#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jsm n PRO 4 N 0.00 0.39 -1.16 1.43 -0.02 -1.26 -4.88 135.00 129.51 3jsm n PRO 4 Ca 0.00 -1.10 0.00 0.00 -2.02 0.00 0.00 63.50 60.38 3jsm n PRO 4 Cb 0.00 -3.69 0.00 0.00 -0.02 0.00 0.00 33.50 29.79 3jsm n PRO 4 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3jsm n ILE 5 N 8.78 0.00 -2.97 4.25 5.41 -1.26 -5.11 119.36 128.46 3jsm n ILE 5 Ca 0.45 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 64.06 3jsm n ILE 5 Cb 0.44 -0.58 -0.02 0.00 -0.71 0.00 0.00 39.64 38.77 3jsm n ILE 5 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 3jsm n GLU 6 N -0.47 0.57 -2.48 0.38 0.28 -1.26 -5.07 120.64 112.58 3jsm n GLU 6 Ca 0.00 -2.42 -0.39 0.00 -0.16 0.00 0.00 57.16 54.19 3jsm n GLU 6 Cb 0.00 -1.46 -0.03 0.00 1.43 0.00 0.00 31.44 31.38 3jsm n GLU 6 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 3jsm s THR 7 N 0.25 3.84 0.18 3.84 -4.23 -1.26 -4.97 115.64 113.28 3jsm s THR 7 Ca 0.32 -0.62 -0.33 0.00 -1.18 0.00 0.00 61.69 59.88 3jsm s THR 7 Cb 0.11 -4.89 -0.15 0.00 1.34 0.00 0.00 72.50 68.91 3jsm s THR 7 CO -0.15 -1.79 1.39 1.33 -0.54 0.00 0.00 174.62 174.87 3jsm n VAL 8 N 7.00 0.51 -2.09 2.29 0.24 -1.26 -4.59 118.33 120.42 3jsm n VAL 8 Ca 0.32 -0.13 -0.33 0.00 -2.04 0.00 0.00 64.34 62.16 3jsm n VAL 8 Cb 0.50 -1.25 0.01 0.00 -1.47 0.00 0.00 33.84 31.64 3jsm n VAL 8 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3jsm s PRO 9 N 0.12 3.27 -0.02 7.34 0.04 -1.26 -4.35 135.00 140.13 3jsm s PRO 9 Ca 0.75 1.35 -0.05 0.00 0.04 0.00 0.00 61.00 63.09 3jsm s PRO 9 Cb -0.75 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 31.78 3jsm s PRO 9 CO 0.46 -0.87 0.11 0.08 0.04 0.00 0.00 177.00 176.82 3jsm s VAL 10 N -2.23 0.04 0.08 -0.36 1.01 -1.26 -5.09 120.40 112.59 3jsm s VAL 10 Ca 0.67 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 62.32 3jsm s VAL 10 Cb -0.19 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 3jsm s VAL 10 CO 0.34 -0.19 -0.07 -0.75 0.00 0.00 0.00 175.10 174.43 3jsm s LYS 11 N -0.61 0.74 0.39 2.72 2.20 -1.26 -4.81 119.74 119.11 3jsm s LYS 11 Ca -0.07 -1.15 -0.11 0.00 -0.36 0.00 0.00 55.97 54.29 3jsm s LYS 11 Cb -0.04 -0.24 -0.07 0.00 -1.51 0.00 0.00 37.83 35.97 3jsm s LYS 11 CO 0.01 0.01 0.75 -0.51 -0.36 0.00 0.00 175.35 175.24 3jsm s LEU 12 N -2.56 3.87 1.03 5.43 1.43 -1.26 -3.50 118.68 123.11 3jsm s LEU 12 Ca 0.05 1.12 -0.23 0.00 -1.03 0.00 0.00 54.13 54.04 3jsm s LEU 12 Cb 0.00 -3.99 -0.10 0.00 0.03 0.00 0.00 46.19 42.13 3jsm s LEU 12 CO -0.03 -0.37 -0.91 0.29 0.23 0.00 0.00 176.35 175.57 3jsm n LYS 13 N -1.18 -0.41 -1.69 1.70 5.02 -1.16 -4.72 118.16 115.72 3jsm n LYS 13 Ca 0.02 -0.11 -0.44 0.00 -2.02 0.00 0.00 58.31 55.76 3jsm n LYS 13 Cb 0.54 -1.23 -0.03 0.00 -0.02 0.00 0.00 35.03 34.29 3jsm n LYS 13 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3jsm n PRO 14 N 1.09 2.23 -3.75 1.97 -0.04 -1.26 -3.40 135.00 131.84 3jsm n PRO 14 Ca -0.01 0.80 -0.26 0.00 -0.04 0.00 0.00 63.50 63.99 3jsm n PRO 14 Cb 0.67 -2.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 3jsm n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3jsm n GLY 15 N 2.41 -1.16 2.77 0.55 0.00 -1.26 -4.98 105.19 103.53 3jsm n GLY 15 Ca 0.12 0.53 -0.18 0.00 0.00 0.00 0.00 46.02 46.48 3jsm n GLY 15 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3jsm s MET 16 N -5.06 0.14 0.91 1.61 -1.94 -1.22 -5.15 119.30 108.59 3jsm s MET 16 Ca 0.06 0.29 -0.11 0.00 -1.71 0.00 0.00 55.69 54.21 3jsm s MET 16 Cb -0.03 -0.99 0.13 0.00 2.01 0.00 0.00 34.83 35.95 3jsm s MET 16 CO 0.84 -0.56 1.09 0.34 -0.01 0.00 0.00 175.02 176.72 3jsm s ASP 17 N 2.31 3.36 1.06 3.03 -1.08 -1.26 -4.77 116.67 119.33 3jsm s ASP 17 Ca 0.05 1.52 -0.13 0.00 -0.52 0.00 0.00 52.55 53.47 3jsm s ASP 17 Cb -0.15 -2.19 0.18 0.00 -1.46 0.00 0.00 42.92 39.30 3jsm s ASP 17 CO -0.10 -2.71 0.92 0.61 0.52 0.00 0.00 175.17 174.40 3jsm n GLY 18 N -1.00 -1.85 3.73 2.66 0.00 -1.26 -4.98 105.19 102.50 3jsm n GLY 18 Ca 0.07 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 44.05 3jsm n GLY 18 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3jsm s PRO 19 N -5.02 4.40 -0.41 1.61 0.04 -1.26 -4.95 135.00 129.41 3jsm s PRO 19 Ca 0.54 2.01 0.11 0.00 0.04 0.00 0.00 61.00 63.70 3jsm s PRO 19 Cb -0.03 -3.21 0.35 0.00 0.04 0.00 0.00 34.50 31.66 3jsm s PRO 19 CO 0.39 -0.24 0.79 1.63 0.04 0.00 0.00 177.00 179.62 3jsm n LYS 20 N 2.76 1.49 -4.03 4.56 5.02 -1.22 0.26 118.16 126.99 3jsm n LYS 20 Ca 0.06 -3.70 -0.33 0.00 -2.02 0.00 0.00 58.31 52.32 3jsm n LYS 20 Cb 0.43 -1.80 -0.06 0.00 -0.02 0.00 0.00 35.03 33.58 3jsm n LYS 20 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3jsm s VAL 21 N -2.94 4.97 0.32 -0.18 0.11 -0.79 -4.85 120.40 117.04 3jsm s VAL 21 Ca 0.41 -0.32 -0.22 0.00 -2.93 0.00 0.00 61.98 58.93 3jsm s VAL 21 Cb 0.34 -3.29 -0.09 0.00 -1.53 0.00 0.00 36.38 31.81 3jsm s VAL 21 CO -0.09 0.35 0.85 -0.54 -3.33 0.00 0.00 175.10 172.34 3jsm s LYS 22 N -1.79 4.33 0.38 1.54 1.02 -1.26 -3.91 119.74 120.06 3jsm s LYS 22 Ca 0.24 1.06 -0.26 0.00 0.02 0.00 0.00 55.97 57.03 3jsm s LYS 22 Cb -0.12 -2.65 -0.09 0.00 -0.52 0.00 0.00 37.83 34.45 3jsm s LYS 22 CO 0.15 0.23 1.19 -1.14 -0.92 0.00 0.00 175.35 174.86 3jsm s GLN 23 N -2.39 4.15 0.11 1.68 2.00 -1.26 -4.60 119.66 119.34 3jsm s GLN 23 Ca 0.51 1.91 0.08 0.00 -2.00 0.00 0.00 55.36 55.85 3jsm s GLN 23 Cb -0.15 -2.79 -0.04 0.00 0.80 0.00 0.00 33.01 30.83 3jsm s GLN 23 CO 0.20 -0.26 -0.13 1.67 -0.50 0.00 0.00 175.29 176.27 3jsm s TRP 24 N -1.34 2.65 0.14 1.67 1.48 -1.26 -5.07 118.94 117.21 3jsm s TRP 24 Ca 0.55 -0.20 -0.25 0.00 -1.06 0.00 0.00 56.10 55.14 3jsm s TRP 24 Cb -0.32 -1.40 -0.15 0.00 -1.16 0.00 0.00 33.47 30.44 3jsm s TRP 24 CO 0.41 0.41 0.50 -2.30 -4.06 0.00 0.00 176.95 171.91 3jsm n PRO 25 N 0.75 0.00 -1.84 3.25 -0.02 -1.26 -4.95 135.00 130.92 3jsm n PRO 25 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 3jsm n PRO 25 Cb 0.52 -0.89 0.00 0.00 -0.02 0.00 0.00 33.50 33.11 3jsm n PRO 25 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3jsm n LEU 26 N 1.60 0.00 -4.68 2.45 4.77 -1.26 -5.16 117.00 114.72 3jsm n LEU 26 Ca 0.15 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.90 3jsm n LEU 26 Cb 0.19 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.21 3jsm n LEU 26 CO 0.47 0.00 -0.30 -0.89 -1.33 0.00 0.00 177.39 175.34 3jsm s THR 27 N -1.02 3.66 0.13 -5.08 2.01 -1.26 -4.96 115.64 109.11 3jsm s THR 27 Ca 0.00 -1.76 -0.29 0.00 0.31 0.00 0.00 61.69 59.94 3jsm s THR 27 Cb 0.00 -2.95 -0.07 0.00 0.01 0.00 0.00 72.50 69.50 3jsm s THR 27 CO 0.00 -0.34 1.59 -0.08 -0.69 0.00 0.00 174.62 175.10 3jsm h GLU 28 N 1.92 -0.51 -1.01 4.92 4.81 -2.02 0.11 114.58 122.80 3jsm h GLU 28 Ca -0.45 0.03 0.25 0.00 -0.13 0.00 0.00 59.36 59.06 3jsm h GLU 28 Cb 1.24 0.12 -0.09 0.00 0.63 0.00 0.00 28.75 30.65 3jsm h GLU 28 CO 0.60 -0.34 0.65 1.05 -0.73 0.00 0.00 179.01 180.24 3jsm h GLU 29 N -0.53 0.41 0.06 1.92 4.11 -1.99 -0.71 114.58 117.85 3jsm h GLU 29 Ca 0.06 -0.02 -0.28 0.00 0.07 0.00 0.00 59.36 59.19 3jsm h GLU 29 Cb 0.64 -0.09 0.02 0.00 0.50 0.00 0.00 28.75 29.82 3jsm h GLU 29 CO -0.35 0.27 -1.14 0.87 0.07 0.00 0.00 179.01 178.73 3jsm h LYS 30 N 0.42 0.62 -0.07 1.06 1.57 -1.28 -3.14 116.57 115.75 3jsm h LYS 30 Ca 0.56 -0.75 -0.16 0.00 -1.87 0.00 0.00 60.65 58.43 3jsm h LYS 30 Cb 1.39 0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.92 3jsm h LYS 30 CO -0.27 1.33 -0.65 0.82 -0.57 0.00 0.00 179.45 180.11 3jsm h ILE 31 N 0.31 1.39 0.00 1.86 2.04 -0.20 0.23 117.51 123.14 3jsm h ILE 31 Ca -0.15 -2.07 -0.06 0.00 1.00 0.00 0.00 64.86 63.58 3jsm h ILE 31 Cb 1.80 2.05 -0.01 0.00 -0.74 0.00 0.00 36.82 39.93 3jsm h ILE 31 CO 0.22 0.61 -0.29 0.11 0.00 0.00 0.00 178.15 178.80 3jsm h LYS 32 N 0.21 0.00 0.00 2.37 1.57 -1.25 0.27 116.57 119.74 3jsm h LYS 32 Ca -0.01 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 3jsm h LYS 32 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 3jsm h LYS 32 CO 0.10 0.29 -0.44 0.00 -0.57 0.00 0.00 179.45 178.84 3jsm h ALA 33 N 1.71 0.07 -0.81 3.86 0.00 -1.45 -2.59 119.26 120.05 3jsm h ALA 33 Ca -0.00 -0.58 0.24 0.00 0.00 0.00 0.00 54.91 54.56 3jsm h ALA 33 Cb 0.54 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 3jsm h ALA 33 CO 0.04 0.29 0.63 1.25 0.00 0.00 0.00 179.25 181.46 3jsm h LEU 34 N -1.00 0.00 0.13 0.00 7.12 -0.51 0.34 115.31 121.39 3jsm h LEU 34 Ca -0.10 0.00 -0.33 0.00 0.13 0.00 0.00 57.88 57.59 3jsm h LEU 34 Cb 0.76 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.88 3jsm h LEU 34 CO -0.06 0.00 -1.69 1.62 -0.13 0.00 0.00 178.44 178.18 3jsm h VAL 35 N 0.00 0.97 0.00 1.05 3.04 -1.04 -2.60 116.25 117.67 3jsm h VAL 35 Ca 0.39 -2.63 -0.06 0.00 -1.01 0.00 0.00 66.70 63.39 3jsm h VAL 35 Cb 1.64 2.68 -0.01 0.00 -2.01 0.00 0.00 31.29 33.60 3jsm h VAL 35 CO -0.00 0.81 -0.27 -0.08 -1.01 0.00 0.00 177.57 177.02 3jsm h GLU 36 N 0.07 0.00 0.03 4.17 4.81 -0.58 -2.05 114.58 121.02 3jsm h GLU 36 Ca -0.31 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.92 3jsm h GLU 36 Cb 2.