rt4 s MET 357 Ca 0.04 2.09 0.15 0.00 -1.25 0.00 0.00 55.69 56.71 1rt4 s MET 357 Cb -0.24 -4.29 0.85 0.00 1.25 0.00 0.00 34.83 32.40 1rt4 s MET 357 CO 0.02 -1.78 0.96 2.89 1.05 0.00 0.00 175.02 178.16 1rt4 n ARG 358 N 8.39 -0.03 0.00 4.11 1.85 -1.26 -4.87 116.66 124.85 1rt4 n ARG 358 Ca 0.26 0.81 0.00 0.00 -1.00 0.00 0.00 57.85 57.93 1rt4 n ARG 358 Cb 0.44 -1.51 0.00 0.00 -1.05 0.00 0.00 32.46 30.35 1rt4 n ARG 358 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1rt4 n GLY 359 N -1.21 0.41 0.01 2.89 0.00 -1.26 -4.14 105.19 101.89 1rt4 n GLY 359 Ca 0.24 -0.94 -0.00 0.00 0.00 0.00 0.00 46.02 45.32 1rt4 n GLY 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rt4 h ALA 360 N -0.78 -0.40 -1.32 4.61 0.00 -1.95 -2.62 119.26 116.81 1rt4 h ALA 360 Ca 0.00 -0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.05 1rt4 h ALA 360 Cb 0.00 0.63 -0.23 0.00 0.00 0.00 0.00 17.79 18.19 1rt4 h ALA 360 CO 0.00 -0.41 0.11 -3.38 0.00 0.00 0.00 179.25 175.57 1rt4 s HIS 361 N -3.07 -0.89 0.10 0.00 -3.43 -1.26 -3.15 115.29 103.59 1rt4 s HIS 361 Ca -0.00 1.54 0.01 0.00 -0.80 0.00 0.00 55.06 55.81 1rt4 s HIS 361 Cb 0.00 0.53 -0.00 0.00 -1.43 0.00 0.00 32.58 31.68 1rt4 s HIS 361 CO 0.02 -0.44 0.04 2.41 -2.00 0.00 0.00 174.74 174.77 1rt4 n THR 362 N 5.13 0.00 -3.79 -5.38 -1.04 -0.66 -4.94 114.28 103.59 1rt4 n THR 362 Ca -0.10 -0.60 -0.12 0.00 -2.04 0.00 0.00 64.05 61.19 1rt4 n THR 362 Cb 0.51 0.24 -0.08 0.00 -1.82 0.00 0.00 70.33 69.18 1rt4 n THR 362 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1rt4 s ASN 363 N -1.62 -0.08 0.27 8.00 2.20 -1.26 -0.82 114.94 121.63 1rt4 s ASN 363 Ca 0.06 -0.18 0.00 0.00 -0.94 0.00 0.00 52.86 51.80 1rt4 s ASN 363 Cb 0.00 0.32 0.52 0.00 -2.00 0.00 0.00 41.25 40.09 1rt4 s ASN 363 CO 0.04 -0.55 1.83 0.44 -2.94 0.00 0.00 177.10 175.93 1rt4 h ASP 364 N 3.50 0.86 -0.81 3.54 3.32 -1.92 -1.67 116.42 123.23 1rt4 h ASP 364 Ca -0.31 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 56.75 1rt4 h ASP 364 Cb 1.19 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.59 1rt4 h ASP 364 CO 0.45 0.46 0.35 0.58 -1.72 0.00 0.00 179.24 179.36 1rt4 h VAL 365 N 0.94 1.26 -0.79 -1.35 2.07 -1.96 0.38 116.25 116.80 1rt4 h VAL 365 Ca 0.48 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 1rt4 h VAL 365 Cb 0.48 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 1rt4 h VAL 365 CO -0.27 0.33 0.32 0.50 0.02 0.00 0.00 177.57 178.47 1rt4 h LYS 366 N 1.18 1.18 -0.41 1.57 1.63 -1.79 -0.19 116.57 119.74 1rt4 h LYS 366 Ca 0.28 -0.21 -0.10 0.00 -0.85 0.00 0.00 60.65 59.77 1rt4 h LYS 366 Cb 0.18 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.60 1rt4 h LYS 366 CO -0.03 0.94 -0.12 1.96 -3.45 0.00 0.00 179.45 178.76 1rt4 h GLN 367 N 1.15 0.80 -0.19 1.90 4.20 -0.35 -1.52 115.11 121.10 1rt4 h GLN 367 Ca 0.27 -0.32 0.04 0.00 0.06 0.00 0.00 58.65 58.70 1rt4 h GLN 367 Cb 0.20 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 1rt4 h GLN 367 CO -0.02 0.94 -0.06 1.25 -0.67 0.00 0.00 178.83 180.27 1rt4 h LEU 368 N 0.61 -0.20 -0.72 1.46 6.46 0.14 -0.58 115.31 122.49 1rt4 h LEU 368 Ca 0.10 0.06 0.15 0.00 -0.12 0.00 0.00 57.88 58.07 1rt4 h LEU 368 Cb 0.65 0.13 -0.11 0.00 -0.73 0.00 0.00 40.66 40.61 1rt4 h LEU 368 CO 0.04 -0.07 0.17 0.74 -0.62 0.00 0.00 178.44 178.70 1rt4 h THR 369 N -0.01 0.53 -0.12 1.05 2.02 -0.75 0.55 112.91 116.18 1rt4 h THR 369 Ca 0.10 -0.09 -0.08 0.00 0.77 0.00 0.00 66.41 67.10 1rt4 h THR 369 Cb 0.16 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 1rt4 h THR 369 CO -0.21 0.05 -0.29 -0.33 0.37 0.00 0.00 175.52 175.11 1rt4 h GLU 370 N 0.27 0.23 0.20 6.66 5.08 -0.11 -0.29 114.58 126.61 1rt4 h GLU 370 Ca 0.40 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.67 1rt4 h GLU 370 Cb 0.67 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1rt4 h GLU 370 CO -0.50 0.51 -0.10 0.00 -1.00 0.00 0.00 179.01 177.92 1rt4 h ALA 371 N 1.50 -0.27 -0.72 3.43 0.00 0.40 -0.69 119.26 122.91 1rt4 h ALA 371 Ca 0.03 -0.19 0.16 0.00 0.00 0.00 0.00 54.91 54.91 1rt4 h ALA 371 Cb 0.63 0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.41 1rt4 h ALA 371 CO 0.05 -0.47 0.11 0.28 0.00 0.00 0.00 179.25 179.22 1rt4 h VAL 372 N -0.64 0.47 0.62 0.00 2.07 -0.92 0.62 116.25 118.47 1rt4 h VAL 372 Ca -0.03 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 1rt4 h VAL 372 Cb 0.46 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1rt4 h VAL 372 CO 0.05 0.04 -0.33 -0.61 0.02 0.00 0.00 177.57 176.74 1rt4 h GLN 373 N 0.20 -0.84 -0.45 1.57 5.75 -0.87 -0.52 115.11 119.95 1rt4 h GLN 373 Ca 0.40 0.06 0.08 0.00 -0.15 0.00 0.00 58.65 59.04 1rt4 h GLN 373 Cb 0.69 0.19 -0.07 0.00 1.07 0.00 0.00 27.48 29.37 1rt4 h GLN 373 CO -0.55 -0.56 0.05 0.87 -2.65 0.00 0.00 178.83 175.99 1rt4 h LYS 374 N -0.88 0.17 0.34 1.69 1.57 0.25 -1.85 116.57 117.85 1rt4 h LYS 374 Ca -0.08 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1rt4 h LYS 374 Cb 0.69 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1rt4 h LYS 374 CO 0.12 0.11 -0.27 0.82 -0.57 0.00 0.00 179.45 179.66 1rt4 h ILE 375 N 0.17 0.43 -0.86 1.86 2.04 -0.82 -2.01 117.51 118.32 1rt4 h ILE 375 Ca 0.22 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.30 1rt4 h ILE 375 Cb 0.31 0.43 -0.13 0.00 -0.74 0.00 0.00 36.82 36.69 1rt4 h ILE 375 CO -0.33 0.00 0.28 0.74 0.00 0.00 0.00 178.15 178.85 1rt4 h THR 376 N -0.62 0.41 -0.06 -0.27 2.02 -0.59 0.23 112.91 114.03 1rt4 h THR 376 Ca -0.02 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 1rt4 h THR 376 Cb 0.54 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1rt4 h THR 376 CO -0.02 0.05 0.01 0.74 0.37 0.00 0.00 175.52 176.67 1rt4 h THR 377 N 0.29 1.22 -0.11 3.16 2.02 -0.82 -2.05 112.91 116.62 1rt4 h THR 377 Ca 0.53 -0.66 -0.07 0.00 0.77 0.00 0.00 66.41 66.98 1rt4 h THR 377 Cb 1.03 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.96 1rt4 h THR 377 CO -0.58 0.18 -0.24 1.05 0.37 0.00 0.00 175.52 176.30 1rt4 h GLU 378 N -0.14 0.19 0.55 6.66 4.11 -0.57 -2.43 114.58 122.95 1rt4 h GLU 378 Ca 0.02 -0.06 -0.03 0.00 0.07 0.00 0.00 59.36 59.36 1rt4 h GLU 378 Cb 0.28 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.52 1rt4 h GLU 378 CO 0.00 0.43 -0.26 0.77 0.07 0.00 0.00 179.01 180.02 1rt4 h SER 379 N 0.18 -0.62 -0.78 3.06 0.02 -0.87 -0.64 113.55 113.90 1rt4 h SER 379 Ca 0.03 0.01 0.16 0.00 -0.84 0.00 0.00 61.79 61.15 1rt4 h SER 379 Cb 0.53 0.16 -0.11 0.00 0.14 0.00 0.00 62.40 63.12 1rt4 h SER 379 CO 0.04 -0.42 0.27 0.40 -1.14 0.00 0.00 176.83 175.98 1rt4 h ILE 380 N -0.77 0.56 -0.55 3.27 2.04 -1.09 0.68 117.51 121.65 1rt4 h ILE 380 Ca -0.08 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 1rt4 h ILE 380 Cb 0.58 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1rt4 h ILE 380 CO 0.12 0.07 0.18 0.58 0.00 0.00 0.00 178.15 179.10 1rt4 h VAL 381 N 0.37 1.23 0.05 1.67 2.07 -1.19 0.75 116.25 121.21 1rt4 h VAL 381 Ca 0.45 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 1rt4 h VAL 381 Cb 0.75 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1rt4 h VAL 381 CO -0.47 0.29 -0.03 0.40 0.02 0.00 0.00 177.57 177.79 1rt4 h ILE 382 N 0.76 0.36 -0.01 4.57 2.04 0.71 -3.40 117.51 122.55 1rt4 h ILE 382 Ca 0.18 -1.20 0.00 0.00 1.00 0.00 0.00 64.86 64.84 1rt4 h ILE 382 Cb 0.27 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 1rt4 h ILE 382 CO -0.01 0.12 -0.58 0.79 0.00 0.00 0.00 178.15 178.47 1rt4 n TRP 383 N -4.80 0.00 -0.94 1.37 8.01 0.21 -4.81 117.44 116.49 1rt4 n TRP 383 Ca -0.03 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.16 1rt4 n TRP 383 Cb 0.12 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.42 1rt4 n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1rt4 n GLY 384 N 1.40 0.45 3.24 6.99 0.00 0.26 -4.97 105.19 112.56 1rt4 n GLY 384 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 1rt4 n GLY 384 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rt4 s LYS 385 N -0.57 1.00 -0.09 1.61 -2.85 -1.26 -4.90 119.74 112.68 1rt4 s LYS 385 Ca 0.00 -1.25 -0.05 0.00 -1.00 0.00 0.00 55.97 53.67 1rt4 s LYS 385 Cb 0.00 0.31 -0.04 0.00 -2.06 0.00 0.00 37.83 36.04 1rt4 s LYS 385 CO 0.00 -0.32 0.13 0.95 0.10 0.00 0.00 175.35 176.21 1rt4 s THR 386 N -3.98 5.34 0.73 3.79 -4.23 -1.26 -3.27 115.64 112.77 1rt4 s THR 386 Ca 0.18 0.07 -0.11 0.00 -1.18 0.00 0.00 61.69 60.64 1rt4 s THR 386 Cb 0.05 -3.36 0.03 0.00 1.34 0.00 0.00 72.50 70.57 1rt4 s THR 386 CO -0.01 0.55 1.08 -2.84 -0.54 0.00 0.00 174.62 172.86 1rt4 s PRO 387 N -1.21 2.61 -0.05 3.99 0.02 -1.26 -4.87 135.00 134.23 1rt4 s PRO 387 Ca 0.17 0.79 -0.19 0.00 0.02 0.00 0.00 61.00 61.79 1rt4 s PRO 387 Cb -0.12 -1.97 -0.05 0.00 0.02 0.00 0.00 34.50 32.38 1rt4 s PRO 387 CO 0.07 -1.28 0.53 0.15 -0.33 0.00 0.00 177.00 176.14 1rt4 s LYS 388 N -5.12 4.28 -0.10 5.54 1.02 -0.60 -4.86 119.74 119.91 1rt4 s LYS 388 Ca 0.59 0.59 -0.08 0.00 0.02 0.00 0.00 55.97 57.10 1rt4 s LYS 388 Cb -0.14 -3.36 -0.04 0.00 -0.52 0.00 0.00 37.83 33.77 1rt4 s LYS 388 CO 0.54 0.32 0.17 -0.06 -0.92 0.00 0.00 175.35 175.41 1rt4 s PHE 389 N 0.02 3.61 -0.37 3.18 0.08 -1.04 -0.93 117.98 122.53 1rt4 s PHE 389 Ca 0.28 0.57 -0.03 0.00 0.12 0.00 0.00 56.93 57.88 1rt4 s PHE 389 Cb -0.17 -1.97 0.09 0.00 -0.57 0.00 0.00 43.02 40.40 1rt4 s PHE 389 CO 0.14 0.72 0.13 0.15 -0.10 0.00 0.00 175.22 176.27 1rt4 s LYS 390 N -1.10 2.17 -0.09 0.44 -0.14 0.49 0.45 119.74 121.95 1rt4 s LYS 390 Ca 0.17 -1.60 0.01 0.00 -1.36 0.00 0.00 55.97 53.18 1rt4 s LYS 390 Cb -0.13 -3.45 -0.03 0.00 -1.68 0.00 0.00 37.83 32.55 1rt4 s LYS 390 CO 0.06 -0.90 -0.10 -0.51 -0.76 0.00 0.00 175.35 173.14 1rt4 s LEU 391 N 1.19 2.97 -1.40 3.17 1.43 -0.43 -2.63 118.68 122.98 1rt4 s LEU 391 Ca 0.04 -0.15 -0.10 0.00 -1.03 0.00 0.00 54.13 52.88 1rt4 s LEU 391 Cb -0.21 -1.65 -0.06 0.00 0.03 0.00 0.00 46.19 44.29 1rt4 s LEU 391 CO -0.03 0.28 2.60 -0.81 0.23 0.00 0.00 176.35 178.63 1rt4 n PRO 392 N 2.74 3.10 -3.68 1.29 -0.04 -1.26 -1.99 135.00 135.16 1rt4 n PRO 392 Ca -0.18 -2.09 -0.14 0.00 -0.04 0.00 0.00 63.50 61.05 1rt4 n PRO 392 Cb 0.53 -2.82 -0.08 0.00 -0.04 0.00 0.00 33.50 31.09 1rt4 n PRO 392 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1rt4 s ILE 393 N 2.77 0.01 0.26 0.52 2.07 -1.26 -1.41 121.20 124.15 1rt4 s ILE 393 Ca 0.59 -0.05 -0.24 0.00 -1.41 0.00 0.00 60.65 59.55 1rt4 s ILE 393 Cb 0.15 -0.77 -0.09 0.00 0.13 0.00 0.00 42.46 41.88 1rt4 s ILE 393 CO -0.05 -0.03 0.84 -1.10 -1.91 0.00 0.00 174.94 172.69 1rt4 s GLN 394 N -0.03 4.46 0.41 3.50 -0.21 -1.26 -4.54 119.66 121.99 1rt4 s GLN 394 Ca -0.03 1.13 0.15 0.00 0.02 0.00 0.00 55.36 56.63 1rt4 s GLN 394 Cb -0.04 -2.91 1.01 0.00 1.00 0.00 0.00 33.01 32.07 1rt4 s GLN 394 CO 0.02 0.37 1.89 0.87 -2.12 0.00 0.00 175.29 176.32 1rt4 h LYS 395 N 3.45 0.46 -0.12 2.91 1.79 -2.00 -0.16 116.57 122.91 1rt4 h LYS 395 Ca -0.47 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 57.97 1rt4 h LYS 395 Cb 1.19 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.73 1rt4 h LYS 395 CO 0.65 0.31 0.06 0.93 -1.08 0.00 0.00 179.45 180.32 1rt4 h GLU 396 N 0.48 0.16 0.21 3.15 3.07 -2.00 -1.78 114.58 117.88 1rt4 h GLU 396 Ca 0.42 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 59.25 1rt4 h GLU 396 Cb 0.91 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.79 1rt4 h GLU 396 CO -0.16 0.19 -0.10 1.15 -1.40 0.00 0.00 179.01 178.69 1rt4 h THR 397 N 0.09 0.81 -0.12 1.13 2.02 -1.44 -2.04 112.91 113.36 1rt4 h THR 397 Ca 0.04 -0.09 0.04 0.00 0.77 0.00 0.00 66.41 67.17 1rt4 h THR 397 Cb 0.07 0.87 -0.05 0.00 -1.74 0.00 0.00 68.15 67.30 1rt4 h THR 397 CO -0.01 0.02 -0.22 -0.25 0.37 0.00 0.00 175.52 175.43 1rt4 h TRP 398 N -0.33 -0.59 -0.29 3.16 2.91 -1.36 -1.85 115.95 117.60 1rt4 h TRP 398 Ca -0.03 0.03 0.06 0.00 1.13 0.00 0.00 58.89 60.08 1rt4 h TRP 398 Cb 0.25 0.28 -0.08 0.00 -0.51 0.00 0.00 29.16 29.10 1rt4 h TRP 398 CO -0.05 -0.30 -0.35 0.93 -1.03 0.00 0.00 178.44 177.64 1rt4 h GLU 399 N -0.29 -0.32 -0.64 2.65 4.39 -1.22 -0.73 114.58 118.42 1rt4 h GLU 399 Ca 0.10 0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.90 1rt4 h GLU 399 Cb 0.43 0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 29.09 1rt4 h GLU 399 CO -0.28 -0.21 0.30 1.15 -1.16 0.00 0.00 179.01 178.80 1rt4 h THR 400 N -0.33 0.86 0.40 1.13 2.02 -1.06 -2.42 112.91 113.50 1rt4 h THR 400 Ca 0.13 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 1rt4 h THR 400 Cb 0.55 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1rt4 h THR 400 CO -0.47 0.10 -0.19 -0.25 0.37 0.00 0.00 175.52 175.08 1rt4 h TRP 401 N 0.54 -0.50 -0.63 3.16 7.01 -0.63 -3.33 115.95 121.57 1rt4 h TRP 401 Ca 0.31 -0.01 -0.06 0.00 2.11 0.00 0.00 58.89 61.24 1rt4 h TRP 401 Cb 0.31 0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 27.50 1rt4 h TRP 401 CO -0.12 -0.20 0.15 0.11 -2.79 0.00 0.00 178.44 175.60 1rt4 h TRP 402 N -1.02 1.02 -0.01 2.65 5.08 -1.18 -1.45 115.95 121.03 1rt4 h TRP 402 Ca -0.06 -0.11 0.00 0.00 1.08 0.00 0.00 58.89 59.81 1rt4 h TRP 402 Cb 0.53 -0.29 -0.00 0.00 -3.00 0.00 0.00 29.16 26.39 1rt4 h TRP 402 CO 0.02 0.84 0.01 1.79 -1.28 0.00 0.00 178.44 179.82 1rt4 h THR 