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.42 3jsm h GLU 36 CO 0.15 0.27 -0.01 0.82 -0.73 0.00 0.00 179.01 179.50 3jsm h ILE 37 N 0.00 0.00 -1.17 2.32 2.04 -0.50 -3.15 117.51 117.05 3jsm h ILE 37 Ca -0.00 -0.05 0.35 0.00 1.00 0.00 0.00 64.86 66.16 3jsm h ILE 37 Cb 0.64 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.61 3jsm h ILE 37 CO 0.04 0.00 0.75 0.00 0.00 0.00 0.00 178.15 178.93 3jsm h THR 39 N 0.23 0.35 0.44 0.00 2.02 -1.46 0.34 112.91 114.83 3jsm h THR 39 Ca 0.72 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.87 3jsm h THR 39 Cb 2.04 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.81 3jsm h THR 39 CO -0.38 0.00 -0.21 -0.08 0.37 0.00 0.00 175.52 175.22 3jsm h GLU 40 N -0.49 -0.56 -1.37 6.66 4.57 0.08 -2.01 114.58 121.45 3jsm h GLU 40 Ca 0.04 0.04 0.40 0.00 -1.18 0.00 0.00 59.36 58.66 3jsm h GLU 40 Cb 0.54 0.13 -0.06 0.00 -0.16 0.00 0.00 28.75 29.21 3jsm h GLU 40 CO -0.20 -0.31 0.98 0.52 -1.18 0.00 0.00 179.01 178.81 3jsm h MET 41 N -0.71 0.01 0.10 1.92 2.86 -0.61 0.91 114.93 119.42 3jsm h MET 41 Ca -0.06 -0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.27 3jsm h MET 41 Cb 0.51 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 3jsm h MET 41 CO 0.10 0.01 -1.58 1.49 1.06 0.00 0.00 176.91 177.99 3jsm h GLU 42 N 0.01 0.22 0.00 1.72 4.81 -0.61 -0.26 114.58 120.47 3jsm h GLU 42 Ca 0.65 -0.37 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 3jsm h GLU 42 Cb 2.60 0.14 0.00 0.00 0.63 0.00 0.00 28.75 32.12 3jsm h GLU 42 CO -0.02 1.06 0.00 1.17 -0.73 0.00 0.00 179.01 180.49 3jsm n LYS 43 N -3.41 0.27 -1.46 1.92 4.81 0.30 -0.34 118.16 120.25 3jsm n LYS 43 Ca -0.17 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.30 3jsm n LYS 43 Cb 1.04 -1.37 0.05 0.00 0.02 0.00 0.00 35.03 34.77 3jsm n LYS 43 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3jsm n GLU 44 N -0.87 0.45 -3.05 1.64 1.02 -1.13 -5.02 120.64 113.67 3jsm n GLU 44 Ca 0.05 -2.36 -0.12 0.00 -0.02 0.00 0.00 57.16 54.71 3jsm n GLU 44 Cb 0.02 -0.42 -0.02 0.00 -0.02 0.00 0.00 31.44 31.00 3jsm n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3jsm n GLY 45 N 0.13 -0.47 0.07 0.62 0.00 0.54 -4.75 105.19 101.33 3jsm n GLY 45 Ca 0.09 0.02 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 3jsm n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3jsm h LYS 46 N -0.25 0.00 -5.54 1.61 1.57 -1.27 -3.42 116.57 109.27 3jsm h LYS 46 Ca -0.17 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.17 3jsm h LYS 46 Cb 1.11 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.24 3jsm h LYS 46 CO 0.25 0.65 -0.77 0.96 -0.57 0.00 0.00 179.45 179.98 3jsm s ILE 47 N -2.64 1.41 -0.05 1.86 -4.36 -1.08 -0.75 121.20 115.59 3jsm s ILE 47 Ca -0.03 -1.69 -0.00 0.00 -0.26 0.00 0.00 60.65 58.67 3jsm s ILE 47 Cb 0.09 -1.54 0.03 0.00 1.25 0.00 0.00 42.46 42.29 3jsm s ILE 47 CO 0.82 -0.36 -0.01 -0.44 0.24 0.00 0.00 174.94 175.20 3jsm s SER 48 N -2.38 1.10 0.25 4.36 0.01 -0.64 -4.38 113.70 112.02 3jsm s SER 48 Ca 0.09 -0.08 -0.30 0.00 1.31 0.00 0.00 55.95 56.97 3jsm s SER 48 Cb -0.06 -0.38 -0.14 0.00 0.21 0.00 0.00 66.02 65.65 3jsm s SER 48 CO 0.04 -0.13 1.09 0.29 0.41 0.00 0.00 173.24 174.94 3jsm n LYS 49 N 4.59 1.37 -4.17 12.44 5.02 -1.26 -1.96 118.16 134.19 3jsm n LYS 49 Ca -0.17 0.48 -0.10 0.00 -2.02 0.00 0.00 58.31 56.50 3jsm n LYS 49 Cb 0.50 -1.92 -0.10 0.00 -0.02 0.00 0.00 35.03 33.50 3jsm n LYS 49 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3jsm s ILE 50 N -0.72 0.08 0.00 -0.18 -4.36 -1.23 -4.86 121.20 109.93 3jsm s ILE 50 Ca 0.64 -1.94 0.00 0.00 -0.26 0.00 0.00 60.65 59.09 3jsm s ILE 50 Cb -0.74 -2.18 0.00 0.00 1.25 0.00 0.00 42.46 40.79 3jsm s ILE 50 CO 0.57 -0.32 0.00 0.61 0.24 0.00 0.00 174.94 176.03 3jsm n GLY 51 N -0.15 3.18 0.35 6.27 0.00 -1.26 -4.26 105.19 109.31 3jsm n GLY 51 Ca -0.03 -2.15 0.10 0.00 0.00 0.00 0.00 46.02 43.94 3jsm n GLY 51 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3jsm h PRO 52 N 0.00 0.53 -0.05 1.61 0.11 -2.02 -2.55 132.00 129.63 3jsm h PRO 52 Ca 0.00 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.09 3jsm h PRO 52 Cb 0.00 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 30.99 3jsm h PRO 52 CO 0.00 0.35 0.15 1.05 -0.21 0.00 0.00 178.00 179.34 3jsm h GLU 53 N 0.55 0.00 -5.58 1.05 9.09 -2.03 -3.35 114.58 114.32 3jsm h GLU 53 Ca 0.30 0.00 -0.63 0.00 0.05 0.00 0.00 59.36 59.07 3jsm h GLU 53 Cb 0.44 0.00 -0.14 0.00 -1.65 0.00 0.00 28.75 27.40 3jsm h GLU 53 CO -0.09 0.00 0.41 1.21 0.05 0.00 0.00 179.01 180.59 3jsm s ASN 54 N -5.21 6.30 0.00 3.06 3.84 -0.96 -4.94 114.94 117.03 3jsm s ASN 54 Ca -0.04 -0.54 0.11 0.00 0.21 0.00 0.00 52.86 52.60 3jsm s ASN 54 Cb 0.13 -2.39 0.67 0.00 -0.55 0.00 0.00 41.25 39.10 3jsm s ASN 54 CO 0.42 -1.13 1.41 -0.81 -2.79 0.00 0.00 177.10 174.20 3jsm n PRO 55 N 7.08 0.97 -3.93 0.43 -0.04 -1.26 -4.87 135.00 133.39 3jsm n PRO 55 Ca -0.01 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.14 3jsm n PRO 55 Cb 0.47 -1.18 -0.04 0.00 -0.04 0.00 0.00 33.50 32.70 3jsm n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3jsm s TYR 56 N -2.00 3.51 0.03 0.54 2.02 -1.26 -4.76 117.35 115.43 3jsm s TYR 56 Ca 0.17 0.25 -0.22 0.00 -0.37 0.00 0.00 57.07 56.91 3jsm s TYR 56 Cb 0.08 -1.76 0.05 0.00 -0.40 0.00 0.00 41.96 39.92 3jsm s TYR 56 CO 0.13 0.59 0.49 1.21 -1.57 0.00 0.00 175.55 176.41 3jsm s ASN 57 N -2.43 -0.40 0.00 2.29 2.47 0.14 -4.56 114.94 112.44 3jsm s ASN 57 Ca 0.34 0.18 -0.01 0.00 0.42 0.00 0.00 52.86 53.78 3jsm s ASN 57 Cb -0.13 0.47 -0.01 0.00 -1.45 0.00 0.00 41.25 40.13 3jsm s ASN 57 CO 0.27 -0.68 0.01 -0.89 -3.72 0.00 0.00 177.10 172.09 3jsm s THR 58 N -2.26 0.04 0.59 -5.21 2.01 0.15 -1.88 115.64 109.09 3jsm s THR 58 Ca -0.06 -0.36 -0.14 0.00 0.31 0.00 0.00 61.69 61.44 3jsm s THR 58 Cb -0.01 -0.14 -0.04 0.00 0.01 0.00 0.00 72.50 72.32 3jsm s THR 58 CO -0.00 -0.20 1.03 -2.84 -0.69 0.00 0.00 174.62 171.91 3jsm s PRO 59 N -0.59 3.53 0.06 4.92 0.02 -1.26 -3.88 135.00 137.79 3jsm s PRO 59 Ca -0.07 0.95 -0.20 0.00 0.02 0.00 0.00 61.00 61.71 3jsm s PRO 59 Cb -0.04 -2.07 0.04 0.00 0.02 0.00 0.00 34.50 32.45 3jsm s PRO 59 CO -0.00 -0.63 0.47 0.14 -0.33 0.00 0.00 177.00 176.65 3jsm s VAL 60 N -2.82 0.04 0.04 3.83 -7.23 -1.26 -2.43 120.40 110.57 3jsm s VAL 60 Ca 0.59 -0.35 -0.05 0.00 -1.81 0.00 0.00 61.98 60.35 3jsm s VAL 60 Cb -0.12 -0.99 0.02 0.00 0.56 0.00 0.00 36.38 35.84 3jsm s VAL 60 CO 0.43 -0.20 0.24 2.22 -0.31 0.00 0.00 175.10 177.49 3jsm n PHE 61 N 0.33 -0.71 -4.35 2.82 -1.74 -0.41 -4.91 117.46 108.49 3jsm n PHE 61 Ca -0.18 -0.28 -0.18 0.00 -0.56 0.00 0.00 57.45 56.25 3jsm n PHE 61 Cb 0.61 0.14 -0.10 0.00 1.52 0.00 0.00 39.48 41.64 3jsm n PHE 61 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3jsm s ALA 62 N -1.24 1.89 -0.13 1.98 0.00 -1.26 0.40 121.76 123.41 3jsm s ALA 62 Ca 0.05 -1.90 -0.24 0.00 0.00 0.00 0.00 51.96 49.87 3jsm s ALA 62 Cb -0.01 0.97 0.06 0.00 0.00 0.00 0.00 23.12 24.14 3jsm s ALA 62 CO 0.01 -0.43 0.60 0.96 0.00 0.00 0.00 175.76 176.91 3jsm s ILE 63 N -3.64 0.01 0.74 0.00 -4.36 -1.03 -4.94 121.20 107.97 3jsm s ILE 63 Ca 0.37 -0.07 -0.09 0.00 -0.26 0.00 0.00 60.65 60.61 3jsm s ILE 63 Cb 0.08 -0.88 0.06 0.00 1.25 0.00 0.00 42.46 42.97 3jsm s ILE 63 CO 0.14 -0.04 1.08 -0.75 0.24 0.00 0.00 174.94 175.62 3jsm s LYS 64 N -0.50 2.20 -0.21 0.37 2.20 -1.26 -2.33 119.74 120.20 3jsm s LYS 64 Ca -0.06 -0.04 -0.12 0.00 -0.36 0.00 0.00 55.97 55.40 3jsm s LYS 64 Cb -0.03 -2.08 0.07 0.00 -1.51 0.00 0.00 37.83 34.29 3jsm s LYS 64 CO 0.05 -1.34 0.51 0.21 -0.36 0.00 0.00 175.35 174.42 3jsm s LYS 65 N -5.37 0.50 -1.31 4.03 2.20 -1.26 -4.86 119.74 113.67 3jsm s LYS 65 Ca 0.60 0.96 -0.13 0.00 -0.36 0.00 0.00 55.97 57.04 3jsm s LYS 65 Cb -0.11 0.05 0.01 0.00 -1.51 0.00 0.00 37.83 36.27 3jsm s LYS 65 CO 0.47 -0.16 0.53 0.36 -0.36 0.00 0.00 175.35 176.19 3jsm n LYS 66 N 4.33 -1.85 -4.24 4.03 -0.00 -1.26 -1.56 118.16 117.61 3jsm n LYS 66 Ca -0.22 0.32 -0.35 0.00 -0.00 0.00 0.00 58.31 58.06 3jsm n LYS 66 Cb 0.56 -3.94 -0.08 0.00 -0.00 0.00 0.00 35.03 31.58 3jsm n LYS 66 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 3jsm n ASP 67 N -2.73 -0.75 -0.00 -5.58 2.03 -1.26 -4.71 116.55 103.55 3jsm n ASP 67 Ca -0.21 -1.15 0.07 0.00 0.52 0.00 0.00 54.79 54.02 3jsm n ASP 67 Cb 0.64 -1.46 -0.09 0.00 -0.72 0.00 0.00 41.12 39.49 3jsm n ASP 67 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 3jsm n SER 68 N -2.33 0.95 -4.15 1.67 3.41 -0.60 -4.99 113.62 107.58 3jsm n SER 68 Ca -0.04 -0.59 -0.32 0.00 -0.26 0.00 0.00 58.87 57.66 3jsm n SER 68 Cb 0.49 1.20 -0.03 0.00 -0.26 0.00 0.00 64.21 65.61 3jsm n SER 68 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3jsm