403 N 0.94 0.70 0.00 0.12 1.35 -1.58 -2.98 112.91 111.45 1rt4 h THR 403 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.06 1rt4 h THR 403 Cb 0.33 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 1rt4 h THR 403 CO -0.00 0.00 -0.73 -1.84 -0.25 0.00 0.00 175.52 172.70 1rt4 n GLU 404 N -4.10 2.80 -1.76 4.72 -0.00 -1.12 -5.03 120.64 116.15 1rt4 n GLU 404 Ca -0.03 -0.02 -0.38 0.00 -0.00 0.00 0.00 57.16 56.73 1rt4 n GLU 404 Cb 0.10 -1.05 0.06 0.00 -0.00 0.00 0.00 31.44 30.55 1rt4 n GLU 404 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.13 176.66 1rt4 s TYR 405 N -2.16 2.17 0.25 -1.84 5.04 -0.56 -4.92 117.35 115.33 1rt4 s TYR 405 Ca 0.02 1.43 0.14 0.00 -2.44 0.00 0.00 57.07 56.21 1rt4 s TYR 405 Cb 0.07 -3.75 0.52 0.00 0.35 0.00 0.00 41.96 39.15 1rt4 s TYR 405 CO 0.42 -2.94 1.68 0.11 -1.34 0.00 0.00 175.55 173.49 1rt4 h TRP 406 N 0.98 0.00 -3.01 4.97 5.08 -1.90 -3.45 115.95 118.61 1rt4 h TRP 406 Ca -0.51 0.00 -0.61 0.00 1.08 0.00 0.00 58.89 58.86 1rt4 h TRP 406 Cb 1.32 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 27.44 1rt4 h TRP 406 CO 0.43 0.50 -0.37 -1.14 -1.28 0.00 0.00 178.44 176.58 1rt4 s GLN 407 N -3.68 3.58 0.15 0.12 0.74 -1.26 -5.06 119.66 114.24 1rt4 s GLN 407 Ca -0.01 -0.14 -0.31 0.00 0.05 0.00 0.00 55.36 54.95 1rt4 s GLN 407 Cb 0.12 -2.98 -0.08 0.00 1.10 0.00 0.00 33.01 31.17 1rt4 s GLN 407 CO 0.73 0.57 1.32 0.00 -0.55 0.00 0.00 175.29 177.36 1rt4 s ALA 408 N -1.48 3.53 0.13 1.58 0.00 -1.26 -5.00 121.76 119.26 1rt4 s ALA 408 Ca 0.34 1.07 -0.13 0.00 0.00 0.00 0.00 51.96 53.25 1rt4 s ALA 408 Cb -0.13 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.51 1rt4 s ALA 408 CO 0.22 -0.55 0.33 -0.08 0.00 0.00 0.00 175.76 175.68 1rt4 s THR 409 N 0.60 0.09 -0.04 0.00 -1.32 -1.26 -5.18 115.64 108.52 1rt4 s THR 409 Ca 0.60 -0.94 -0.29 0.00 -1.21 0.00 0.00 61.69 59.85 1rt4 s THR 409 Cb -0.36 -1.40 0.10 0.00 -1.51 0.00 0.00 72.50 69.34 1rt4 s THR 409 CO 0.34 -0.39 0.86 0.86 -2.21 0.00 0.00 174.62 174.08 1rt4 s TRP 410 N -3.86 -0.42 -0.08 9.09 -0.00 -1.26 -5.10 118.94 117.31 1rt4 s TRP 410 Ca 0.07 0.50 -0.01 0.00 -0.00 0.00 0.00 56.10 56.66 1rt4 s TRP 410 Cb 0.03 0.49 0.03 0.00 -0.00 0.00 0.00 33.47 34.02 1rt4 s TRP 410 CO -0.08 -0.52 -0.01 0.42 -0.00 0.00 0.00 176.95 176.76 1rt4 s ILE 411 N -2.24 0.47 1.15 5.86 1.01 -1.26 -4.94 121.20 121.25 1rt4 s ILE 411 Ca -0.00 0.06 -0.18 0.00 0.00 0.00 0.00 60.65 60.53 1rt4 s ILE 411 Cb -0.01 -0.61 0.15 0.00 0.01 0.00 0.00 42.46 42.01 1rt4 s ILE 411 CO -0.03 0.27 0.21 -2.65 0.00 0.00 0.00 174.94 172.74 1rt4 n PRO 412 N 5.07 -1.93 -1.68 2.79 -0.02 -1.26 -4.70 135.00 133.27 1rt4 n PRO 412 Ca -0.09 -0.55 -0.64 0.00 -2.02 0.00 0.00 63.50 60.21 1rt4 n PRO 412 Cb 0.50 -1.78 -0.09 0.00 -0.02 0.00 0.00 33.50 32.11 1rt4 n PRO 412 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1rt4 n GLU 413 N -2.72 0.37 -4.26 -0.52 2.13 -1.26 -4.81 120.64 109.56 1rt4 n GLU 413 Ca 0.01 0.13 -0.15 0.00 0.66 0.00 0.00 57.16 57.81 1rt4 n GLU 413 Cb 0.60 -1.70 -0.10 0.00 0.27 0.00 0.00 31.44 30.51 1rt4 n GLU 413 CO 0.00 0.00 0.00 1.67 -0.41 0.00 0.00 177.13 178.39 1rt4 s TRP 414 N 3.60 1.42 -0.07 4.31 1.48 -1.26 -2.49 118.94 125.92 1rt4 s TRP 414 Ca 1.05 -1.40 -0.06 0.00 -1.06 0.00 0.00 56.10 54.63 1rt4 s TRP 414 Cb -1.36 -0.70 0.03 0.00 -1.16 0.00 0.00 33.47 30.27 1rt4 s TRP 414 CO 0.75 -0.61 0.19 -2.00 -4.06 0.00 0.00 176.95 171.22 1rt4 s GLU 415 N -3.94 0.20 0.27 3.25 2.12 0.17 -4.91 118.70 115.85 1rt4 s GLU 415 Ca 0.38 0.32 -0.29 0.00 0.36 0.00 0.00 54.97 55.74 1rt4 s GLU 415 Cb 0.06 0.02 -0.10 0.00 0.26 0.00 0.00 34.13 34.38 1rt4 s GLU 415 CO 0.16 -0.07 1.31 0.12 -0.54 0.00 0.00 175.26 176.24 1rt4 s PHE 416 N 0.46 3.17 -0.13 5.30 5.36 -1.26 -1.31 117.98 129.56 1rt4 s PHE 416 Ca -0.03 1.32 0.00 0.00 -0.96 0.00 0.00 56.93 57.26 1rt4 s PHE 416 Cb -0.04 -3.63 0.02 0.00 -0.34 0.00 0.00 43.02 39.03 1rt4 s PHE 416 CO -0.02 -1.85 -0.11 0.54 -1.46 0.00 0.00 175.22 172.32 1rt4 s VAL 417 N -0.54 1.33 -1.17 3.12 0.11 -0.84 -4.83 120.40 117.58 1rt4 s VAL 417 Ca 0.53 -0.48 -0.18 0.00 -2.93 0.00 0.00 61.98 58.91 1rt4 s VAL 417 Cb -0.38 -1.28 -0.04 0.00 -1.53 0.00 0.00 36.38 33.15 1rt4 s VAL 417 CO 0.45 0.42 2.03 -3.20 -3.33 0.00 0.00 175.10 171.47 1rt4 n ASN 418 N 4.81 3.46 -3.99 3.54 5.15 -1.26 -4.20 115.26 122.76 1rt4 n ASN 418 Ca -0.15 -2.78 -0.31 0.00 -0.60 0.00 0.00 54.58 50.74 1rt4 n ASN 418 Cb 0.50 -1.49 -0.15 0.00 -0.53 0.00 0.00 39.78 38.12 1rt4 n ASN 418 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1rt4 s THR 419 N 4.77 2.30 0.69 -0.44 -1.32 -1.26 -5.11 115.64 115.27 1rt4 s THR 419 Ca 0.54 -2.56 -0.17 0.00 -1.21 0.00 0.00 61.69 58.29 1rt4 s THR 419 Cb 0.11 -2.67 0.01 0.00 -1.51 0.00 0.00 72.50 68.44 1rt4 s THR 419 CO 0.03 -0.66 1.19 -2.65 -2.21 0.00 0.00 174.62 170.32 1rt4 n PRO 420 N 3.98 0.81 -2.84 7.08 -0.02 -1.26 -4.20 135.00 138.55 1rt4 n PRO 420 Ca 0.04 0.34 -0.41 0.00 -2.02 0.00 0.00 63.50 61.44 1rt4 n PRO 420 Cb 0.39 -2.43 -0.04 0.00 -0.02 0.00 0.00 33.50 31.41 1rt4 n PRO 420 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1rt4 s PRO 421 N -3.45 4.43 0.47 0.52 0.04 -1.26 -5.02 135.00 130.73 1rt4 s PRO 421 Ca 0.79 1.16 -0.22 0.00 0.04 0.00 0.00 61.00 62.77 1rt4 s PRO 421 Cb -0.36 -3.50 -0.08 0.00 0.04 0.00 0.00 34.50 30.60 1rt4 s PRO 421 CO 0.44 -0.15 1.08 -0.51 0.04 0.00 0.00 177.00 177.91 1rt4 s LEU 422 N 1.46 3.95 -0.05 -3.56 1.43 -1.26 -4.69 118.68 115.95 1rt4 s LEU 422 Ca 0.44 2.07 -0.21 0.00 -1.03 0.00 0.00 54.13 55.40 1rt4 s LEU 422 Cb -0.18 -4.40 -0.05 0.00 0.03 0.00 0.00 46.19 41.60 1rt4 s LEU 422 CO 0.19 -0.80 0.60 0.68 0.23 0.00 0.00 176.35 177.25 1rt4 s VAL 423 N -1.77 5.02 0.13 -1.59 -7.23 -0.50 -5.03 120.40 109.44 1rt4 s VAL 423 Ca 0.65 1.24 -0.03 0.00 -1.81 0.00 0.00 61.98 62.03 1rt4 s VAL 423 Cb -0.22 -3.94 -0.03 0.00 0.56 0.00 0.00 36.38 32.75 1rt4 s VAL 423 CO 0.26 0.34 0.10 -1.59 -0.31 0.00 0.00 175.10 173.90 1rt4 s LYS 424 N 0.33 0.95 -0.39 4.82 0.00 -1.26 -4.64 119.74 119.54 1rt4 s LYS 424 Ca 0.32 -1.37 -0.29 0.00 0.00 0.00 0.00 55.97 54.63 1rt4 s LYS 424 Cb -0.17 0.27 0.01 0.00 0.00 0.00 0.00 37.83 37.93 1rt4 s LYS 424 CO 0.16 -0.28 1.46 -0.51 0.00 0.00 0.00 175.35 176.18 1rt4 s LEU 425 N -3.02 3.59 0.57 2.77 1.43 -1.26 -4.89 118.68 117.86 1rt4 s LEU 425 Ca 0.22 0.91 0.26 0.00 -1.03 0.00 0.00 54.13 54.49 1rt4 s LEU 425 Cb 0.07 -3.54 1.67 0.00 0.03 0.00 0.00 46.19 44.42 1rt4 s LEU 425 CO 0.01 -1.46 2.22 -0.50 0.23 0.00 0.00 176.35 176.85 1rt4 h TRP 426 N 10.96 0.00 -2.33 0.29 4.06 -1.99 -3.45 115.95 123.49 1rt4 h TRP 426 Ca -0.28 0.00 0.15 0.00 2.06 0.00 0.00 58.89 60.81 1rt4 h TRP 426 Cb 1.11 0.00 -0.11 0.00 -1.00 0.00 0.00 29.16 29.17 1rt4 h TRP 426 CO 0.96 0.00 0.48 1.52 -3.56 0.00 0.00 178.44 177.85 1rt4 s TYR 427 N -4.75 -0.22 -0.18 0.49 -0.85 -1.26 -4.72 117.35 105.86 1rt4 s TYR 427 Ca -0.05 -0.02 -0.05 0.00 -0.52 0.00 0.00 57.07 56.43 1rt4 s TYR 427 Cb 0.16 0.60 0.09 0.00 0.38 0.00 0.00 41.96 43.18 1rt4 s TYR 427 CO 0.58 -0.72 0.34 -0.65 -1.52 0.00 0.00 175.55 173.58 1rt4 s GLN 428 N -3.23 0.24 0.45 -3.49 -0.21 -1.26 -5.10 119.66 107.06 1rt4 s GLN 428 Ca 0.09 0.80 -0.24 0.00 0.02 0.00 0.00 55.36 56.04 1rt4 s GLN 428 Cb -0.01 -0.01 -0.08 0.00 1.00 0.00 0.00 33.01 33.91 1rt4 s GLN 428 CO -0.02 -0.34 1.26 -0.51 -2.12 0.00 0.00 175.29 173.56 1rt4 s LEU 429 N 2.51 4.08 0.60 2.90 1.43 -1.26 -4.70 118.68 124.24 1rt4 s LEU 429 Ca 0.02 2.55 -0.18 0.00 -1.03 0.00 0.00 54.13 55.48 1rt4 s LEU 429 Cb -0.13 -4.08 -0.03 0.00 0.03 0.00 0.00 46.19 41.98 1rt4 s LEU 429 CO -0.11 -1.00 1.19 -1.61 0.23 0.00 0.00 176.35 175.05 1rt4 s GLU 430 N -2.51 2.98 0.23 1.70 0.41 0.99 -4.94 118.70 117.56 1rt4 s GLU 430 Ca 0.62 1.77 0.17 0.00 -0.41 0.00 0.00 54.97 57.12 1rt4 s GLU 430 Cb -0.35 -1.94 0.04 0.00 -1.78 0.00 0.00 34.13 30.10 1rt4 s GLU 430 CO 0.44 -1.18 1.25 -0.22 -0.49 0.00 0.00 175.26 175.06 1rt4 h LYS 431 N 0.83 0.00 -4.45 1.61 3.64 -1.93 -3.43 116.57 112.84 1rt4 h LYS 431 Ca -0.50 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 58.71 1rt4 h LYS 431 Cb 1.29 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 32.96 1rt4 h LYS 431 CO 0.55 0.32 -0.69 -1.83 -2.27 0.00 0.00 179.45 175.53 1rt4 s GLU 432 N -3.03 0.72 0.52 1.90 -1.05 -1.26 -5.10 118.70 111.40 1rt4 s GLU 432 Ca 0.02 -1.27 -0.21 0.00 -0.15 0.00 0.00 54.97 53.36 1rt4 s GLU 432 Cb 0.08 -0.01 -0.07 0.00 -0.44 0.00 0.00 34.13 33.69 1rt4 s GLU 432 CO 0.76 -0.06 0.99 -0.35 0.95 0.00 0.00 175.26 177.54 1rt4 n PRO 433 N 0.05 1.14 -3.05 -4.83 -0.04 -1.26 -4.87 135.00 122.14 1rt4 n PRO 433 Ca -0.13 0.42 -0.40 0.00 -0.04 0.00 0.00 63.50 63.35 1rt4 n PRO 433 Cb 0.61 -2.13 -0.05 0.00 -0.04 0.00 0.00 33.50 31.90 1rt4 n PRO 433 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1rt4 s ILE 434 N -1.41 5.03 0.14 0.52 1.01 -1.26 -5.04 121.20 120.19 1rt4 s ILE 434 Ca 0.70 1.42 -0.30 0.00 0.00 0.00 0.00 60.65 62.47 1rt4 s ILE 434 Cb -0.47 -4.03 -0.07 0.00 0.01 0.00 0.00 42.46 37.90 1rt4 s ILE 434 CO 0.52 0.22 1.04 -0.69 0.00 0.00 0.00 174.94 176.02 1rt4 s VAL 435 N 1.04 4.19 -0.74 2.92 1.01 -1.26 -3.56 120.40 123.99 1rt4 s VAL 435 Ca 0.36 1.83 -0.04 0.00 0.00 0.00 0.00 61.98 64.14 1rt4 s VAL 435 Cb -0.17 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.04 1rt4 s VAL 435 CO 0.17 0.29 0.54 0.61 0.00 0.00 0.00 175.10 176.71 1rt4 n GLY 436 N 2.20 0.14 3.11 4.51 0.00 -1.26 -5.04 105.19 108.85 1rt4 n GLY 436 Ca 0.03 -0.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.66 1rt4 n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rt4 s ALA 437 N -3.09 0.89 0.41 4.61 0.00 -1.23 -5.07 121.76 118.28 1rt4 s ALA 437 Ca 0.27 -0.81 -0.26 0.00 0.00 0.00 0.00 51.96 51.16 1rt4 s ALA 437 Cb -0.12 -0.07 -0.08 0.00 0.00 0.00 0.00 23.12 22.85 1rt4 s ALA 437 CO 0.33 0.11 1.27 -2.00 0.00 0.00 0.00 175.76 175.47 1rt4 s GLU 438 N -1.40 3.94 -0.27 0.00 2.12 -1.26 -4.81 118.70 117.01 1rt4 s GLU 438 Ca -0.04 2.08 -0.03 0.00 0.36 0.00 0.00 54.97 57.35 1rt4 s GLU 438 Cb -0.09 -2.70 0.03 0.00 0.26 0.00 0.00 34.13 31.63 1rt4 s GLU 438 CO 0.01 -0.49 -0.01 0.99 -0.54 0.00 0.00 175.26 175.21 1rt4 s THR 439 N -1.30 3.13 -0.29 -1.70 2.01 -1.26 -1.42 115.64 114.81 1rt4 s THR 439 Ca 0.58 -1.08 -0.11 0.00 0.31 0.00 0.00 61.69 61.39 1rt4 s THR 439 Cb -0.36 -2.66 -0.05 0.00 0.01 0.00 0.00 72.50 69.44 1rt4 s THR 439 CO 0.46 0.07 0.20 -0.36 -0.69 0.00 0.00 174.62 174.30 1rt4 s PHE 440 N 1.34 3.22 -0.78 4.92 0.40 0.06 -2.23 117.98 124.91 1rt4 s PHE 440 Ca -0.01 0.08 -0.17 0.00 -0.60 0.00 0.00 56.93 56.23 1rt4 s PHE 440 Cb -0.18 -2.39 0.16 0.00 0.51 0.00 0.00 43.02 41.12 1rt4 s PHE 440 CO -0.02 -0.19 0.83 0.71 0.70 0.00 0.00 175.22 177.26 1rt4 s TYR 441 N 1.76 3.37 0.25 0.36 1.51 -0.17 -1.41 117.35 123.02 1rt4 s TYR 441 Ca 0.07 -1.54 -0.11 0.00 -1.01 0.00 0.00 57.07 54.48 1rt4 s TYR 441 Cb -0.16 -3.99 -0.08 0.00 -0.11 0.00 0.00 41.96 37.62 1rt4 s TYR 441 CO 0.11 -1.20 0.60 0.14 -1.11 0.00 0.00 175.55 174.09 1rt4 s VAL 442 N 1.55 4.85 -0.19 0.71 -7.23 -0.80 -3.03 120.40 116.26 1rt4 s VAL 442 Ca 0.19 0.63 -0.27 0.00 -1.81 0.00 0.00 61.98 60.72 1rt4 s VAL 442 Cb -0.13 -3.62 0.07 0.00 0.56 0.00 0.00 36.38 33.26 1rt4 s VAL 442 CO -0.05 -0.09 0.70 -0.62 -0.31 0.00 0.00 175.10 174.73 1rt4 s ASP 443 N -2.31 -0.71 -0.07 4.85 2.15 -0.86 -4.51 116.67 115.21 1rt4 s ASP 443 Ca 0.49 1.17 -0.07 0.00 0.43 0.00 0.00 52.55 54.57 1rt4 s ASP 443 Cb -0.11 1.12 0.02 0.00 -0.30 0.00 0.00 42.92 43.65 1rt4 s ASP 443 CO 0.20 -0.38 0.20 -0.83 -0.17 0.00 0.00 175.17 174.19 1rt4 s GLY 444 N -0.20 -0.14 -0.03 2.66 0.00 -1.26 -2.17 107.32 106.19 1rt4 s GLY 444 Ca -0.04 0.51 -0.14 0.00 0.00 0.00 0.00 44.72 45.04 1rt4 s GLY 444 CO 0.04 0.42 0.31 0.00 0.00 0.00 0.00 173.10 173.87 1rt4 s ALA 445 N -0.08 -0.78 -0.04 3.20 0.00 -0.99 -4.27 121.76 118.81 1rt4 s ALA 445 Ca -0.02 0.39 -0.08 0.00 0.00 0.00 0.00 51.96 52.25 1rt4 s ALA 445 Cb -0.02 0.00 0.01 0.00 0.00 0.00 0.00 23.12 23.11 1rt4 s ALA 445 CO 0.01 -0.25 0.19 0.00 0.00 0.00 0.00 175.76 175.71 1rt4 s ALA 446 N -1.15 -0.48 -0.50 0.00 0.00 -1.26 -1.54 121.76 116.83 1rt4 s ALA 446 Ca -0.12 0.29 -0.28 0.00 0.00 0.00 0.00 51.96 51.85 1rt4 s ALA 446 Cb -0.05 -0.13 -0.00 0.00 0.00 0.00 0.00 23.12 22.94 1rt4 s ALA 446 CO 0.04 -0.16 1.60 1.21 0.00 0.00 0.00 175.76 178.45 1rt4 s ASN 447 N -0.61 5.91 0.31 0.00 3.84 0.54 -4.60 114.94 120.32 1rt4 s ASN 447 Ca -0.07 0.60 0.04 0.00 0.21 0.00 0.00 52.86 53.65 1rt4 s ASN 447 Cb -0.04 -2.54 0.81 0.00 -0.55 0.00 0.00 41.25 38.93 1rt4 s ASN 447 CO 0.01 -1.82 1.61 0.08 -2.79 0.00 0.00 177.10 174.19 1rt4 h ARG 448 N 12.29 0.10 0.08 0.43 0.11 -1.92 0.17 114.38 125.65 1rt4 h ARG 448 Ca -0.28 -0.01 -0.00 0.00 0.10 0.00 0.00 59.98 59.79 1rt4 h ARG 448 Cb 1.13 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.18 1rt4 h ARG 448 CO 1.14 0.07 -0.04 0.93 0.10 0.00 0.00 179.97 182.17 1rt4 h GLU 449 N 0.11 -0.11 0.00 0.08 5.08 -1.96 -3.32 114.58 114.45 1rt4 h GLU 449 Ca 0.61 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.98 1rt4 h GLU 449 Cb 1.30 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1rt4 