n THR 69 N -1.54 -1.72 -3.96 6.66 -2.24 -1.26 -4.94 114.28 105.29 3jsm n THR 69 Ca 0.01 -0.23 -0.31 0.00 -2.27 0.00 0.00 64.05 61.26 3jsm n THR 69 Cb 0.27 -1.93 -0.15 0.00 -2.10 0.00 0.00 70.33 66.42 3jsm n THR 69 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3jsm s LYS 70 N -6.85 1.64 0.55 -0.78 -0.14 -1.26 -5.03 119.74 107.87 3jsm s LYS 70 Ca 0.41 -1.22 -0.20 0.00 -1.36 0.00 0.00 55.97 53.60 3jsm s LYS 70 Cb -0.23 -2.70 -0.05 0.00 -1.68 0.00 0.00 37.83 33.17 3jsm s LYS 70 CO 0.92 -0.69 1.21 -1.58 -0.76 0.00 0.00 175.35 174.46 3jsm s TRP 71 N 1.27 2.52 -0.04 3.18 0.52 -1.26 -4.15 118.94 120.98 3jsm s TRP 71 Ca -0.02 1.50 -0.02 0.00 0.02 0.00 0.00 56.10 57.58 3jsm s TRP 71 Cb -0.19 -3.48 0.03 0.00 -1.15 0.00 0.00 33.47 28.68 3jsm s TRP 71 CO -0.08 -2.07 0.07 0.50 0.02 0.00 0.00 176.95 175.39 3jsm s ARG 72 N -3.12 -0.04 1.05 4.98 3.52 -0.99 -4.95 118.95 119.40 3jsm s ARG 72 Ca 0.73 0.34 -0.13 0.00 -0.13 0.00 0.00 55.73 56.54 3jsm s ARG 72 Cb -0.31 -0.38 0.18 0.00 -1.56 0.00 0.00 34.95 32.89 3jsm s ARG 72 CO 0.35 -0.27 0.82 1.17 -0.81 0.00 0.00 175.30 176.56 3jsm n LYS 73 N 4.89 -1.37 -3.64 5.12 4.81 -1.26 -2.48 118.16 124.23 3jsm n LYS 73 Ca -0.13 -0.36 -0.11 0.00 -0.87 0.00 0.00 58.31 56.85 3jsm n LYS 73 Cb 0.50 -2.12 -0.07 0.00 0.02 0.00 0.00 35.03 33.36 3jsm n LYS 73 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 3jsm s LEU 74 N -5.22 -0.55 -0.05 3.14 2.96 0.16 -4.85 118.68 114.28 3jsm s LEU 74 Ca 0.64 1.06 0.03 0.00 -0.22 0.00 0.00 54.13 55.64 3jsm s LEU 74 Cb -0.22 2.07 0.00 0.00 0.50 0.00 0.00 46.19 48.54 3jsm s LEU 74 CO 0.63 -0.18 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.65 3jsm s VAL 75 N 0.30 1.24 -1.35 1.68 1.01 -1.26 -1.29 120.40 120.73 3jsm s VAL 75 Ca 0.02 -0.59 -0.17 0.00 0.00 0.00 0.00 61.98 61.25 3jsm s VAL 75 Cb -0.05 -1.09 0.06 0.00 0.00 0.00 0.00 36.38 35.30 3jsm s VAL 75 CO -0.04 0.37 1.91 -0.67 0.00 0.00 0.00 175.10 176.67 3jsm n ASP 76 N 3.39 4.52 0.00 3.32 2.03 -1.02 -4.69 116.55 124.11 3jsm n ASP 76 Ca -0.20 -2.89 0.12 0.00 0.52 0.00 0.00 54.79 52.35 3jsm n ASP 76 Cb 0.53 -1.71 0.70 0.00 -0.72 0.00 0.00 41.12 39.91 3jsm n ASP 76 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3jsm n PHE 77 N 7.69 0.00 -0.38 -0.67 3.72 -1.26 -4.17 117.46 122.38 3jsm n PHE 77 Ca 0.50 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.81 3jsm n PHE 77 Cb 0.44 -0.09 -0.07 0.00 -0.94 0.00 0.00 39.48 38.81 3jsm n PHE 77 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3jsm n ARG 78 N -1.09 -0.38 0.27 -1.08 1.74 -1.26 0.15 116.66 115.01 3jsm n ARG 78 Ca 0.16 1.40 0.17 0.00 -0.77 0.00 0.00 57.85 58.82 3jsm n ARG 78 Cb 0.12 -2.06 0.91 0.00 -1.02 0.00 0.00 32.46 30.40 3jsm n ARG 78 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 3jsm h GLU 79 N 0.00 0.00 0.00 5.56 4.57 -2.00 -1.70 114.58 121.01 3jsm h GLU 79 Ca 0.18 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.31 3jsm h GLU 79 Cb 0.41 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 3jsm h GLU 79 CO -0.88 0.00 -0.58 1.25 -1.18 0.00 0.00 179.01 177.62 3jsm h LEU 80 N 0.00 0.00 -1.90 1.64 5.85 0.11 -3.27 115.31 117.74 3jsm h LEU 80 Ca 0.00 -0.12 0.47 0.00 0.84 0.00 0.00 57.88 59.07 3jsm h LEU 80 Cb 0.14 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.10 3jsm h LEU 80 CO 0.00 0.87 1.13 0.78 -0.34 0.00 0.00 178.44 180.88 3jsm h ASN 81 N -1.00 0.05 1.06 1.25 2.35 -0.35 4.85 115.58 123.79 3jsm h ASN 81 Ca -0.06 0.02 -0.12 0.00 -0.55 0.00 0.00 56.30 55.59 3jsm h ASN 81 Cb 0.61 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.98 3jsm h ASN 81 CO -0.04 -0.02 -0.55 0.11 -1.65 0.00 0.00 177.43 175.28 3jsm h LYS 82 N 0.02 0.00 0.00 0.81 1.57 -1.46 -3.31 116.57 114.20 3jsm h LYS 82 Ca 0.78 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 59.28 3jsm h LYS 82 Cb 3.03 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 35.29 3jsm h LYS 82 CO -0.07 0.55 -2.29 0.54 -0.57 0.00 0.00 179.45 177.61 3jsm n ARG 83 N -3.43 0.71 -1.98 3.15 1.74 1.46 -4.83 116.66 113.48 3jsm n ARG 83 Ca 0.00 -0.05 -0.42 0.00 -0.77 0.00 0.00 57.85 56.61 3jsm n ARG 83 Cb 0.67 -1.51 -0.03 0.00 -1.02 0.00 0.00 32.46 30.57 3jsm n ARG 83 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 3jsm s THR 84 N -2.71 3.46 1.10 0.55 -1.32 0.59 -3.00 115.64 114.30 3jsm s THR 84 Ca -0.09 0.63 -0.18 0.00 -1.21 0.00 0.00 61.69 60.84 3jsm s THR 84 Cb 0.08 -3.41 0.11 0.00 -1.51 0.00 0.00 72.50 67.77 3jsm s THR 84 CO 0.84 -0.05 0.01 1.67 -2.21 0.00 0.00 174.62 174.89 3jsm n GLN 85 N 6.84 -1.82 0.00 7.08 7.27 -1.23 -4.62 117.38 130.90 3jsm n GLN 85 Ca 0.17 -0.52 0.00 0.00 0.07 0.00 0.00 57.00 56.72 3jsm n GLN 85 Cb 0.42 -1.60 0.00 0.00 2.41 0.00 0.00 30.24 31.47 3jsm n GLN 85 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 3jsm n ASP 86 N -1.40 0.00 -0.21 1.69 8.00 -1.26 -2.81 116.55 120.56 3jsm n ASP 86 Ca 0.02 0.00 0.21 0.00 0.71 0.00 0.00 54.79 55.73 3jsm n ASP 86 Cb 0.56 0.00 0.39 0.00 -0.02 0.00 0.00 41.12 42.05 3jsm n ASP 86 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3jsm n PHE 87 N -0.71 0.76 1.00 1.24 7.35 -1.26 0.37 117.46 126.22 3jsm n PHE 87 Ca 0.00 0.77 0.11 0.00 -0.76 0.00 0.00 57.45 57.57 3jsm n PHE 87 Cb 0.00 -1.20 -0.01 0.00 0.35 0.00 0.00 39.48 38.62 3jsm n PHE 87 CO 0.00 0.00 0.00 -2.67 -0.76 0.00 0.00 176.76 173.33 3jsm n TRP 88 N -4.47 0.00 0.00 -5.13 4.27 -1.12 -3.14 117.44 107.84 3jsm n TRP 88 Ca 0.25 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.86 3jsm n TRP 88 Cb 0.85 -0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.79 3jsm n TRP 88 CO 0.00 0.00 0.00 -1.91 -2.29 0.00 0.00 177.69 173.49 3jsm n GLU 89 N -0.13 0.00 0.26 -2.67 4.07 1.18 -3.88 120.64 119.47 3jsm n GLU 89 Ca 0.09 0.00 0.13 0.00 -0.06 0.00 0.00 57.16 57.32 3jsm n GLU 89 Cb 0.46 -0.06 0.67 0.00 -0.06 0.00 0.00 31.44 32.45 3jsm n GLU 89 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 3jsm h VAL 90 N 0.00 0.50 0.00 6.31 2.07 -1.58 -3.03 116.25 120.52 3jsm h VAL 90 Ca 0.00 -0.67 -0.12 0.00 0.82 0.00 0.00 66.70 66.73 3jsm h VAL 90 Cb 0.00 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 3jsm h VAL 90 CO 0.00 0.13 -1.76 1.67 0.02 0.00 0.00 177.57 177.64 3jsm n GLN 91 N -3.51 1.22 -3.13 1.57 7.27 -1.17 -4.82 117.38 114.81 3jsm n GLN 91 Ca -0.01 -0.06 -0.17 0.00 0.07 0.00 0.00 57.00 56.83 3jsm n GLN 91 Cb 0.29 -1.33 -0.01 0.00 2.41 0.00 0.00 30.24 31.60 3jsm n GLN 91 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 3jsm n LEU 92 N -2.24 0.44 0.00 1.69 4.77 -1.19 -5.02 117.00 115.46 3jsm n LEU 92 Ca -0.12 -4.83 -0.09 0.00 -0.03 0.00 0.00 56.01 50.94 3jsm n LEU 92 Cb 0.65 0.74 0.08 0.00 -2.33 0.00 0.00 43.42 42.56 3jsm n LEU 92 CO 0.28 2.26 0.17 0.61 -1.33 0.00 0.00 177.39 179.37 3jsm n GLY 93 N 0.28 -2.76 2.67 -0.72 0.00 -1.14 -4.50 105.19 99.02 3jsm n GLY 93 Ca 0.22 -1.42 -0.23 0.00 0.00 0.00 0.00 46.02 44.59 3jsm n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jsm s ILE 94 N -1.54 0.02 0.00 -0.61 1.09 -1.26 -5.05 121.20 113.85 3jsm s ILE 94 Ca 0.21 0.14 -0.30 0.00 -1.10 0.00 0.00 60.65 59.59 3jsm s ILE 94 Cb -0.02 -0.40 -0.07 0.00 -1.06 0.00 0.00 42.46 40.91 3jsm s ILE 94 CO 0.16 0.03 1.65 -2.16 -0.10 0.00 0.00 174.94 174.52 3jsm s PRO 95 N 2.11 4.19 -0.52 2.79 0.04 -1.26 -4.90 135.00 137.45 3jsm s PRO 95 Ca 0.04 2.24 -0.33 0.00 0.04 0.00 0.00 61.00 62.99 3jsm s PRO 95 Cb -0.14 -3.82 -0.13 0.00 0.04 0.00 0.00 34.50 30.46 3jsm s PRO 95 CO -0.05 -0.79 2.34 -2.39 0.04 0.00 0.00 177.00 176.15 3jsm n HIS 96 N 6.44 1.33 -1.30 0.56 1.44 -1.26 -4.83 115.22 117.61 3jsm n HIS 96 Ca 0.16 0.28 -0.22 0.00 -2.01 0.00 0.00 57.72 55.94 3jsm n HIS 96 Cb 0.42 -2.51 -0.10 0.00 0.12 0.00 0.00 29.99 27.91 3jsm n HIS 96 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 3jsm n PRO 97 N 8.41 2.43 0.02 -1.40 -0.04 -1.26 -4.74 135.00 138.42 3jsm n PRO 97 Ca 0.46 -1.83 0.00 0.00 -0.04 0.00 0.00 63.50 62.09 3jsm n PRO 97 Cb 0.25 -2.15 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 3jsm n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3jsm n ALA 98 N 1.77 0.00 0.31 0.55 0.00 -1.26 -0.52 120.51 121.36 3jsm n ALA 98 Ca 0.49 0.00 0.20 0.00 0.00 0.00 0.00 53.44 54.13 3jsm n ALA 98 Cb 0.67 0.00 1.01 0.00 0.00 0.00 0.00 19.45 21.13 3jsm n ALA 98 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3jsm h GLY 99 N 0.00 0.00 0.57 0.00 0.00 -1.94 -2.96 103.07 98.74 3jsm h GLY 99 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3jsm h GLY 99 CO 0.00 0.00 -0.01 1.41 0.00 0.00 0.00 176.54 177.94 3jsm h LEU 100 N 0.00 -0.03 -0.70 3.11 3.38 -1.10 -3.23 115.31 116.74 3jsm h LEU 100 Ca 0.00 -0.41 0.14 0.00 0.09 0.00 0.00 57.88 57.70 3jsm h LEU 100 Cb 0.16 0.01 -0.13 0.00 0.09 0.00 0.00 40.66 40.79 3jsm h LEU 100 CO 0.00 0.40 -0.17 0.29 0.09 0.00 0.00 178.44 179.05 3jsm n LYS 101 N -4.90 -0.06 0.18 1.13 