h GLU 449 CO -0.77 0.43 0.00 0.25 -1.00 0.00 0.00 179.01 177.93 1rt4 n THR 450 N -4.82 0.49 -2.65 1.13 -2.24 -1.08 -4.91 114.28 100.20 1rt4 n THR 450 Ca -0.08 0.02 -0.20 0.00 -2.27 0.00 0.00 64.05 61.52 1rt4 n THR 450 Cb 0.29 -0.73 0.01 0.00 -2.10 0.00 0.00 70.33 67.80 1rt4 n THR 450 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1rt4 n LYS 451 N -1.79 -2.97 -4.87 -0.78 4.76 0.58 -4.69 118.16 108.41 1rt4 n LYS 451 Ca 0.05 0.91 -0.33 0.00 -2.87 0.00 0.00 58.31 56.07 1rt4 n LYS 451 Cb 0.31 -5.57 -0.15 0.00 -1.84 0.00 0.00 35.03 27.78 1rt4 n LYS 451 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1rt4 s LEU 452 N -5.94 2.62 0.00 -0.35 1.98 -1.22 0.09 118.68 115.85 1rt4 s LEU 452 Ca 0.13 -0.34 0.01 0.00 -2.89 0.00 0.00 54.13 51.04 1rt4 s LEU 452 Cb -0.06 -1.57 -0.00 0.00 0.66 0.00 0.00 46.19 45.22 1rt4 s LEU 452 CO 0.16 0.20 0.25 0.61 -1.89 0.00 0.00 176.35 175.68 1rt4 n GLY 453 N 3.29 2.83 2.85 7.98 0.00 -0.17 -0.34 105.19 121.63 1rt4 n GLY 453 Ca -0.18 -1.63 -0.14 0.00 0.00 0.00 0.00 46.02 44.08 1rt4 n GLY 453 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rt4 s LYS 454 N -2.61 0.07 -0.01 1.61 1.02 -0.59 -0.19 119.74 119.04 1rt4 s LYS 454 Ca 0.20 0.03 0.04 0.00 0.02 0.00 0.00 55.97 56.26 1rt4 s LYS 454 Cb 0.00 -0.16 -0.01 0.00 -0.52 0.00 0.00 37.83 37.14 1rt4 s LYS 454 CO 0.14 -0.04 -0.12 0.00 -0.92 0.00 0.00 175.35 174.41 1rt4 s ALA 455 N 0.35 1.05 0.05 5.17 0.00 -0.41 -2.34 121.76 125.63 1rt4 s ALA 455 Ca -0.03 -0.52 -0.09 0.00 0.00 0.00 0.00 51.96 51.32 1rt4 s ALA 455 Cb -0.05 -0.29 0.03 0.00 0.00 0.00 0.00 23.12 22.81 1rt4 s ALA 455 CO -0.01 0.24 0.44 0.41 0.00 0.00 0.00 175.76 176.83 1rt4 n GLY 456 N 2.89 0.88 3.83 0.00 0.00 -0.92 0.17 105.19 112.03 1rt4 n GLY 456 Ca -0.15 -0.99 -0.08 0.00 0.00 0.00 0.00 46.02 44.81 1rt4 n GLY 456 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1rt4 s TYR 457 N -3.98 -0.03 -0.20 1.61 -0.85 -1.01 -2.03 117.35 110.86 1rt4 s TYR 457 Ca 0.10 -0.54 -0.16 0.00 -0.52 0.00 0.00 57.07 55.95 1rt4 s TYR 457 Cb -0.01 0.77 0.05 0.00 0.38 0.00 0.00 41.96 43.16 1rt4 s TYR 457 CO 0.02 -1.41 0.51 0.54 -1.52 0.00 0.00 175.55 173.68 1rt4 s VAL 458 N -3.11 -0.01 0.27 -3.49 0.11 -1.17 -2.47 120.40 110.53 1rt4 s VAL 458 Ca 0.13 0.02 0.09 0.00 -2.93 0.00 0.00 61.98 59.29 1rt4 s VAL 458 Cb -0.06 -0.72 -0.04 0.00 -1.53 0.00 0.00 36.38 34.04 1rt4 s VAL 458 CO 0.09 0.01 0.06 0.42 -3.33 0.00 0.00 175.10 172.35 1rt4 s THR 459 N 0.65 3.66 -0.60 5.04 -4.23 0.17 -1.00 115.64 119.32 1rt4 s THR 459 Ca -0.03 -1.77 0.19 0.00 -1.18 0.00 0.00 61.69 58.91 1rt4 s THR 459 Cb -0.05 -2.99 0.19 0.00 1.34 0.00 0.00 72.50 70.99 1rt4 s THR 459 CO -0.04 -0.35 1.59 -0.46 -0.54 0.00 0.00 174.62 174.82 1rt4 n ASN 460 N -0.99 0.44 -1.39 3.99 6.94 -0.94 -1.01 115.26 122.30 1rt4 n ASN 460 Ca -0.06 0.63 0.07 0.00 -0.02 0.00 0.00 54.58 55.19 1rt4 n ASN 460 Cb 0.59 -0.71 0.29 0.00 -2.36 0.00 0.00 39.78 37.59 1rt4 n ASN 460 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1rt4 n ARG 461 N -2.01 3.42 0.00 -3.83 1.74 -1.26 -4.94 116.66 109.79 1rt4 n ARG 461 Ca 0.02 -2.29 0.00 0.00 -0.77 0.00 0.00 57.85 54.80 1rt4 n ARG 461 Cb 0.17 -1.87 0.00 0.00 -1.02 0.00 0.00 32.46 29.74 1rt4 n ARG 461 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rt4 n GLY 462 N 0.80 2.89 3.67 -0.13 0.00 -0.18 -5.01 105.19 107.24 1rt4 n GLY 462 Ca 0.21 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.79 1rt4 n GLY 462 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1rt4 n ARG 463 N -1.08 1.99 -3.98 1.61 0.63 -1.26 -4.63 116.66 109.94 1rt4 n ARG 463 Ca 0.00 0.70 -0.09 0.00 -0.92 0.00 0.00 57.85 57.54 1rt4 n ARG 463 Cb 0.00 -2.29 -0.08 0.00 0.45 0.00 0.00 32.46 30.54 1rt4 n ARG 463 CO 0.00 0.00 0.00 1.14 -2.51 0.00 0.00 177.63 176.26 1rt4 s GLN 464 N -1.22 1.00 -0.06 -0.14 1.03 -1.26 0.41 119.66 119.42 1rt4 s GLN 464 Ca 0.61 -1.17 -0.31 0.00 0.04 0.00 0.00 55.36 54.53 1rt4 s GLN 464 Cb -0.62 0.33 0.12 0.00 0.03 0.00 0.00 33.01 32.87 1rt4 s GLN 464 CO 0.57 -0.34 1.12 0.21 -2.54 0.00 0.00 175.29 174.32 1rt4 s LYS 465 N -3.95 0.56 -0.19 9.60 2.20 -1.03 -4.99 119.74 121.93 1rt4 s LYS 465 Ca 0.15 -0.25 -0.28 0.00 -0.36 0.00 0.00 55.97 55.22 1rt4 s LYS 465 Cb 0.05 0.23 0.11 0.00 -1.51 0.00 0.00 37.83 36.71 1rt4 s LYS 465 CO -0.03 -0.25 0.94 0.54 -0.36 0.00 0.00 175.35 176.19 1rt4 s VAL 466 N -2.69 0.00 0.02 4.02 0.11 -1.26 -2.42 120.40 118.18 1rt4 s VAL 466 Ca 0.10 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.17 1rt4 s VAL 466 Cb 0.00 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.84 1rt4 s VAL 466 CO -0.05 0.00 -0.07 -0.69 -3.33 0.00 0.00 175.10 170.96 1rt4 s VAL 467 N -0.63 0.55 -0.13 2.04 1.01 0.13 -4.95 120.40 118.41 1rt4 s VAL 467 Ca -0.02 -0.61 -0.11 0.00 0.00 0.00 0.00 61.98 61.24 1rt4 s VAL 467 Cb -0.02 -0.53 -0.05 0.00 0.00 0.00 0.00 36.38 35.79 1rt4 s VAL 467 CO 0.01 -0.06 0.22 -0.89 0.00 0.00 0.00 175.10 174.38 1rt4 s THR 468 N -0.64 5.35 -0.12 3.92 2.01 -1.26 -1.29 115.64 123.62 1rt4 s THR 468 Ca -0.02 0.40 0.02 0.00 0.31 0.00 0.00 61.69 62.39 1rt4 s THR 468 Cb -0.05 -3.53 0.01 0.00 0.01 0.00 0.00 72.50 68.94 1rt4 s THR 468 CO 0.00 0.50 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.51 1rt4 s LEU 469 N -0.26 1.79 -0.06 4.42 1.43 0.73 -4.97 118.68 121.76 1rt4 s LEU 469 Ca 0.15 -0.47 -0.14 0.00 -1.03 0.00 0.00 54.13 52.65 1rt4 s LEU 469 Cb -0.13 -1.17 -0.05 0.00 0.03 0.00 0.00 46.19 44.88 1rt4 s LEU 469 CO 0.04 0.02 0.35 -0.89 0.23 0.00 0.00 176.35 176.10 1rt4 s THR 470 N 1.00 5.18 -1.10 5.49 2.01 -1.26 -1.00 115.64 125.96 1rt4 s THR 470 Ca -0.06 0.69 -0.05 0.00 0.31 0.00 0.00 61.69 62.58 1rt4 s THR 470 Cb -0.15 -3.66 0.01 0.00 0.01 0.00 0.00 72.50 68.71 1rt4 s THR 470 CO -0.02 0.52 0.94 0.47 -0.69 0.00 0.00 174.62 175.84 1rt4 n ASP 471 N 2.38 -4.44 -4.68 3.53 9.92 0.30 -4.99 116.55 118.56 1rt4 n ASP 471 Ca -0.14 -0.48 -0.27 0.00 -0.53 0.00 0.00 54.79 53.38 1rt4 n ASP 471 Cb 0.53 -4.34 -0.09 0.00 -0.64 0.00 0.00 41.12 36.57 1rt4 n ASP 471 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1rt4 s THR 472 N -3.28 2.11 0.30 -3.53 -1.32 0.11 -5.01 115.64 105.03 1rt4 s THR 472 Ca 0.32 -1.85 0.09 0.00 -1.21 0.00 0.00 61.69 59.05 1rt4 s THR 472 Cb -0.14 -2.96 -0.06 0.00 -1.51 0.00 0.00 72.50 67.83 1rt4 s THR 472 CO 0.61 0.00 -0.11 0.42 -2.21 0.00 0.00 174.62 173.33 1rt4 s THR 473 N -2.66 2.10 0.10 5.08 -4.23 -1.26 -4.26 115.64 110.50 1rt4 s THR 473 Ca 0.37 -2.23 -0.28 0.00 -1.18 0.00 0.00 61.69 58.37 1rt4 s THR 473 Cb 0.07 -2.48 -0.10 0.00 1.34 0.00 0.00 72.50 71.32 1rt4 s THR 473 CO 0.20 -0.30 1.64 -0.55 -0.54 0.00 0.00 174.62 175.07 1rt4 h ASN 474 N 2.18 -0.75 -0.95 3.99 7.08 -1.94 0.09 115.58 125.28 1rt4 h ASN 474 Ca -0.41 0.08 0.17 0.00 -3.08 0.00 0.00 56.30 53.06 1rt4 h ASN 474 Cb 1.25 0.27 -0.08 0.00 -2.08 0.00 0.00 38.32 37.67 1rt4 h ASN 474 CO 0.67 -0.38 0.60 0.06 -2.08 0.00 0.00 177.43 176.31 1rt4 h GLN 475 N -0.53 0.67 -0.12 4.14 -0.00 -1.97 -0.43 115.11 116.87 1rt4 h GLN 475 Ca 0.01 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.65 58.60 1rt4 h GLN 475 Cb 0.52 -0.15 -0.00 0.00 -0.00 0.00 0.00 27.48 27.84 1rt4 h GLN 475 CO -0.10 0.44 -0.01 0.87 -0.00 0.00 0.00 178.83 180.03 1rt4 h LYS 476 N 0.69 0.21 -0.18 0.06 1.57 -1.77 -2.63 116.57 114.52 1rt4 h LYS 476 Ca 0.50 -0.07 0.05 0.00 -1.87 0.00 0.00 60.65 59.26 1rt4 h LYS 476 Cb 0.86 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.09 1rt4 h LYS 476 CO -0.26 0.48 -0.21 1.15 -0.57 0.00 0.00 179.45 180.04 1rt4 h THR 477 N -0.08 0.47 -0.25 -0.16 2.02 0.56 0.47 112.91 115.94 1rt4 h THR 477 Ca 0.03 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.27 1rt4 h THR 477 Cb 0.39 0.47 -0.07 0.00 -1.74 0.00 0.00 68.15 67.20 1rt4 h THR 477 CO 0.01 0.00 -0.29 -0.33 0.37 0.00 0.00 175.52 175.28 1rt4 h GLU 478 N -0.24 -0.28 -0.91 6.66 5.08 -1.22 0.83 114.58 124.50 1rt4 h GLU 478 Ca 0.12 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1rt4 h GLU 478 Cb 0.41 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 1rt4 h GLU 478 CO -0.32 -0.19 0.58 -0.07 -1.00 0.00 0.00 179.01 178.02 1rt4 h LEU 479 N -0.29 1.06 -1.16 1.33 3.38 -1.01 -1.78 115.31 116.84 1rt4 h LEU 479 Ca 0.13 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1rt4 h LEU 479 Cb 0.51 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1rt4 h LEU 479 CO -0.42 0.79 0.57 1.56 0.09 0.00 0.00 178.44 181.03 1rt4 h GLN 480 N 1.24 1.13 -0.28 1.13 1.08 0.12 0.16 115.11 119.69 1rt4 h GLN 480 Ca 0.33 -0.07 0.03 0.00 -1.45 0.00 0.00 58.65 57.49 1rt4 h GLN 480 Cb -0.11 -0.26 -0.03 0.00 -0.05 0.00 0.00 27.48 27.04 1rt4 h GLN 480 CO -0.07 0.75 0.11 0.00 -0.95 0.00 0.00 178.83 178.67 1rt4 h ALA 481 N 1.46 0.33 -0.57 3.87 0.00 -0.04 0.31 119.26 124.62 1rt4 h ALA 481 Ca 0.32 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 1rt4 h ALA 481 Cb -0.14 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1rt4 h ALA 481 CO -0.07 -0.29 0.25 0.82 0.00 0.00 0.00 179.25 179.96 1rt4 h ILE 482 N 0.25 1.20 0.17 0.00 2.04 -0.68 -1.09 117.51 119.39 1rt4 h ILE 482 Ca 0.12 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 1rt4 h ILE 482 Cb 0.08 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1rt4 h ILE 482 CO -0.11 0.24 -0.08 0.22 0.00 0.00 0.00 178.15 178.42 1rt4 h TYR 483 N 0.81 -0.21 -0.31 1.37 3.20 0.30 -1.96 116.97 120.17 1rt4 h TYR 483 Ca 0.20 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.12 1rt4 h TYR 483 Cb 0.13 0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.41 1rt4 h TYR 483 CO 0.01 0.01 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.40 1rt4 h LEU 484 N -0.40 -0.27 -0.74 2.82 3.38 -0.50 0.11 115.31 119.71 1rt4 h LEU 484 Ca -0.02 0.09 0.11 0.00 0.09 0.00 0.00 57.88 58.15 1rt4 h LEU 484 Cb 0.31 0.19 -0.08 0.00 0.09 0.00 0.00 40.66 41.17 1rt4 h LEU 484 CO 0.04 -0.09 0.36 0.00 0.09 0.00 0.00 178.44 178.84 1rt4 h ALA 485 N 1.31 1.05 -0.28 1.53 0.00 -1.13 0.39 119.26 122.13 1rt4 h ALA 485 Ca 0.15 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 1rt4 h ALA 485 Cb 0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1rt4 h ALA 485 CO -0.31 -0.07 -0.25 -0.07 0.00 0.00 0.00 179.25 178.54 1rt4 h LEU 486 N 0.59 0.55 -0.11 0.00 3.38 -0.40 -2.05 115.31 117.27 1rt4 h LEU 486 Ca 0.38 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 1rt4 h LEU 486 Cb 0.45 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1rt4 h LEU 486 CO -0.31 0.79 -0.09 1.56 0.09 0.00 0.00 178.44 180.49 1rt4 h GLN 487 N 0.48 0.24 -0.03 1.13 4.20 0.96 -3.26 115.11 118.83 1rt4 h GLN 487 Ca 0.07 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1rt4 h GLN 487 Cb 0.69 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.47 1rt4 h GLN 487 CO 0.05 0.64 0.00 -0.25 -0.67 0.00 0.00 178.83 178.60 1rt4 n ASP 488 N -4.66 0.80 -4.96 1.46 8.00 -0.05 -4.88 116.55 112.25 1rt4 n ASP 488 Ca -0.07 -1.35 -0.22 0.00 0.71 0.00 0.00 54.79 53.86 1rt4 n ASP 488 Cb 0.31 -0.02 -0.01 0.00 -0.02 0.00 0.00 41.12 41.39 1rt4 n ASP 488 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1rt4 s SER 489 N -1.87 6.12 0.00 -2.24 1.04 -0.77 -5.07 113.70 110.91 1rt4 s SER 489 Ca 0.39 0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.99 1rt4 s SER 489 Cb 0.20 -1.69 0.00 0.00 0.10 0.00 0.00 66.02 64.63 1rt4 s SER 489 CO 0.32 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 174.78 1rt4 n GLY 490 N -1.73 0.38 0.20 7.32 0.00 -1.26 -4.95 105.19 105.15 1rt4 n GLY 490 Ca -0.03 -1.65 0.03 0.00 0.00 0.00 0.00 46.02 44.37 1rt4 n GLY 490 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1rt4 h LEU 491 N 0.00 0.02 -8.54 0.99 4.07 -1.94 -3.42 115.31 106.49 1rt4 h LEU 491 Ca 0.00 -0.00 -0.66 0.00 0.08 0.00 0.00 57.88 57.29 1rt4 h LEU 491 Cb 0.00 -0.00 -0.28 0.00 1.08 0.00 0.00 40.66 41.45 1rt4 h LEU 491 CO 0.00 0.32 -0.79 -1.61 -1.08 0.00 0.00 178.44 175.28 1rt4 s GLU 492 N -4.35 3.31 -0.06 1.13 2.02 -1.26 -0.17 118.70 119.32 1rt4 s GLU 492 Ca -0.03 -0.73 -0.09 0.00 0.02 0.00 0.00 54.97 54.14 1rt4 s GLU 492 Cb 0.15 -2.57 0.02 0.00 0.10 0.00 0.00 34.13 31.83 1rt4 s GLU 492 CO 0.72 0.19 0.24 0.08 0.02 0.00 0.00 175.26 176.51 1rt4 s VAL 493 N 0.39 0.02 -0.14 2.63 1.01 -0.64 -4.30 120.40 119.38 1rt4 s VAL 493 Ca -0.12 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.66 1rt4 s VAL 493 Cb -0.16 -0.41 -0.01 0.00 0.00 0.00 0.00 36.38 35.80 1rt4 s VAL 493 CO 0.06 -0.11 -0.14 0.20 0.00 0.00 0.00 175.10 175.10 1rt4 s ASN 494 N -0.38 3.84 -0.08 3.32 0.01 -0.50 -1.04 114.94 120.11 1rt4 s ASN 494 Ca -0.05 -0.39 -0.00 0.00 -0.71 0.00 0.00 52.86 51.71 1rt4 s ASN 494 Cb -0.03 -1.58 0.02 0.00 0.41 0.00 0.00 41.25 40.07 1rt4 s ASN 494 CO 0.01 0.14 -0.05 -0.63 -1.51 0.00 0.00 177.10 175.06 1rt4 s ILE 495 N 0.49 0.75 -0.14 0.60 1.01 0.19 -0.76 121.20 123.35 1rt4 s ILE 495 Ca -0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 60.65 60.38 1rt4 s ILE 495 Cb -0.16 -0.80 -0.02 0.00 0.01 0.00 0.00 42.46 41.49 1rt4 s ILE 495 CO 0.04 0.31 -0.07 0.54 0.00 0.00 0.00 174.94 175.76 1rt4 s VAL 496 N 1.51 3.59 0.13 2.92 0.11 -0.50 -0.42 