5.02 -1.12 0.12 118.16 118.53 3jsm n LYS 101 Ca -0.08 1.09 0.06 0.00 -2.02 0.00 0.00 58.31 57.35 3jsm n LYS 101 Cb 0.23 -1.62 0.23 0.00 -0.02 0.00 0.00 35.03 33.84 3jsm n LYS 101 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3jsm h LYS 102 N 0.00 0.00 -5.90 1.97 1.57 -1.74 -3.33 116.57 109.15 3jsm h LYS 102 Ca 0.33 0.00 -0.80 0.00 -1.87 0.00 0.00 60.65 58.31 3jsm h LYS 102 Cb 0.51 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.86 3jsm h LYS 102 CO -0.72 0.36 0.23 1.63 -0.57 0.00 0.00 179.45 180.38 3jsm n LYS 103 N -3.32 0.00 0.10 3.15 4.76 0.12 -4.86 118.16 118.10 3jsm n LYS 103 Ca 0.01 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.32 3jsm n LYS 103 Cb 0.58 -1.47 -0.08 0.00 -1.84 0.00 0.00 35.03 32.22 3jsm n LYS 103 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 3jsm h LYS 104 N 3.49 -0.18 -3.24 1.97 1.79 -1.56 -3.42 116.57 115.42 3jsm h LYS 104 Ca -0.48 0.01 -0.51 0.00 -2.18 0.00 0.00 60.65 57.49 3jsm h LYS 104 Cb 1.39 0.04 -0.40 0.00 -1.58 0.00 0.00 32.23 31.68 3jsm h LYS 104 CO 0.73 -0.03 -0.76 -1.12 -1.08 0.00 0.00 179.45 177.19 3jsm s SER 105 N -5.13 2.98 0.33 0.86 0.01 -1.20 -4.56 113.70 106.99 3jsm s SER 105 Ca -0.14 -0.94 0.01 0.00 1.31 0.00 0.00 55.95 56.19 3jsm s SER 105 Cb 0.04 -0.47 -0.03 0.00 0.21 0.00 0.00 66.02 65.78 3jsm s SER 105 CO 0.64 -0.36 0.52 -0.69 0.41 0.00 0.00 173.24 173.76 3jsm s VAL 106 N 1.97 5.13 -0.07 3.43 1.01 0.10 -2.77 120.40 129.20 3jsm s VAL 106 Ca 0.03 -0.53 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 3jsm s VAL 106 Cb -0.17 -3.86 0.04 0.00 0.00 0.00 0.00 36.38 32.40 3jsm s VAL 106 CO -0.16 -0.52 0.14 -0.89 0.00 0.00 0.00 175.10 173.68 3jsm s THR 107 N -2.26 -0.12 -0.04 3.92 2.01 -1.08 -1.50 115.64 116.57 3jsm s THR 107 Ca 0.39 0.24 -0.17 0.00 0.31 0.00 0.00 61.69 62.47 3jsm s THR 107 Cb -0.10 -0.25 -0.05 0.00 0.01 0.00 0.00 72.50 72.11 3jsm s THR 107 CO 0.35 0.10 0.46 -0.69 -0.69 0.00 0.00 174.62 174.15 3jsm s VAL 108 N 1.55 5.06 -0.03 3.82 1.01 -1.26 -2.19 120.40 128.36 3jsm s VAL 108 Ca -0.05 0.94 -0.01 0.00 0.00 0.00 0.00 61.98 62.86 3jsm s VAL 108 Cb -0.12 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.51 3jsm s VAL 108 CO -0.06 0.46 0.06 -0.22 0.00 0.00 0.00 175.10 175.34 3jsm s LEU 109 N -0.32 0.68 -0.16 3.92 2.96 -0.81 -4.99 118.68 119.96 3jsm s LEU 109 Ca 0.25 0.09 -0.25 0.00 -0.22 0.00 0.00 54.13 54.00 3jsm s LEU 109 Cb -0.16 -0.04 -0.02 0.00 0.50 0.00 0.00 46.19 46.47 3jsm s LEU 109 CO 0.13 -0.18 0.82 -0.62 -1.32 0.00 0.00 176.35 175.18 3jsm s ASP 110 N 1.50 6.96 -0.00 3.68 -1.08 -1.26 -0.35 116.67 126.11 3jsm s ASP 110 Ca -0.04 1.18 0.01 0.00 -0.52 0.00 0.00 52.55 53.18 3jsm s ASP 110 Cb -0.13 -2.45 -0.02 0.00 -1.46 0.00 0.00 42.92 38.87 3jsm s ASP 110 CO -0.03 -0.38 0.02 1.33 0.52 0.00 0.00 175.17 176.63 3jsm n VAL 111 N 4.67 0.01 0.20 1.11 0.24 -0.89 -4.64 118.33 119.03 3jsm n VAL 111 Ca 0.04 -0.02 0.04 0.00 -2.04 0.00 0.00 64.34 62.35 3jsm n VAL 111 Cb 0.49 0.30 0.06 0.00 -1.47 0.00 0.00 33.84 33.22 3jsm n VAL 111 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3jsm n GLY 112 N 2.50 -0.45 0.00 7.63 0.00 -1.04 -0.62 105.19 113.22 3jsm n GLY 112 Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3jsm n GLY 112 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3jsm n ASP 113 N -2.27 0.00 -0.09 1.61 2.03 -1.26 0.15 116.55 116.72 3jsm n ASP 113 Ca 0.03 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.23 3jsm n ASP 113 Cb 0.89 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 41.18 3jsm n ASP 113 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3jsm n ALA 114 N -0.78 1.58 0.06 -1.67 0.00 0.21 -4.42 120.51 115.49 3jsm n ALA 114 Ca 0.00 -0.99 0.20 0.00 0.00 0.00 0.00 53.44 52.66 3jsm n ALA 114 Cb 0.00 -0.04 0.62 0.00 0.00 0.00 0.00 19.45 20.02 3jsm n ALA 114 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3jsm h TYR 115 N 0.00 0.00 0.00 0.00 0.05 -0.52 0.82 116.97 117.32 3jsm h TYR 115 Ca -0.45 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.33 3jsm h TYR 115 Cb 1.88 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.62 3jsm h TYR 115 CO 0.01 0.00 0.00 1.19 -1.05 0.00 0.00 178.16 178.31 3jsm n PHE 116 N -3.36 0.00 -0.86 4.88 3.72 -1.26 -1.41 117.46 119.18 3jsm n PHE 116 Ca 0.10 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.58 3jsm n PHE 116 Cb 0.87 -0.00 0.11 0.00 -0.94 0.00 0.00 39.48 39.52 3jsm n PHE 116 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3jsm n SER 117 N -0.44 2.22 -3.65 4.37 7.64 0.28 -4.84 113.62 119.21 3jsm n SER 117 Ca 0.00 -2.83 -0.27 0.00 1.01 0.00 0.00 58.87 56.78 3jsm n SER 117 Cb 0.00 -0.33 -0.10 0.00 -1.01 0.00 0.00 64.21 62.77 3jsm n SER 117 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3jsm n VAL 118 N -1.21 0.93 -0.48 0.44 0.31 -0.50 -5.04 118.33 112.79 3jsm n VAL 118 Ca 0.12 -4.53 -0.19 0.00 -0.01 0.00 0.00 64.34 59.73 3jsm n VAL 118 Cb 0.56 -2.03 -0.03 0.00 -0.91 0.00 0.00 33.84 31.43 3jsm n VAL 118 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3jsm n PRO 119 N 1.93 0.00 -3.45 5.55 -0.02 -1.26 -3.54 135.00 134.21 3jsm n PRO 119 Ca 0.24 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.35 3jsm n PRO 119 Cb 0.40 -0.42 -0.06 0.00 -0.02 0.00 0.00 33.50 33.40 3jsm n PRO 119 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3jsm s LEU 120 N 0.67 4.43 -0.40 2.45 2.96 0.73 -4.51 118.68 125.02 3jsm s LEU 120 Ca 0.29 1.01 -0.44 0.00 -0.22 0.00 0.00 54.13 54.77 3jsm s LEU 120 Cb -0.41 -2.87 -0.18 0.00 0.50 0.00 0.00 46.19 43.23 3jsm s LEU 120 CO 0.22 0.24 1.68 -0.67 -1.32 0.00 0.00 176.35 176.49 3jsm n ASP 121 N 1.39 1.77 -0.20 3.68 2.03 -1.26 -4.81 116.55 119.16 3jsm n ASP 121 Ca -0.10 1.12 -0.05 0.00 0.52 0.00 0.00 54.79 56.28 3jsm n ASP 121 Cb 0.52 -1.01 0.05 0.00 -0.72 0.00 0.00 41.12 39.96 3jsm n ASP 121 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3jsm h GLU 122 N 6.16 0.68 0.00 -0.67 4.22 -1.92 -1.77 114.58 121.28 3jsm h GLU 122 Ca -0.45 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 58.95 3jsm h GLU 122 Cb 1.35 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3jsm h GLU 122 CO 0.97 0.45 0.00 -3.47 -2.18 0.00 0.00 179.01 174.78 3jsm n ASP 123 N -4.75 0.00 -0.05 1.04 -0.08 -1.26 -2.39 116.55 109.06 3jsm n ASP 123 Ca 0.05 0.31 -0.05 0.00 -1.51 0.00 0.00 54.79 53.59 3jsm n ASP 123 Cb 0.07 -0.35 -0.07 0.00 2.34 0.00 0.00 41.12 43.12 3jsm n ASP 123 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 3jsm n PHE 124 N -1.35 0.00 -0.32 -0.67 7.35 -0.73 -4.66 117.46 117.09 3jsm n PHE 124 Ca 0.01 0.00 0.24 0.00 -0.76 0.00 0.00 57.45 56.94 3jsm n PHE 124 Cb 0.03 -0.45 0.45 0.00 0.35 0.00 0.00 39.48 39.86 3jsm n PHE 124 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3jsm n ARG 125 N -2.45 -0.07 0.00 -4.13 1.74 -0.80 -0.18 116.66 110.77 3jsm n ARG 125 Ca -0.16 1.37 0.00 0.00 -0.77 0.00 0.00 57.85 58.29 3jsm n ARG 125 Cb 0.78 -2.33 0.00 0.00 -1.02 0.00 0.00 32.46 29.89 3jsm n ARG 125 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 3jsm n LYS 126 N -5.27 0.00 -0.06 5.56 2.85 -1.26 0.28 118.16 120.27 3jsm n LYS 126 Ca 0.31 0.13 -0.01 0.00 -1.05 0.00 0.00 58.31 57.69 3jsm n LYS 126 Cb 1.03 -1.58 -0.15 0.00 -0.65 0.00 0.00 35.03 33.68 3jsm n LYS 126 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3jsm n TYR 127 N -1.02 0.00 0.83 5.58 4.01 0.74 -4.38 117.16 122.91 3jsm n TYR 127 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3jsm n TYR 127 Cb 0.08 -0.74 0.00 0.00 -0.31 0.00 0.00 39.34 38.37 3jsm n TYR 127 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3jsm n THR 128 N -2.50 0.20 -2.21 -0.72 -2.24 0.14 -4.70 114.28 102.25 3jsm n THR 128 Ca -0.19 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.17 3jsm n THR 128 Cb 0.87 -0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 68.54 3jsm n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3jsm s ALA 129 N -0.72 3.56 0.01 6.98 0.00 -1.26 -4.35 121.76 125.99 3jsm s ALA 129 Ca 0.00 1.08 -0.04 0.00 0.00 0.00 0.00 51.96 53.00 3jsm s ALA 129 Cb 0.00 -3.52 -0.01 0.00 0.00 0.00 0.00 23.12 19.59 3jsm s ALA 129 CO 0.00 -0.58 0.06 -0.59 0.00 0.00 0.00 175.76 174.65 3jsm s PHE 130 N 1.04 0.16 -0.09 0.00 -0.71 -1.17 -0.67 117.98 116.53 3jsm s PHE 130 Ca 0.63 -0.35 0.03 0.00 -1.04 0.00 0.00 56.93 56.20 3jsm s PHE 130 Cb -0.36 -0.12 0.01 0.00 -1.21 0.00 0.00 43.02 41.34 3jsm s PHE 130 CO 0.30 -0.26 -0.18 0.99 -1.34 0.00 0.00 175.22 174.74 3jsm s THR 131 N -1.58 1.64 -0.02 -4.49 2.01 -1.25 -2.25 115.64 109.69 3jsm s THR 131 Ca -0.14 -0.76 -0.17 0.00 0.31 0.00 0.00 61.69 60.93 3jsm s THR 131 Cb -0.08 -1.45 -0.05 0.00 0.01 0.00 0.00 72.50 70.93 3jsm s THR 131 CO -0.00 0.47 0.46 -0.63 -0.69 0.00 0.00 174.62 174.23 3jsm s ILE 132 N 0.57 5.02 0.29 1.82 1.01 -0.41 -4.79 121.20 124.71 3jsm s ILE 132 Ca -0.15 0.95 0.05 0.00 0.00 0.00 0.00 