120.40 127.74 1rt4 s VAL 496 Ca -0.00 -0.47 -0.00 0.00 -2.93 0.00 0.00 61.98 58.57 1rt4 s VAL 496 Cb -0.13 -2.54 -0.04 0.00 -1.53 0.00 0.00 36.38 32.14 1rt4 s VAL 496 CO -0.04 0.52 0.03 0.28 -3.33 0.00 0.00 175.10 172.55 1rt4 s THR 497 N 0.21 0.28 -0.81 5.04 -1.32 0.09 -1.91 115.64 117.22 1rt4 s THR 497 Ca -0.04 -1.92 0.08 0.00 -1.21 0.00 0.00 61.69 58.60 1rt4 s THR 497 Cb -0.14 -1.99 0.17 0.00 -1.51 0.00 0.00 72.50 69.03 1rt4 s THR 497 CO 0.04 -0.54 1.04 -0.90 -2.21 0.00 0.00 174.62 172.04 1rt4 n ASP 498 N -0.11 2.34 -4.67 8.08 5.75 -1.26 -0.63 116.55 126.06 1rt4 n ASP 498 Ca -0.07 -1.77 -0.42 0.00 -0.01 0.00 0.00 54.79 52.51 1rt4 n ASP 498 Cb 0.63 -0.11 -0.03 0.00 -1.03 0.00 0.00 41.12 40.58 1rt4 n ASP 498 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1rt4 s SER 499 N -0.89 6.76 0.32 -1.12 0.15 -1.26 -4.64 113.70 113.02 1rt4 s SER 499 Ca 0.15 2.12 0.10 0.00 0.70 0.00 0.00 55.95 59.01 1rt4 s SER 499 Cb 0.08 -2.54 0.54 0.00 -1.71 0.00 0.00 66.02 62.39 1rt4 s SER 499 CO 0.11 -0.84 1.73 -0.61 1.20 0.00 0.00 173.24 174.84 1rt4 h GLN 500 N 8.74 0.10 -0.36 5.44 5.75 -1.95 -2.71 115.11 130.12 1rt4 h GLN 500 Ca -0.37 -0.05 -0.11 0.00 -0.15 0.00 0.00 58.65 57.98 1rt4 h GLN 500 Cb 1.17 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.70 1rt4 h GLN 500 CO 0.94 0.52 -0.22 -0.92 -2.65 0.00 0.00 178.83 176.51 1rt4 h TYR 501 N 0.09 0.79 0.00 3.99 5.03 -1.99 -2.10 116.97 122.78 1rt4 h TYR 501 Ca 0.00 -0.17 -0.03 0.00 2.58 0.00 0.00 58.73 61.11 1rt4 h TYR 501 Cb 0.81 -0.19 -0.00 0.00 1.55 0.00 0.00 36.73 38.89 1rt4 h TYR 501 CO 0.01 0.86 -0.13 0.00 -1.32 0.00 0.00 178.16 177.57 1rt4 h ALA 502 N 1.14 1.47 -0.25 1.82 0.00 -1.88 -0.14 119.26 121.42 1rt4 h ALA 502 Ca 0.09 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1rt4 h ALA 502 Cb 0.70 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1rt4 h ALA 502 CO 0.05 0.17 0.18 1.25 0.00 0.00 0.00 179.25 180.90 1rt4 h LEU 503 N 0.00 0.00 -0.54 0.00 5.85 -1.29 -0.57 115.31 118.76 1rt4 h LEU 503 Ca -0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1rt4 h LEU 503 Cb 0.30 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1rt4 h LEU 503 CO 0.02 0.00 0.19 1.23 -0.34 0.00 0.00 178.44 179.54 1rt4 h GLY 504 N 0.00 0.89 0.98 3.75 0.00 -1.09 -2.65 103.07 104.95 1rt4 h GLY 504 Ca 0.12 -0.51 -0.05 0.00 0.00 0.00 0.00 47.33 46.89 1rt4 h GLY 504 CO -0.00 0.48 0.13 -2.22 0.00 0.00 0.00 176.54 174.92 1rt4 h ILE 505 N 0.74 1.24 -0.86 2.60 2.04 -1.20 0.70 117.51 122.77 1rt4 h ILE 505 Ca 0.18 -0.84 0.06 0.00 1.00 0.00 0.00 64.86 65.26 1rt4 h ILE 505 Cb 0.24 0.82 -0.06 0.00 -0.74 0.00 0.00 36.82 37.08 1rt4 h ILE 505 CO -0.01 0.30 0.53 0.40 0.00 0.00 0.00 178.15 179.37 1rt4 h ILE 506 N 0.70 1.04 0.00 -0.67 2.04 -1.36 0.62 117.51 119.87 1rt4 h ILE 506 Ca 0.16 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 1rt4 h ILE 506 Cb 0.32 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 1rt4 h ILE 506 CO 0.00 0.18 -0.02 -0.61 0.00 0.00 0.00 178.15 177.70 1rt4 h GLN 507 N 0.97 0.01 0.00 2.37 4.15 -1.28 -3.39 115.11 117.93 1rt4 h GLN 507 Ca 0.37 -0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.67 1rt4 h GLN 507 Cb 0.17 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 1rt4 h GLN 507 CO -0.17 0.92 -1.36 0.00 -1.93 0.00 0.00 178.83 176.28 1rt4 n ALA 508 N -2.57 2.17 -3.99 3.38 0.00 0.22 -4.61 120.51 115.12 1rt4 n ALA 508 Ca -0.10 -0.47 -0.40 0.00 0.00 0.00 0.00 53.44 52.47 1rt4 n ALA 508 Cb 0.45 -0.96 0.02 0.00 0.00 0.00 0.00 19.45 18.95 1rt4 n ALA 508 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1rt4 n GLN 509 N -2.77 -0.62 -2.40 0.00 6.02 0.21 -4.90 117.38 112.92 1rt4 n GLN 509 Ca -0.07 0.27 -0.37 0.00 -0.01 0.00 0.00 57.00 56.83 1rt4 n GLN 509 Cb 0.74 -2.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.48 1rt4 n GLN 509 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1rt4 s PRO 510 N -6.71 3.95 -0.11 -1.09 0.04 -1.26 -4.88 135.00 124.94 1rt4 s PRO 510 Ca 0.36 1.63 0.14 0.00 0.04 0.00 0.00 61.00 63.17 1rt4 s PRO 510 Cb -0.20 -2.46 0.34 0.00 0.04 0.00 0.00 34.50 32.23 1rt4 s PRO 510 CO 0.95 -0.35 1.25 -0.40 0.04 0.00 0.00 177.00 178.49 1rt4 n ASP 511 N -0.31 2.97 -3.62 6.66 5.68 -0.00 -4.94 116.55 122.98 1rt4 n ASP 511 Ca 0.06 -2.75 -0.10 0.00 -0.50 0.00 0.00 54.79 51.50 1rt4 n ASP 511 Cb 0.49 -0.38 -0.07 0.00 -1.14 0.00 0.00 41.12 40.02 1rt4 n ASP 511 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1rt4 s GLN 512 N -2.32 0.57 0.21 0.11 -2.07 -1.06 -4.95 119.66 110.14 1rt4 s GLN 512 Ca 0.30 0.55 -0.12 0.00 -1.82 0.00 0.00 55.36 54.27 1rt4 s GLN 512 Cb 0.24 0.28 0.00 0.00 -1.09 0.00 0.00 33.01 32.44 1rt4 s GLN 512 CO 0.07 -0.09 0.42 0.45 -1.32 0.00 0.00 175.29 174.82 1rt4 s SER 513 N -0.02 -0.08 0.09 12.60 0.15 -1.26 -1.66 113.70 123.51 1rt4 s SER 513 Ca 0.02 -0.83 -0.06 0.00 0.70 0.00 0.00 55.95 55.78 1rt4 s SER 513 Cb -0.04 0.54 -0.22 0.00 -1.71 0.00 0.00 66.02 64.59 1rt4 s SER 513 CO -0.04 -1.05 1.19 1.05 1.20 0.00 0.00 173.24 175.60 1rt4 h GLU 514 N 2.33 0.37 -6.24 5.44 4.11 -1.41 -3.45 114.58 115.74 1rt4 h GLU 514 Ca -0.28 -0.52 -0.56 0.00 0.07 0.00 0.00 59.36 58.06 1rt4 h GLU 514 Cb 1.25 0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.64 1rt4 h GLU 514 CO 0.40 1.21 0.77 0.45 0.07 0.00 0.00 179.01 181.91 1rt4 s SER 515 N -7.18 7.02 0.33 3.06 0.15 -1.26 -4.92 113.70 110.90 1rt4 s SER 515 Ca -0.05 1.74 0.02 0.00 0.70 0.00 0.00 55.95 58.35 1rt4 s SER 515 Cb 0.07 -2.55 0.57 0.00 -1.71 0.00 0.00 66.02 62.41 1rt4 s SER 515 CO 0.89 -0.65 1.95 -0.08 1.20 0.00 0.00 173.24 176.55 1rt4 h GLU 516 N 7.72 0.80 0.26 5.44 4.57 -1.99 -1.84 114.58 129.54 1rt4 h GLU 516 Ca -0.30 -0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 57.78 1rt4 h GLU 516 Cb 1.13 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.56 1rt4 h GLU 516 CO 0.92 0.60 -0.12 1.25 -1.18 0.00 0.00 179.01 180.47 1rt4 h LEU 517 N 0.81 -0.30 -0.82 1.64 6.46 -1.98 -0.65 115.31 120.47 1rt4 h LEU 517 Ca 0.21 -0.04 0.15 0.00 -0.12 0.00 0.00 57.88 58.08 1rt4 h LEU 517 Cb 0.04 0.08 -0.10 0.00 -0.73 0.00 0.00 40.66 39.95 1rt4 h LEU 517 CO -0.03 -0.16 0.38 0.58 -0.62 0.00 0.00 178.44 178.60 1rt4 h VAL 518 N -0.41 0.68 -0.82 1.05 2.07 -1.87 0.26 116.25 117.20 1rt4 h VAL 518 Ca -0.04 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1rt4 h VAL 518 Cb 0.32 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.14 1rt4 h VAL 518 CO 0.06 0.10 0.51 0.78 0.02 0.00 0.00 177.57 179.04 1rt4 h ASN 519 N 0.54 0.98 -0.35 0.57 2.35 -0.78 0.28 115.58 