60.65 61.50 3jsm s ILE 132 Cb -0.17 -3.78 0.05 0.00 0.01 0.00 0.00 42.46 38.57 3jsm s ILE 132 CO 0.05 0.50 0.38 -0.81 0.00 0.00 0.00 174.94 175.05 3jsm n PRO 133 N 2.38 0.84 -4.69 2.79 -0.04 -1.26 -1.82 135.00 133.20 3jsm n PRO 133 Ca -0.11 -1.61 -0.27 0.00 -0.04 0.00 0.00 63.50 61.47 3jsm n PRO 133 Cb 0.52 -0.08 -0.14 0.00 -0.04 0.00 0.00 33.50 33.76 3jsm n PRO 133 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 3jsm s SER 134 N -2.79 2.83 0.02 3.54 0.01 -1.26 -4.95 113.70 111.09 3jsm s SER 134 Ca 0.29 -0.58 -0.30 0.00 1.31 0.00 0.00 55.95 56.66 3jsm s SER 134 Cb -0.02 -0.23 -0.06 0.00 0.21 0.00 0.00 66.02 65.91 3jsm s SER 134 CO 0.18 0.19 1.44 0.27 0.41 0.00 0.00 173.24 175.73 3jsm s ILE 135 N -0.86 3.58 0.00 1.44 -4.36 -1.26 -1.74 121.20 118.01 3jsm s ILE 135 Ca 0.10 0.99 0.00 0.00 -0.26 0.00 0.00 60.65 61.47 3jsm s ILE 135 Cb -0.09 -3.63 0.00 0.00 1.25 0.00 0.00 42.46 39.98 3jsm s ILE 135 CO 0.02 0.00 0.00 -3.20 0.24 0.00 0.00 174.94 172.01 3jsm n ASN 136 N 5.32 -4.56 -3.20 4.36 5.15 -1.26 -3.39 115.26 117.69 3jsm n ASN 136 Ca 0.13 0.00 -0.15 0.00 -0.60 0.00 0.00 54.58 53.96 3jsm n ASN 136 Cb 0.43 -2.18 0.08 0.00 -0.53 0.00 0.00 39.78 37.58 3jsm n ASN 136 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3jsm n ASN 137 N -0.55 -3.15 0.11 1.20 5.03 -0.71 -4.93 115.26 112.26 3jsm n ASN 137 Ca 0.00 -0.59 -0.02 0.00 0.87 0.00 0.00 54.58 54.84 3jsm n ASN 137 Cb 0.28 -4.78 0.04 0.00 -1.02 0.00 0.00 39.78 34.30 3jsm n ASN 137 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 3jsm h GLU 138 N -1.55 0.00 -4.14 3.52 4.81 -1.76 -3.46 114.58 112.00 3jsm h GLU 138 Ca -0.55 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 58.56 3jsm h GLU 138 Cb 1.31 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.52 3jsm h GLU 138 CO 0.45 0.72 -0.66 -0.08 -0.73 0.00 0.00 179.01 178.71 3jsm s THR 139 N -3.10 0.19 1.10 0.32 -1.32 -1.26 -5.12 115.64 106.45 3jsm s THR 139 Ca 0.01 -1.56 -0.14 0.00 -1.21 0.00 0.00 61.69 58.79 3jsm s THR 139 Cb 0.10 -1.23 0.24 0.00 -1.51 0.00 0.00 72.50 70.10 3jsm s THR 139 CO 0.77 -0.86 1.07 -2.16 -2.21 0.00 0.00 174.62 171.23 3jsm s PRO 140 N -3.37 -0.42 -0.05 7.08 0.04 -1.26 -4.41 135.00 132.61 3jsm s PRO 140 Ca 0.02 0.48 -0.30 0.00 0.04 0.00 0.00 61.00 61.24 3jsm s PRO 140 Cb 0.04 -1.64 -0.04 0.00 0.04 0.00 0.00 34.50 32.89 3jsm s PRO 140 CO -0.08 -3.30 1.38 0.20 0.04 0.00 0.00 177.00 175.24 3jsm s GLY 141 N -3.23 1.81 -0.15 0.56 0.00 -1.26 -4.78 107.32 100.27 3jsm s GLY 141 Ca 0.67 0.77 -0.29 0.00 0.00 0.00 0.00 44.72 45.87 3jsm s GLY 141 CO 0.60 2.53 0.99 -0.42 0.00 0.00 0.00 173.10 176.80 3jsm s ILE 142 N 2.79 4.77 0.54 0.90 1.01 -0.76 -4.85 121.20 125.60 3jsm s ILE 142 Ca 0.62 1.98 0.08 0.00 0.00 0.00 0.00 60.65 63.33 3jsm s ILE 142 Cb -0.29 -4.29 0.06 0.00 0.01 0.00 0.00 42.46 37.96 3jsm s ILE 142 CO 0.24 -0.04 0.74 -0.13 0.00 0.00 0.00 174.94 175.75 3jsm s ARG 143 N 2.34 2.43 0.26 2.79 0.52 -1.26 -1.28 118.95 124.74 3jsm s ARG 143 Ca 0.46 -1.41 -0.21 0.00 -0.52 0.00 0.00 55.73 54.05 3jsm s ARG 143 Cb -0.17 -2.64 0.04 0.00 0.52 0.00 0.00 34.95 32.70 3jsm s ARG 143 CO 0.14 -0.72 0.82 0.71 0.02 0.00 0.00 175.30 176.26 3jsm s TYR 144 N -2.62 -0.11 0.15 -0.53 2.02 -0.95 -3.54 117.35 111.77 3jsm s TYR 144 Ca 0.60 -0.34 -0.09 0.00 -0.37 0.00 0.00 57.07 56.87 3jsm s TYR 144 Cb -0.07 0.71 -0.00 0.00 -0.40 0.00 0.00 41.96 42.19 3jsm s TYR 144 CO 0.38 -1.16 0.28 -0.65 -1.57 0.00 0.00 175.55 172.82 3jsm s GLN 145 N -3.40 1.11 -0.09 -0.62 -0.21 -0.83 -3.07 119.66 112.56 3jsm s GLN 145 Ca 0.13 -1.11 -0.02 0.00 0.02 0.00 0.00 55.36 54.37 3jsm s GLN 145 Cb -0.04 0.38 -0.03 0.00 1.00 0.00 0.00 33.01 34.31 3jsm s GLN 145 CO 0.06 -0.40 0.02 0.71 -2.12 0.00 0.00 175.29 173.56 3jsm s TYR 146 N -3.94 3.22 -0.08 0.91 1.51 -1.26 -1.63 117.35 116.08 3jsm s TYR 146 Ca 0.14 0.24 0.06 0.00 -1.01 0.00 0.00 57.07 56.51 3jsm s TYR 146 Cb 0.03 -1.81 -0.09 0.00 -0.11 0.00 0.00 41.96 39.98 3jsm s TYR 146 CO -0.02 0.51 0.01 0.09 -1.11 0.00 0.00 175.55 175.03 3jsm n ASN 147 N 2.10 3.06 -1.44 2.29 4.13 0.07 -4.60 115.26 120.86 3jsm n ASN 147 Ca -0.19 -0.01 0.00 0.00 1.68 0.00 0.00 54.58 56.07 3jsm n ASN 147 Cb 0.54 0.60 0.00 0.00 -1.54 0.00 0.00 39.78 39.38 3jsm n ASN 147 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 3jsm n VAL 148 N -2.35 0.00 -2.67 2.41 0.24 -1.23 0.26 118.33 114.99 3jsm n VAL 148 Ca -0.14 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.74 3jsm n VAL 148 Cb 0.75 -0.93 -0.03 0.00 -1.47 0.00 0.00 33.84 32.17 3jsm n VAL 148 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3jsm s LEU 149 N 0.00 4.27 -0.10 1.34 1.43 -1.15 -4.25 118.68 120.23 3jsm s LEU 149 Ca 0.00 1.59 -0.30 0.00 -1.03 0.00 0.00 54.13 54.39 3jsm s LEU 149 Cb 0.00 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.63 3jsm s LEU 149 CO 0.00 -0.43 1.33 -2.16 0.23 0.00 0.00 176.35 175.32 3jsm s PRO 150 N 1.84 4.26 0.86 1.29 0.04 -1.26 -4.21 135.00 137.82 3jsm s PRO 150 Ca 0.50 1.79 -0.12 0.00 0.04 0.00 0.00 61.00 63.20 3jsm s PRO 150 Cb -0.19 -3.72 0.09 0.00 0.04 0.00 0.00 34.50 30.72 3jsm s PRO 150 CO 0.20 -0.65 1.01 1.04 0.04 0.00 0.00 177.00 178.65 3jsm n GLN 151 N 6.15 -0.09 -2.25 4.56 6.02 -1.26 -3.01 117.38 127.50 3jsm n GLN 151 Ca 0.14 0.04 -0.21 0.00 -0.01 0.00 0.00 57.00 56.96 3jsm n GLN 151 Cb 0.45 -2.28 -0.03 0.00 1.02 0.00 0.00 30.24 29.40 3jsm n GLN 151 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3jsm n GLY 152 N 0.69 -0.02 3.58 1.08 0.00 -1.26 -4.77 105.19 104.49 3jsm n GLY 152 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 3jsm n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3jsm s TRP 153 N -2.99 2.67 0.01 1.61 -0.00 -1.16 -4.49 118.94 114.58 3jsm s TRP 153 Ca 0.00 -0.21 -0.25 0.00 -0.00 0.00 0.00 56.10 55.64 3jsm s TRP 153 Cb 0.00 -1.31 -0.17 0.00 -0.00 0.00 0.00 33.47 31.99 3jsm s TRP 153 CO 0.00 0.51 1.27 0.87 -0.00 0.00 0.00 176.95 179.60 3jsm h LYS 154 N 2.91 -0.35 -0.65 5.86 1.79 -1.94 -3.28 116.57 120.91 3jsm h LYS 154 Ca -0.47 0.02 -0.07 0.00 -2.18 0.00 0.00 60.65 57.96 3jsm h LYS 154 Cb 1.20 0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 31.91 3jsm h LYS 154 CO 0.55 -0.03 0.14 0.78 -1.08 0.00 0.00 179.45 179.80 3jsm h GLY 155 N -0.70 1.12 -0.97 3.86 0.00 -1.96 -3.25 103.07 101.17 3jsm h GLY 155 Ca -0.04 -0.70 0.27 0.00 0.00 0.00 0.00 47.33 46.86 3jsm h GLY 155 CO 0.06 0.65 0.03 -1.26 0.00 0.00 0.00 176.54 176.02 3jsm n SER 156 N -4.23 -0.10 0.10 0.19 2.88 -1.23 0.55 113.62 111.77 3jsm n SER 156 Ca 0.05 1.64 -0.03 0.00 -1.33 0.00 0.00 58.87 59.20 3jsm n SER 156 Cb 0.26 -0.60 -0.05 0.00 -0.75 0.00 0.00 64.21 63.07 3jsm n SER 156 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3jsm h PRO 157 N 0.00 0.00 0.44 -1.46 0.13 -1.68 -3.31 132.00 126.13 3jsm h PRO 157 Ca 0.59 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.70 3jsm h PRO 157 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3jsm h PRO 157 CO -0.91 0.77 -0.21 0.00 -0.23 0.00 0.00 178.00 177.42 3jsm h ALA 158 N 1.23 -0.95 -1.11 -0.56 0.00 0.03 -1.04 119.26 116.87 3jsm h ALA 158 Ca -0.01 -0.13 0.31 0.00 0.00 0.00 0.00 54.91 55.08 3jsm h ALA 158 Cb 1.59 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 19.54 3jsm h ALA 158 CO 0.10 -0.90 0.76 0.82 0.00 0.00 0.00 179.25 180.02 3jsm h ILE 159 N -0.71 0.46 0.01 0.00 2.04 -1.44 -1.35 117.51 116.51 3jsm h ILE 159 Ca -0.06 -0.06 -0.25 0.00 1.00 0.00 0.00 64.86 65.48 3jsm h ILE 159 Cb 0.46 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 3jsm h ILE 159 CO 0.10 0.03 -1.36 0.15 0.00 0.00 0.00 178.15 177.07 3jsm h PHE 160 N 0.18 0.03 -0.93 1.37 3.57 -1.63 -3.35 116.94 116.19 3jsm h PHE 160 Ca 0.58 -0.02 0.23 0.00 3.53 0.00 0.00 57.97 62.29 3jsm h PHE 160 Cb 1.90 -0.00 -0.06 0.00 2.79 0.00 0.00 35.95 40.57 3jsm h PHE 160 CO -0.00 1.03 0.63 0.37 -2.23 0.00 0.00 178.31 178.11 3jsm h GLN 161 N 0.01 0.27 -0.51 1.11 -0.00 0.02 0.38 115.11 116.39 3jsm h GLN 161 Ca -0.15 -0.02 0.08 0.00 -0.00 0.00 0.00 58.65 58.56 3jsm h GLN 161 Cb 1.90 -0.06 -0.06 0.00 0.00 0.00 0.00 27.48 29.25 3jsm h GLN 161 CO 0.11 0.18 0.15 0.77 0.00 0.00 0.00 178.83 180.04 3jsm h SER 162 N 0.28 0.11 -0.13 -0.69 0.02 -1.70 0.24 113.55 111.69 3jsm h SER 162 Ca 0.48 0.07 -0.18 0.00 -0.84 0.00 0.00 61.79 61.33 3jsm h SER 162 Cb 1.40 0.08 0.01 0.00 0.14 0.00 0.00 62.40 64.02 3jsm h SER 162 CO -0.14 0.09 -0.60 -1.28 -1.14 0.00 0.00 176.83 173.75 3jsm h SER 163 N 0.31 0.76 0.27 3.07 0.87 -0.65 -3.32 113.55 114.86 3jsm h SER 163 Ca 0.25 -0.63 -0.00 0.00 -1.23 0.00 0.00 61.79 60.18 3jsm h SER 163 Cb 0.30 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.01 3jsm h SER 163 CO -0.28 1.27 -0.43 -0.03 -0.53 0.00 0.00 176.83 176.82 3jsm h MET 164 N 0.31 -0.71 -0.77 2.24 -1.53 0.40 -2.24 114.93 112.62 3jsm h MET 164 Ca -0.04 0.05 0.09 0.00 -3.44 0.00 0.00 59.70 56.36 3jsm h MET 164 Cb 1.24 0.16 -0.10 0.00 -0.55 0.00 0.00 31.60 32.35 3jsm h MET 164 CO 0.13 -0.48 -0.40 0.25 0.14 0.00 0.00 176.91 176.55 3jsm n THR 165 N -4.96 -0.48 -0.05 -0.77 -2.24 0.77 0.15 114.28 106.70 3jsm n THR 165 Ca -0.09 1.85 0.08 0.00 -2.27 0.00 0.00 64.05 63.62 3jsm n THR 165 Cb 0.36 -2.34 0.45 0.00 -2.10 0.00 0.00 70.33 66.71 3jsm n THR 165 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3jsm h LYS 166 N 0.00 0.49 0.00 -0.78 1.57 -1.61 0.30 116.57 116.54 3jsm h LYS 166 Ca 0.18 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3jsm h LYS 166 Cb 0.37 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3jsm h LYS 166 CO -0.74 0.32 0.00 0.82 -0.57 0.00 0.00 179.45 179.28 3jsm h ILE 167 N 0.50 0.00 0.00 1.86 2.04 0.20 -3.19 117.51 118.92 3jsm h ILE 167 Ca 0.22 -0.43 -0.29 0.00 1.00 0.00 0.00 64.86 65.35 3jsm h ILE 167 Cb 0.22 1.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.68 3jsm h ILE 167 CO -0.06 0.00 -1.93 0.18 0.00 0.00 0.00 178.15 176.34 3jsm n LEU 168 N -3.08 0.52 -0.36 1.44 4.77 0.98 -4.50 117.00 116.76 3jsm n LEU 168 Ca 0.00 0.24 0.34 0.00 -0.03 0.00 0.00 56.01 56.56 3jsm n LEU 168 Cb 0.27 0.27 0.60 0.00 -2.33 0.00 0.00 43.42 42.24 3jsm n LEU 168 CO 0.26 0.38 1.09 -1.84 -1.33 0.00 0.00 177.39 175.95 3jsm n GLU 169 N -2.88 -0.05 0.49 3.23 0.28 -0.74 0.72 120.64 121.69 3jsm n GLU 169 Ca -0.21 1.30 -0.19 0.00 -0.16 0.00 0.00 57.16 57.90 3jsm n GLU 169 Cb 1.04 -2.42 -0.09 0.00 1.43 0.00 0.00 31.44 31.41 3jsm n GLU 169 CO 0.00 0.00 0.00 -1.35 -0.16 0.00 0.00 177.13 175.62 3jsm h PRO 170 N 0.00 -1.21 0.00 3.44 0.11 -1.81 -0.91 132.00 131.62 3jsm h PRO 170 Ca 0.84 0.08 -0.07 0.00 0.11 0.00 0.00 66.00 66.97 3jsm h PRO 170 Cb 2.39 0.27 -0.01 0.00 0.11 0.00 0.00 31.00 33.77 3jsm h PRO 170 CO -0.65 -0.81 -0.32 0.35 -0.21 0.00 0.00 178.00 176.37 3jsm h PHE 171 N -1.27 0.00 0.00 0.65 3.04 -1.71 -3.10 116.94 114.55 3jsm h PHE 171 Ca -0.13 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.82 3jsm h PHE 171 Cb 0.96 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.47 3jsm h PHE 171 CO 0.02 0.32 -0.24 -0.22 -2.02 0.00 0.00 178.31 176.16 3jsm h LYS 172 N 0.00 0.00 0.00 1.11 3.64 0.28 -3.05 116.57 118.55 3jsm h LYS 172 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3jsm h LYS 172 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3jsm h LYS 172 CO 0.04 0.00 -1.40 1.17 -2.27 0.00 0.00 179.45 176.99 3jsm n LYS 173 N -2.68 0.32 -0.41 1.90 3.00 -0.35 -3.84 118.16 116.10 3jsm n LYS 173 Ca 0.04 -0.08 0.11 0.00 -0.00 0.00 0.00 58.31 58.38 3jsm n LYS 173 Cb 0.50 -1.53 0.33 0.00 0.00 0.00 0.00 35.03 34.32 3jsm n LYS 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3jsm n GLN 174 N -1.91 2.87 -2.71 1.64 -0.00 -1.17 -4.37 117.38 111.73 3jsm n GLN 174 Ca 0.00 -2.66 -0.07 0.00 -0.00 0.00 0.00 57.00 54.27 3jsm n GLN 174 Cb 0.45 -1.62 0.11 0.00 -0.00 0.00 0.00 30.24 29.18 3jsm n GLN 174 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 3jsm n ASN 175 N 1.55 -1.84 0.30 2.61 5.03 -1.16 -5.00 115.26 116.75 3jsm n ASN 175 Ca 0.25 -2.64 0.17 0.00 0.87 0.00 0.00 54.58 53.22 3jsm n ASN 175 Cb 0.66 1.09 0.87 0.00 -1.02 0.00 0.00 39.78 41.38 3jsm n ASN 175 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.26 174.78 3jsm h PRO 176 N 2.18 0.00 -0.77 3.52 0.11 -1.76 -1.61 132.00 133.67 3jsm h PRO 176 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3jsm h PRO 176 Cb 1.27 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.34 3jsm h PRO 176 CO -0.02 0.00 0.50 0.38 -0.21 0.00 0.00 178.00 178.65 3jsm h ASP 177 N 0.00 0.89 -3.67 -2.05 2.03 -1.94 -3.42 116.42 108.26 3jsm h ASP 177 Ca 0.03 -0.03 -0.51 0.00 -0.73 0.00 0.00 57.03 55.79 3jsm h ASP 177 Cb 0.60 -0.22 0.02 0.00 -0.83 0.00 0.00 39.33 38.90 3jsm h ASP 177 CO -0.00 0.66 0.52 -0.63 -1.03 0.00 0.00 179.24 178.75 3jsm s ILE 178 N -6.10 3.48 -0.07 4.15 1.01 -0.61 -4.89 121.20 118.18 3jsm s ILE 178 Ca -0.13 1.38 -0.03 0.00 0.00 0.00 0.00 60.65 61.87 3jsm s ILE 178 Cb 0.15 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 3jsm s ILE 178 CO 0.78 0.28 0.08 -0.69 0.00 0.00 0.00 174.94 175.40 3jsm s VAL 179 N -0.68 4.90 -0.13 2.92 1.01 -0.38 -4.96 120.40 123.08 3jsm s VAL 179 Ca 0.48 -0.14 -0.01 0.00 0.00 0.00 0.00 61.98 62.31 3jsm s VAL 179 Cb -0.33 -3.15 0.03 0.00 0.00 0.00 0.00 36.38 32.93 3jsm s VAL 179 CO 0.40 0.51 -0.06 -0.63 0.00 0.00 0.00 175.10 175.32 3jsm s ILE 180 N -1.05 1.00 0.14 2.22 1.01 -1.26 -1.30 121.20 121.96 3jsm s ILE 180 Ca 0.18 -0.37 0.11 0.00 0.00 0.00 0.00 60.65 60.56 3jsm s ILE 180 Cb -0.12 -1.08 -0.04 0.00 0.01 0.00 0.00 42.46 41.23 3jsm s ILE 180 CO 0.07 0.28 -0.24 -0.47 0.00 0.00 0.00 174.94 174.59 3jsm s TYR 181 N 1.71 2.37 -0.11 3.97 5.04 -0.32 -4.98 117.35 125.03 3jsm s TYR 181 Ca 0.04 -0.34 -0.00 0.00 -2.44 0.00 0.00 57.07 54.32 3jsm s TYR 181 Cb -0.13 -1.25 0.02 0.00 0.35 0.00 0.00 41.96 40.95 3jsm s TYR 181 CO -0.08 0.39 -0.09 -1.14 -1.34 0.00 0.00 175.55 173.29 3jsm s GLN 182 N -2.24 1.63 -0.10 4.97 0.74 -1.26 -0.16 119.66 123.24 3jsm s GLN 182 Ca 0.17 -0.30 0.02 0.00 0.05 0.00 0.00 55.36 55.29 3jsm s GLN 182 Cb -0.10 -1.62 0.01 0.00 1.10 0.00 0.00 33.01 32.41 3jsm s GLN 182 CO 0.08 -0.23 -0.14 -0.47 -0.55 0.00 0.00 175.29 173.98 3jsm s TYR 183 N 1.56 1.83 0.00 1.67 5.04 0.04 -5.01 117.35 122.48 3jsm s TYR 183 Ca 0.03 -0.82 0.00 0.00 -2.44 0.00 0.00 57.07 53.83 3jsm s TYR 183 Cb -0.13 -1.33 0.00 0.00 0.35 0.00 0.00 41.96 40.85 3jsm s TYR 183 CO -0.07 -0.43 0.00 -0.12 -1.34 0.00 0.00 175.55 173.59 3jsm n MET 184 N 4.16 0.00 -0.00 4.97 1.56 -1.26 -0.44 117.12 126.11 3jsm n MET 184 Ca -0.19 0.00 0.11 0.00 -0.27 0.00 0.00 57.70 57.35 3jsm n MET 184 Cb 0.51 0.00 -0.15 0.00 2.15 0.00 0.00 33.22 35.73 3jsm n MET 184 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 3jsm n ASP 185 N 8.62 0.08 -4.89 6.12 9.92 -1.26 -4.48 116.55 130.66 3jsm n ASP 185 Ca 0.00 0.02 -0.29 0.00 -0.53 0.00 0.00 54.79 53.98 3jsm n ASP 185 Cb 0.00 1.86 -0.03 0.00 -0.64 0.00 0.00 41.12 42.31 3jsm n ASP 185 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 3jsm s ASP 186 N -4.57 6.47 -0.14 -2.24 1.01 0.41 -2.10 116.67 115.51 3jsm s ASP 186 Ca -0.07 0.94 -0.01 0.00 0.71 0.00 0.00 52.55 54.12 3jsm s ASP 186 Cb 0.14 -2.24 0.04 0.00 1.01 0.00 0.00 42.92 41.86 3jsm s ASP 186 CO 0.90 -0.32 -0.04 -0.22 0.21 0.00 0.00 175.17 175.70 3jsm s LEU 187 N -3.78 1.27 -0.09 1.23 2.96 0.52 -0.78 118.68 120.01 3jsm s LEU 187 Ca 0.48 -0.48 -0.15 0.00 -0.22 0.00 0.00 54.13 53.76 3jsm s LEU 187 Cb -0.10 -0.77 -0.05 0.00 0.50 0.00 0.00 46.19 45.76 3jsm s LEU 187 CO 0.31 -0.18 0.36 -0.31 -1.32 0.00 0.00 176.35 175.21 3jsm s TYR 188 N 1.74 3.58 -0.33 5.38 4.12 0.77 -1.92 117.35 130.69 3jsm s TYR 188 Ca 0.02 0.80 0.03 0.00 0.02 0.00 0.00 57.07 57.94 3jsm s TYR 188 Cb -0.14 -2.34 0.10 0.00 -1.52 0.00 0.00 41.96 38.06 3jsm s TYR 188 CO -0.07 0.41 0.05 0.08 0.02 0.00 0.00 175.55 176.04 3jsm s VAL 189 N -0.17 1.92 -0.14 0.71 1.01 -0.93 -1.17 120.40 121.63 3jsm s VAL 189 Ca 0.21 -2.07 -0.13 0.00 0.00 0.00 0.00 61.98 59.99 3jsm s VAL 189 Cb -0.15 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 3jsm s VAL 189 CO 0.09 -0.59 0.28 -0.83 0.00 0.00 0.00 175.10 174.05 3jsm s GLY 190 N 1.09 2.22 0.00 4.51 0.00 -0.42 -2.62 107.32 112.10 3jsm s GLY 190 Ca 0.10 -0.46 0.00 0.00 0.00 0.00 0.00 44.72 44.35 3jsm s GLY 190 CO -0.12 0.31 0.00 -1.14 0.00 0.00 0.00 173.10 172.15 3jsm n SER 191 N 3.26 0.31 0.00 1.64 3.41 -1.11 -1.25 113.62 119.87 3jsm n SER 191 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 3jsm n SER 191 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 3jsm n SER 191 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3jsm n ASP 192 N 0.00 0.00 -4.66 4.04 8.00 -1.26 -1.41 116.55 121.26 3jsm n ASP 192 Ca 0.00 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.19 3jsm n ASP 192 Cb 0.00 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 41.27 3jsm n ASP 192 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3jsm n LEU 193 N 0.00 3.05 -4.80 0.64 4.77 -1.26 -4.81 117.00 114.58 3jsm n LEU 193 Ca 0.00 0.39 -0.34 0.00 -0.03 0.00 0.00 56.01 56.03 3jsm n LEU 193 Cb 0.00 -1.47 -0.03 0.00 -2.33 0.00 0.00 43.42 39.59 3jsm n LEU 193 CO 0.00 -2.23 0.71 -0.70 -1.33 0.00 0.00 177.39 173.83 3jsm s GLU 194 N -4.62 3.80 0.45 3.23 2.56 -1.26 -4.49 118.70 118.38 3jsm s GLU 194 Ca 0.67 1.31 0.31 0.00 0.00 0.00 0.00 54.97 57.27 3jsm s GLU 194 Cb -0.23 -2.10 1.43 0.00 2.00 0.00 0.00 34.13 35.23 3jsm s GLU 194 CO 0.58 -0.42 1.64 0.97 -0.56 0.00 0.00 175.26 177.47 3jsm h ILE 195 N 1.48 0.16 -0.24 -3.70 6.09 -1.95 0.67 117.51 120.02 3jsm h ILE 195 Ca -0.49 -0.03 0.05 0.00 -1.37 0.00 0.00 64.86 63.02 3jsm h ILE 195 Cb 1.22 0.05 -0.05 0.00 0.47 0.00 0.00 36.82 38.51 3jsm h ILE 195 CO 0.59 0.02 -0.09 1.23 -3.07 0.00 0.00 178.15 176.83 3jsm