119.16 1rt4 h ASN 519 Ca 0.45 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 56.15 1rt4 h ASN 519 Cb 0.68 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.79 1rt4 h ASN 519 CO -0.39 0.74 0.21 1.56 -1.65 0.00 0.00 177.43 177.90 1rt4 h GLN 520 N 1.13 0.48 -0.22 0.81 1.08 0.10 0.65 115.11 119.14 1rt4 h GLN 520 Ca 0.30 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.45 1rt4 h GLN 520 Cb -0.07 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.25 1rt4 h GLN 520 CO -0.06 0.36 0.13 0.82 -0.95 0.00 0.00 178.83 179.13 1rt4 h ILE 521 N 0.46 1.09 -0.53 2.54 2.04 -0.41 -1.87 117.51 120.83 1rt4 h ILE 521 Ca 0.13 -0.22 0.10 0.00 1.00 0.00 0.00 64.86 65.87 1rt4 h ILE 521 Cb 0.00 0.84 -0.08 0.00 -0.74 0.00 0.00 36.82 36.84 1rt4 h ILE 521 CO -0.02 0.08 0.06 0.40 0.00 0.00 0.00 178.15 178.67 1rt4 h ILE 522 N 0.26 0.64 -0.80 -0.67 2.04 0.19 0.20 117.51 119.38 1rt4 h ILE 522 Ca 0.08 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 1rt4 h ILE 522 Cb 0.02 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 36.51 1rt4 h ILE 522 CO -0.01 0.03 0.42 -0.33 0.00 0.00 0.00 178.15 178.26 1rt4 h GLU 523 N 0.18 1.13 -0.54 2.37 4.39 -0.54 -1.96 114.58 119.61 1rt4 h GLU 523 Ca 0.27 -0.15 -0.09 0.00 0.34 0.00 0.00 59.36 59.74 1rt4 h GLU 523 Cb 0.40 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1rt4 h GLU 523 CO -0.40 0.85 -0.01 0.37 -1.16 0.00 0.00 179.01 178.67 1rt4 h GLN 524 N 1.12 0.95 -0.82 2.33 5.75 -0.40 -2.29 115.11 121.76 1rt4 h GLN 524 Ca 0.28 -0.31 -0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1rt4 h GLN 524 Cb 0.07 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.49 1rt4 h GLN 524 CO -0.04 0.97 0.50 -0.07 -2.65 0.00 0.00 178.83 177.53 1rt4 h LEU 525 N 0.83 0.98 -0.91 -2.39 3.38 -0.31 -2.21 115.31 114.68 1rt4 h LEU 525 Ca 0.15 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1rt4 h LEU 525 Cb 0.54 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1rt4 h LEU 525 CO 0.03 0.75 0.23 0.40 0.09 0.00 0.00 178.44 179.94 1rt4 h ILE 526 N 1.12 1.24 0.00 1.22 2.04 -1.13 -2.56 117.51 119.45 1rt4 h ILE 526 Ca 0.29 -0.82 -0.03 0.00 1.00 0.00 0.00 64.86 65.30 1rt4 h ILE 526 Cb -0.05 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1rt4 h ILE 526 CO -0.06 0.32 -0.16 0.11 0.00 0.00 0.00 178.15 178.37 1rt4 h LYS 527 N 0.99 0.00 -7.07 2.37 1.57 -0.83 -3.45 116.57 110.15 1rt4 h LYS 527 Ca 0.22 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.53 1rt4 h LYS 527 Cb 0.25 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.59 1rt4 h LYS 527 CO -0.01 0.16 0.39 0.15 -0.57 0.00 0.00 179.45 179.57 1rt4 s LYS 528 N -3.98 3.78 -0.09 3.15 -0.14 -0.96 -4.99 119.74 116.51 1rt4 s LYS 528 Ca -0.02 1.38 -0.26 0.00 -1.36 0.00 0.00 55.97 55.72 1rt4 s LYS 528 Cb 0.12 -2.10 -0.26 0.00 -1.68 0.00 0.00 37.83 33.91 1rt4 s LYS 528 CO 0.60 -0.45 0.91 1.49 -0.76 0.00 0.00 175.35 177.14 1rt4 h GLU 529 N 1.56 0.12 -2.79 1.68 4.81 -0.86 -3.46 114.58 115.64 1rt4 h GLU 529 Ca -0.50 -0.16 -0.17 0.00 -0.13 0.00 0.00 59.36 58.41 1rt4 h GLU 529 Cb 1.22 0.05 -0.29 0.00 0.63 0.00 0.00 28.75 30.36 1rt4 h GLU 529 CO 0.59 1.00 -0.43 0.15 -0.73 0.00 0.00 179.01 179.58 1rt4 s LYS 530 N -2.67 0.25 -0.04 1.92 1.02 -0.79 -5.02 119.74 114.42 1rt4 s LYS 530 Ca -0.17 0.75 0.05 0.00 0.02 0.00 0.00 55.97 56.62 1rt4 s LYS 530 Cb -0.01 0.01 -0.01 0.00 -0.52 0.00 0.00 37.83 37.31 1rt4 s LYS 530 CO 0.73 -0.22 -0.19 0.08 -0.92 0.00 0.00 175.35 174.84 1rt4 s VAL 531 N 1.90 1.58 -0.19 3.17 1.01 -1.26 -1.63 120.40 124.99 1rt4 s VAL 531 Ca -0.05 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1rt4 s VAL 531 Cb -0.11 -1.35 0.04 0.00 0.00 0.00 0.00 36.38 34.96 1rt4 s VAL 531 CO -0.10 0.45 -0.11 -0.47 0.00 0.00 0.00 175.10 174.86 1rt4 s TYR 532 N -0.08 2.36 -0.18 5.22 5.04 -0.20 -0.01 117.35 129.50 1rt4 s TYR 532 Ca -0.02 -1.50 -0.05 0.00 -2.44 0.00 0.00 57.07 53.06 1rt4 s TYR 532 Cb -0.11 -1.63 -0.03 0.00 0.35 0.00 0.00 41.96 40.53 1rt4 s TYR 532 CO 0.02 -0.73 -0.00 -1.17 -1.34 0.00 0.00 175.55 172.33 1rt4 s LEU 533 N 1.42 3.38 0.07 6.97 2.96 -1.26 -0.64 118.68 131.58 1rt4 s LEU 533 Ca 0.00 -0.10 0.07 0.00 -0.22 0.00 0.00 54.13 53.88 1rt4 s LEU 533 Cb -0.15 -1.84 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 1rt4 s LEU 533 CO -0.09 0.14 -0.19 0.00 -1.32 0.00 0.00 176.35 174.89 1rt4 s ALA 534 N 0.56 1.62 -0.02 5.97 0.00 0.44 -4.97 121.76 125.35 1rt4 s ALA 534 Ca -0.01 -1.10 0.06 0.00 0.00 0.00 0.00 51.96 50.91 1rt4 s ALA 534 Cb -0.14 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 1rt4 s ALA 534 CO 0.02 0.33 -0.19 -0.46 0.00 0.00 0.00 175.76 175.46 1rt4 s TRP 535 N -1.03 2.54 0.03 0.00 -0.00 -1.25 -0.73 118.94 118.50 1rt4 s TRP 535 Ca 0.05 -0.28 0.03 0.00 -0.00 0.00 0.00 56.10 55.90 1rt4 s TRP 535 Cb -0.09 -1.55 -0.02 0.00 -0.00 0.00 0.00 33.47 31.81 1rt4 s TRP 535 CO 0.03 0.12 -0.09 0.14 -0.00 0.00 0.00 176.95 177.15 1rt4 s VAL 536 N -0.73 0.65 0.57 5.86 -7.23 0.20 -4.93 120.40 114.79 1rt4 s VAL 536 Ca 0.12 -0.78 -0.21 0.00 -1.81 0.00 0.00 61.98 59.30 1rt4 s VAL 536 Cb -0.10 -0.63 -0.04 0.00 0.56 0.00 0.00 36.38 36.16 1rt4 s VAL 536 CO 0.01 -0.12 1.32 -2.65 -0.31 0.00 0.00 175.10 173.35 1rt4 n PRO 537 N 2.06 1.54 -2.24 4.82 -0.02 -1.26 -4.01 135.00 135.90 1rt4 n PRO 537 Ca -0.18 0.57 -0.29 0.00 -2.02 0.00 0.00 63.50 61.58 1rt4 n PRO 537 Cb 0.56 -2.53 0.02 0.00 -0.02 0.00 0.00 33.50 31.52 1rt4 n PRO 537 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rt4 s ALA 538 N -1.32 3.21 -1.48 3.55 0.00 -1.26 -4.28 121.76 120.19 1rt4 s ALA 538 Ca 0.74 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.31 1rt4 s ALA 538 Cb -0.41 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1rt4 s ALA 538 CO 0.48 -0.66 0.00 0.72 0.00 0.00 0.00 175.76 176.29 1rt4 n HIS 539 N -2.59 -0.77 -1.51 0.00 8.25 -1.26 -4.96 115.22 112.38 1rt4 n HIS 539 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1rt4 n HIS 539 Cb 0.56 -3.02 0.00 0.00 1.12 0.00 0.00 29.99 28.64 1rt4 n HIS 539 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1rt4 n LYS 540 N -2.46 3.81 0.08 -0.41 4.01 -1.26 -5.03 118.16 116.91 1rt4 n LYS 540 Ca -0.17 0.00 -0.08 0.00 -0.51 0.00 0.00 58.31 57.55 1rt4 n LYS 540 Cb 0.57 0.00 -0.07 0.00 -0.51 0.00 0.00 35.03 35.03 1rt4 n LYS 540 CO 0.00 0.00 0.00 0.78 -1.11 0.00 0.00 177.40 177.07 1rt4 h GLY 541 N 0.00 0.09 1.00 0.72 0.00 -1.93 -3.53 103.07 99.42 1rt4 h GLY 541 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1rt4 h GLY 541 CO 0.00 0.17 0.00 1.39 0.00 0.00 0.00 176.54 178.10