h GLY 196 N 0.10 0.13 0.16 8.18 0.00 -2.00 -2.15 103.07 107.49 3jsm h GLY 196 Ca 0.80 0.11 -0.38 0.00 0.00 0.00 0.00 47.33 47.86 3jsm h GLY 196 CO -0.35 -0.12 -2.31 -1.06 0.00 0.00 0.00 176.54 172.71 3jsm n GLN 197 N -5.25 0.67 -0.29 4.80 3.00 -0.05 -3.85 117.38 116.40 3jsm n GLN 197 Ca -0.01 0.21 0.17 0.00 -0.01 0.00 0.00 57.00 57.36 3jsm n GLN 197 Cb 0.17 -1.58 0.44 0.00 0.00 0.00 0.00 30.24 29.27 3jsm n GLN 197 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 3jsm h HIS 198 N -0.13 0.76 -0.15 1.08 -0.00 0.17 0.89 115.15 117.77 3jsm h HIS 198 Ca -0.54 0.02 -0.22 0.00 -0.00 0.00 0.00 60.37 59.63 3jsm h HIS 198 Cb 1.88 -0.23 0.01 0.00 -0.00 0.00 0.00 27.41 29.07 3jsm h HIS 198 CO 0.03 0.18 -0.76 -0.09 -0.00 0.00 0.00 177.93 177.29 3jsm h ARG 199 N 0.55 0.78 0.00 5.26 2.43 -1.57 -2.95 114.38 118.89 3jsm h ARG 199 Ca 0.52 -0.64 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 3jsm h ARG 199 Cb 1.09 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 3jsm h ARG 199 CO -0.26 1.25 0.00 1.15 -1.51 0.00 0.00 179.97 180.59 3jsm h THR 200 N 0.51 0.00 0.22 0.20 2.02 -1.02 -2.40 112.91 112.43 3jsm h THR 200 Ca -0.05 -0.23 -0.32 0.00 0.77 0.00 0.00 66.41 66.57 3jsm h THR 200 Cb 1.39 1.15 0.03 0.00 -1.74 0.00 0.00 68.15 68.98 3jsm h THR 200 CO 0.16 0.00 -1.50 0.50 0.37 0.00 0.00 175.52 175.04 3jsm h LYS 201 N 0.00 0.46 -0.01 6.66 3.64 -0.88 -3.20 116.57 123.24 3jsm h LYS 201 Ca 0.00 -0.78 -0.02 0.00 -1.27 0.00 0.00 60.65 58.58 3jsm h LYS 201 Cb 0.25 0.29 -0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3jsm h LYS 201 CO 0.00 1.37 -0.07 0.82 -2.27 0.00 0.00 179.45 179.30 3jsm h ILE 202 N 0.06 1.06 0.00 2.00 1.08 -1.28 0.35 117.51 120.77 3jsm h ILE 202 Ca -0.28 -0.27 0.00 0.00 -0.39 0.00 0.00 64.86 63.92 3jsm h ILE 202 Cb 2.08 1.14 0.00 0.00 -3.07 0.00 0.00 36.82 36.96 3jsm h ILE 202 CO 0.22 0.08 0.00 -0.08 -0.69 0.00 0.00 178.15 177.68 3jsm h GLU 203 N 0.01 0.00 0.11 2.37 4.81 -1.45 -2.46 114.58 117.97 3jsm h GLU 203 Ca 0.00 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.88 3jsm h GLU 203 Cb 0.14 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 3jsm h GLU 203 CO 0.01 0.00 -1.88 0.93 -0.73 0.00 0.00 179.01 177.34 3jsm h GLU 204 N 0.00 0.24 -0.79 1.92 5.08 -0.37 -3.28 114.58 117.38 3jsm h GLU 204 Ca 0.00 -0.41 0.12 0.00 -1.00 0.00 0.00 59.36 58.07 3jsm h GLU 204 Cb 0.25 0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.60 3jsm h GLU 204 CO 0.00 1.11 0.52 1.25 -1.00 0.00 0.00 179.01 180.88 3jsm h LEU 205 N 0.07 0.57 0.71 1.33 5.85 -0.95 -2.14 115.31 120.75 3jsm h LEU 205 Ca -0.38 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.33 3jsm h LEU 205 Cb 2.04 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.98 3jsm h LEU 205 CO 0.11 0.32 -0.37 0.03 -0.34 0.00 0.00 178.44 178.19 3jsm h ARG 206 N 0.62 -0.95 -0.14 1.25 3.08 -1.59 -0.88 114.38 115.78 3jsm h ARG 206 Ca 0.38 0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.53 3jsm h ARG 206 Cb 0.61 0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 3jsm h ARG 206 CO -0.15 -0.63 0.41 1.96 -1.07 0.00 0.00 179.97 180.49 3jsm h GLN 207 N -0.98 0.00 0.01 0.04 1.08 -1.49 0.30 115.11 114.06 3jsm h GLN 207 Ca -0.10 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.10 3jsm h GLN 207 Cb 0.77 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.20 3jsm h GLN 207 CO 0.14 0.00 -0.00 1.25 -0.95 0.00 0.00 178.83 179.26 3jsm h HIS 208 N 0.00 -0.01 0.00 2.96 2.76 -1.13 -3.24 115.15 116.49 3jsm h HIS 208 Ca 0.06 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.21 3jsm h HIS 208 Cb 0.88 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.84 3jsm h HIS 208 CO 0.00 0.77 -0.12 -0.07 -1.30 0.00 0.00 177.93 177.21 3jsm h LEU 209 N -0.96 0.00 0.12 0.26 3.38 0.90 -3.17 115.31 115.84 3jsm h LEU 209 Ca -0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 3jsm h LEU 209 Cb 0.78 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 3jsm h LEU 209 CO 0.00 0.12 -1.52 0.17 0.09 0.00 0.00 178.44 177.30 3jsm h LEU 210 N 0.00 0.41 -3.26 1.67 8.10 -0.85 -1.08 115.31 120.30 3jsm h LEU 210 Ca -0.00 -0.56 -0.31 0.00 0.11 0.00 0.00 57.88 57.12 3jsm h LEU 210 Cb 0.59 -0.13 -0.16 0.00 -0.44 0.00 0.00 40.66 40.51 3jsm h LEU 210 CO 0.02 1.46 0.40 0.54 -4.11 0.00 0.00 178.44 176.75 3jsm n ARG 211 N -3.47 1.77 0.00 0.17 5.12 -1.20 -2.44 116.66 116.61 3jsm n ARG 211 Ca -0.16 -1.67 0.00 0.00 -1.93 0.00 0.00 57.85 54.09 3jsm n ARG 211 Cb 1.04 -1.65 0.00 0.00 -1.16 0.00 0.00 32.46 30.69 3jsm n ARG 211 CO 0.00 0.00 0.00 0.91 -1.93 0.00 0.00 177.63 176.61 3jsm n TRP 212 N -0.13 0.00 0.00 -1.55 7.02 -1.20 -5.01 117.44 116.57 3jsm n TRP 212 Ca 0.33 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.81 3jsm n TRP 212 Cb 0.90 0.02 0.00 0.00 -2.42 0.00 0.00 31.31 29.81 3jsm n TRP 212 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3jsm n GLY 213 N 0.00 2.21 2.93 6.99 0.00 -1.02 -5.03 105.19 111.27 3jsm n GLY 213 Ca 0.00 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 44.89 3jsm n GLY 213 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3jsm n LEU 214 N 0.00 -4.45 -3.65 0.99 4.77 -0.42 -4.78 117.00 109.46 3jsm n LEU 214 Ca 0.00 0.41 -0.14 0.00 -0.03 0.00 0.00 56.01 56.25 3jsm n LEU 214 Cb 0.00 -0.76 -0.13 0.00 -2.33 0.00 0.00 43.42 40.20 3jsm n LEU 214 CO 0.00 -5.02 -0.14 -0.89 -1.33 0.00 0.00 177.39 170.01 3jsm s THR 215 N -1.87 -0.41 -0.11 -5.08 2.01 -1.26 -3.67 115.64 105.25 3jsm s THR 215 Ca 0.46 0.26 -0.00 0.00 0.31 0.00 0.00 61.69 62.72 3jsm s THR 215 Cb -0.33 -0.45 0.02 0.00 0.01 0.00 0.00 72.50 71.75 3jsm s THR 215 CO 0.69 0.10 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.75 3jsm s THR 216 N 2.41 1.02 0.00 -0.82 2.01 -1.26 -4.72 115.64 114.28 3jsm s THR 216 Ca 0.02 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 61.73 3jsm s THR 216 Cb -0.12 -1.03 0.00 0.00 0.01 0.00 0.00 72.50 71.36 3jsm s THR 216 CO -0.09 0.36 0.02 -0.81 -0.69 0.00 0.00 174.62 173.42 3jsm n PRO 217 N 4.87 0.00 -1.76 4.92 -0.04 -1.26 -5.10 135.00 136.63 3jsm n PRO 217 Ca -0.13 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 62.95 3jsm n PRO 217 Cb 0.50 -0.38 0.05 0.00 -0.04 0.00 0.00 33.50 33.63 3jsm n PRO 217 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3jsm s GLY 231 N -0.67 2.89 0.07 0.55 0.00 -1.26 -5.00 107.32 103.90 3jsm s GLY 231 Ca 0.00 1.33 0.25 0.00 0.00 0.00 0.00 44.72 46.29 3jsm s GLY 231 CO 0.00 1.83 1.36 -1.72 0.00 0.00 0.00 173.10 174.57 3jsm n TYR 232 N -1.21 0.31 -1.38 1.90 4.02 -1.26 -4.95 117.16 114.59 3jsm n TYR 232 Ca 0.11 0.09 -0.30 0.00 -0.01 0.00 0.00 57.90 57.80 3jsm n TYR 232 Cb 0.45 -0.49 0.20 0.00 -0.02 0.00 0.00 39.34 39.49 3jsm n TYR 232 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 3jsm s GLU 233 N -3.10 -0.20 0.04 -0.72 1.03 -1.26 -4.31 118.70 110.18 3jsm s GLU 233 Ca 0.08 -0.04 -0.18 0.00 0.03 0.00 0.00 54.97 54.85 3jsm s GLU 233 Cb 0.15 -1.71 0.04 0.00 -0.80 0.00 0.00 34.13 31.81 3jsm s GLU 233 CO 0.71 -3.04 0.42 -0.51 -1.33 0.00 0.00 175.26 171.52 3jsm s LEU 234 N -6.47 0.36 -0.41 1.83 1.43 -0.57 -4.96 118.68 109.89 3jsm s LEU 234 Ca 0.70 0.02 0.06 0.00 -1.03 0.00 0.00 54.13 53.88 3jsm s LEU 234 Cb -0.10 1.78 0.32 0.00 0.03 0.00 0.00 46.19 48.21 3jsm s LEU 234 CO 0.55 -0.67 1.23 1.41 0.23 0.00 0.00 176.35 179.10 3jsm n HIS 235 N 0.50 -2.13 -0.56 0.29 8.25 -1.26 -0.72 115.22 119.59 3jsm n HIS 235 Ca -0.18 -1.71 0.44 0.00 -0.26 0.00 0.00 57.72 56.00 3jsm n HIS 235 Cb 0.60 1.52 0.70 0.00 1.12 0.00 0.00 29.99 33.92 3jsm n HIS 235 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3jsm n PRO 236 N -0.04 -0.01 0.10 -0.41 -0.02 -1.26 0.19 135.00 133.54 3jsm n PRO 236 Ca -0.02 1.06 -0.04 0.00 -2.02 0.00 0.00 63.50 62.47 3jsm n PRO 236 Cb 0.75 -2.28 0.11 0.00 -0.02 0.00 0.00 33.50 32.07 3jsm n PRO 236 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3jsm h ASP 237 N 0.00 0.18 0.00 2.55 3.58 -1.91 -3.21 116.42 117.61 3jsm h ASP 237 Ca 0.84 -0.11 -0.16 0.00 0.42 0.00 0.00 57.03 58.01 3jsm h ASP 237 Cb 3.09 -0.05 -0.06 0.00 1.72 0.00 0.00 39.33 44.03 3jsm h ASP 237 CO -0.19 0.78 -0.28 1.17 -2.88 0.00 0.00 179.24 177.84 3jsm n LYS 238 N -3.81 1.75 -3.21 0.28 4.81 0.50 -4.35 118.16 114.11 3jsm n LYS 238 Ca -0.02 -0.87 0.04 0.00 -0.87 0.00 0.00 58.31 56.59 3jsm n LYS 238 Cb 0.65 -1.92 -0.03 0.00 0.02 0.00 0.00 35.03 33.74 3jsm n LYS 238 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 3jsm s TRP 239 N 1.20 -0.27 0.77 5.64 -0.00 -1.21 -4.99 118.94 120.07 3jsm s TRP 239 Ca 0.58 0.41 -0.12 0.00 -0.00 0.00 0.00 56.10 56.97 3jsm s TRP 239 Cb 0.28 0.14 0.05 0.00 -0.00 0.00 0.00 33.47 33.94 3jsm s TRP 239 CO 0.00 -0.14 1.11 0.99 -0.00 0.00 0.00 176.95 178.91 3jsm s THR 240 N 2.43 3.10 0.09 5.86 2.01 -1.26 -4.97 115.64 122.89 3jsm s THR 240 Ca -0.02 0.36 -0.29 0.00 0.31 0.00 0.00 61.69 62.04 3jsm s THR 240 Cb -0.05 -3.22 -0.06 0.00 0.01 0.00 0.00 72.50 69.19 3jsm s THR 240 CO -0.14 -0.47 0.93 0.68 -0.69 0.00 0.00 174.62 174.94 3jsm s VAL 241 N -3.27 4.56 -0.14 3.82 -7.23 -1.26 -4.85 120.40 112.03 3jsm s VAL 241 Ca 0.60 2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 62.57 3jsm s VAL 241 Cb -0.13 -4.29 -0.03 0.00 0.56 0.00 0.00 36.38 32.49 3jsm s VAL 241 CO 0.53 0.31 0.58 -1.58 -0.31 0.00 0.00 175.10 174.63 3jsm s GLN 242 N 0.07 4.31 1.18 4.82 0.74 -1.26 -4.98 119.66 124.53 3jsm s GLN 242 Ca 0.46 0.60 -0.13 0.00 0.05 0.00 0.00 55.36 56.34 3jsm s GLN 242 Cb -0.23 -3.50 0.29 0.00 1.10 0.00 0.00 33.01 30.68 3jsm s GLN 242 CO 0.29 -0.03 1.03 -2.14 -0.55 0.00 0.00 175.29 173.88 3jsm s PRO 243 N 1.19 -1.02 -1.20 1.67 0.02 -1.26 -4.75 135.00 129.66 3jsm s PRO 243 Ca 0.29 0.86 -0.13 0.00 0.02 0.00 0.00 61.00 62.04 3jsm s PRO 243 Cb -0.16 -1.54 0.19 0.00 0.02 0.00 0.00 34.50 33.01 3jsm s PRO 243 CO 0.12 -3.79 1.42 1.51 -0.33 0.00 0.00 177.00 175.93 3jsm n ILE 244 N -4.97 4.32 -0.81 2.83 3.06 -1.26 -4.98 119.36 117.55 3jsm n ILE 244 Ca 0.03 -4.82 -0.31 0.00 -2.50 0.00 0.00 62.75 55.15 3jsm n ILE 244 Cb 0.54 -2.47 0.15 0.00 0.54 0.00 0.00 39.64 38.40 3jsm n ILE 244 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 3jsm s VAL 245 N 1.02 2.27 0.35 9.51 0.11 -1.26 -4.92 120.40 127.48 3jsm s VAL 245 Ca 0.41 0.09 0.06 0.00 -2.93 0.00 0.00 61.98 59.61 3jsm s VAL 245 Cb -0.03 -2.20 -0.07 0.00 -1.53 0.00 0.00 36.38 32.55 3jsm s VAL 245 CO -0.01 -0.11 0.01 -0.76 -3.33 0.00 0.00 175.10 170.90 3jsm s LEU 246 N -6.45 2.54 0.89 2.54 1.43 -1.26 -4.95 118.68 113.41 3jsm s LEU 246 Ca 0.66 -1.34 -0.11 0.00 -1.03 0.00 0.00 54.13 52.31 3jsm s LEU 246 Cb -0.22 -0.66 0.12 0.00 0.03 0.00 0.00 46.19 45.46 3jsm s LEU 246 CO 0.57 -0.48 1.09 -2.16 0.23 0.00 0.00 176.35 175.60 3jsm s PRO 247 N -3.78 1.33 -0.45 1.29 0.04 -1.26 -5.03 135.00 127.14 3jsm s PRO 247 Ca 0.35 0.86 0.08 0.00 0.04 0.00 0.00 61.00 62.33 3jsm s PRO 247 Cb 0.08 -1.81 0.29 0.00 0.04 0.00 0.00 34.50 33.10 3jsm s PRO 247 CO 0.16 -2.20 0.67 -1.91 0.04 0.00 0.00 177.00 173.76 3jsm n GLU 248 N -3.86 1.42 -3.45 4.56 2.13 -1.26 -5.12 120.64 115.06 3jsm n GLU 248 Ca 0.07 -3.73 -0.19 0.00 0.66 0.00 0.00 57.16 53.97 3jsm n GLU 248 Cb 0.55 -1.66 -0.02 0.00 0.27 0.00 0.00 31.44 30.58 3jsm n GLU 248 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3jsm s LYS 249 N -2.05 2.79 -0.15 5.31 1.02 -1.26 -5.05 119.74 120.35 3jsm s LYS 249 Ca 0.39 -1.29 0.15 0.00 0.02 0.00 0.00 55.97 55.24 3jsm s LYS 249 Cb 0.23 -2.60 0.40 0.00 -0.52 0.00 0.00 37.83 35.34 3jsm s LYS 249 CO -0.09 -0.09 1.19 -0.40 -0.92 0.00 0.00 175.35 175.04 3jsm n ASP 250 N -1.61 1.55 -3.38 2.83 3.85 -1.26 -4.96 116.55 113.57 3jsm n ASP 250 Ca 0.03 -3.34 0.02 0.00 -0.71 0.00 0.00 54.79 50.79 3jsm n ASP 250 Cb 0.60 -0.46 -0.04 0.00 -1.35 0.00 0.00 41.12 39.87 3jsm n ASP 250 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.20 175.75 3jsm s SER 251 N -2.85 -0.46 -0.15 -1.12 0.01 -1.26 -5.06 113.70 102.81 3jsm s SER 251 Ca 0.35 0.64 0.02 0.00 1.31 0.00 0.00 55.95 58.28 3jsm s SER 251 Cb 0.35 1.50 0.01 0.00 0.21 0.00 0.00 66.02 68.09 3jsm s SER 251 CO -0.08 -0.09 -0.21 0.26 0.41 0.00 0.00 173.24 173.53 3jsm s TRP 252 N 2.26 2.70 0.93 2.43 0.52 -1.26 -5.03 118.94 121.49 3jsm s TRP 252 Ca -0.03 -1.36 -0.15 0.00 0.02 0.00 0.00 56.10 54.59 3jsm s TRP 252 Cb -0.05 -1.84 0.17 0.00 -1.15 0.00 0.00 33.47 30.60 3jsm s TRP 252 CO -0.17 -0.63 1.29 0.95 0.02 0.00 0.00 176.95 178.41 3jsm s THR 253 N 0.90 2.00 0.08 2.01 -4.23 -1.26 -1.45 115.64 113.69 3jsm s THR 253 Ca -0.05 -0.01 -0.21 0.00 -1.18 0.00 0.00 61.69 60.25 3jsm s THR 253 Cb -0.15 -2.99 -0.10 0.00 1.34 0.00 0.00 72.50 70.59 3jsm s THR 253 CO -0.04 0.00 1.59 0.58 -0.54 0.00 0.00 174.62 176.22 3jsm h VAL 254 N -1.50 1.18 0.04 2.29 2.07 -1.24 -1.99 116.25 117.10 3jsm h VAL 254 Ca -0.45 -0.56 -0.27 0.00 0.82 0.00 0.00 66.70 66.24 3jsm h VAL 254 Cb 1.26 1.23 0.02 0.00 -1.52 0.00 0.00 31.29 32.27 3jsm h VAL 254 CO 0.44 0.17 -1.09 -0.55 0.02 0.00 0.00 177.57 176.57 3jsm h ASN 255 N 0.10 0.81 -1.15 0.57 -1.07 -1.90 -0.48 115.58 112.46 3jsm h ASN 255 Ca 0.06 -0.68 0.33 0.00 0.07 0.00 0.00 56.30 56.07 3jsm h ASN 255 Cb 0.22 -0.25 -0.10 0.00 -2.07 0.00 0.00 38.32 36.12 3jsm h ASN 255 CO -0.00 1.49 0.75 -0.78 0.07 0.00 0.00 177.43 178.95 3jsm h ASP 256 N 0.32 0.34 0.00 6.14 -0.00 -1.85 0.36 116.42 121.73 3jsm h ASP 256 Ca -0.14 0.09 -0.06 0.00 -0.00 0.00 0.00 57.03 56.93 3jsm h ASP 256 Cb 1.75 0.05 -0.01 0.00 -0.00 0.00 0.00 39.33 41.11 3jsm h ASP 256 CO 0.21 -0.01 -0.42 0.40 -0.00 0.00 0.00 179.24 179.42 3jsm h ILE 257 N 0.26 0.75 0.00 2.25 2.04 -1.27 -3.25 117.51 118.28 3jsm h ILE 257 Ca 0.66 -1.69 0.00 0.00 1.00 0.00 0.00 64.86 64.84 3jsm h ILE 257 Cb 1.93 1.54 0.00 0.00 -0.74 0.00 0.00 36.82 39.55 3jsm h ILE 257 CO -0.30 0.25 0.48 1.56 0.00 0.00 0.00 178.15 180.14 3jsm h GLN 258 N -1.00 0.00 0.00 2.37 4.20 0.81 0.13 115.11 121.62 3jsm h GLN 258 Ca -0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.62 3jsm h GLN 258 Cb 0.72 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.50 3jsm h GLN 258 CO -0.05 0.00 0.00 1.63 -0.67 0.00 0.00 178.83 179.74 3jsm n LYS 259 N -2.28 0.00 0.04 1.46 5.02 0.10 -2.24 118.16 120.27 3jsm n LYS 259 Ca -0.01 0.36 0.16 0.00 -2.02 0.00 0.00 58.31 56.79 3jsm n LYS 259 Cb 0.50 -0.85 0.28 0.00 -0.02 0.00 0.00 35.03 34.94 3jsm n LYS 259 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3jsm h LEU 260 N 0.00 0.00 0.01 -0.35 5.85 -1.18 0.13 115.31 119.77 3jsm h LEU 260 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3jsm h LEU 260 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3jsm h LEU 260 CO 0.00 0.00 -0.00 0.58 -0.34 0.00 0.00 178.44 178.68 3jsm h VAL 261 N 0.00 0.00 -0.88 1.05 2.07 -1.14 -2.59 116.25 114.76 3jsm h VAL 261 Ca 0.26 -0.07 0.24 0.00 0.82 0.00 0.00 66.70 67.95 3jsm h VAL 261 Cb 2.40 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 32.13 3jsm h VAL 261 CO -0.00 0.00 0.61 1.23 0.02 0.00 0.00 177.57 179.43 3jsm h GLY 262 N -0.08 0.30 0.63 2.17 0.00 -0.51 0.56 103.07 106.15 3jsm h GLY 262 Ca -0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 3jsm h GLY 262 CO 0.00 -0.01 -0.24 1.70 0.00 0.00 0.00 176.54 177.99 3jsm h LYS 263 N 0.13 -0.65 0.00 4.80 3.64 -0.99 -2.92 116.57 120.58 3jsm h LYS 263 Ca 0.43 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.86 3jsm h LYS 263 Cb 1.50 0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 33.47 3jsm h LYS 263 CO -0.07 -0.36 -0.01 -0.07 -2.27 0.00 0.00 179.45 176.67 3jsm h LEU 264 N -1.06 0.00 -0.09 5.20 3.38 -0.83 0.14 115.31 122.05 3jsm h LEU 264 Ca -0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3jsm h LEU 264 Cb 0.60 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 3jsm h LEU 264 CO 0.11 0.01 0.05 -1.13 0.09 0.00 0.00 178.44 177.58 3jsm h ASN 265 N 0.00 0.12 0.57 -0.43 -1.24 0.24 -2.22 115.58 112.60 3jsm h ASN 265 Ca -0.00 -0.09 -0.29 0.00 0.71 0.00 0.00 56.30 56.63 3jsm h ASN 265 Cb 0.17 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.18 3jsm h ASN 265 CO 0.00 0.18 -1.41 -0.50 -1.29 0.00 0.00 177.43 174.41 3jsm h TRP 266 N 0.05 0.37 0.00 0.67 4.06 -1.25 -3.20 115.95 116.65 3jsm h TRP 266 Ca 0.03 -0.27 0.00 0.00 2.06 0.00 0.00 58.89 60.72 3jsm h TRP 266 Cb 0.09 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 28.23 3jsm h TRP 266 CO -0.04 1.28 0.00 0.00 -3.56 0.00 0.00 178.44 176.12 3jsm n ALA 267 N -2.59 1.89 0.02 1.49 0.00 0.44 -1.74 120.51 120.01 3jsm n ALA 267 Ca -0.13 -0.01 -0.16 0.00 0.00 0.00 0.00 53.44 53.14 3jsm n ALA 267 Cb 1.03 -1.03 -0.14 0.00 0.00 0.00 0.00 19.45 19.30 3jsm n ALA 267 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3jsm h SER 268 N 0.00 0.28 0.21 0.00 4.64 -1.39 -3.34 113.55 113.96 3jsm h SER 268 Ca 0.00 -0.53 -0.00 0.00 -0.47 0.00 0.00 61.79 60.79 3jsm h SER 268 Cb 0.00 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.00 3jsm h SER 268 CO 0.00 1.47 -0.00 1.56 -0.87 0.00 0.00 176.83 178.98 3jsm h GLN 269 N 0.05 0.00 -0.01 4.77 7.50 -1.55 0.55 115.11 126.43 3jsm h GLN 269 Ca -0.32 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.83 3jsm h GLN 269 Cb 2.02 0.00 0.00 0.00 0.05 0.00 0.00 27.48 29.55 3jsm h GLN 269 CO 0.11 0.00 -0.16 1.51 -1.50 0.00 0.00 178.83 178.79 3jsm n ILE 270 N -3.12 0.00 -3.23 2.54 0.13 -1.25 -4.51 119.36 109.91 3jsm n ILE 270 Ca -0.02 -0.18 -0.02 0.00 -1.10 0.00 0.00 62.75 61.43 3jsm n ILE 270 Cb 0.12 0.44 -0.02 0.00 -0.84 0.00 0.00 39.64 39.34 3jsm n ILE 270 CO 0.00 0.00 0.00 -0.31 2.80 0.00 0.00 176.55 179.04 3jsm s TYR 271 N -2.31 -1.49 0.10 9.51 1.51 0.19 -4.68 117.35 120.17 3jsm s TYR 271 Ca 0.30 0.15 0.16 0.00 -1.01 0.00 0.00 57.07 56.66 3jsm s TYR 271 Cb 0.20 0.19 0.86 0.00 -0.11 0.00 0.00 41.96 43.10 3jsm s TYR 271 CO 0.45 -1.13 1.40 -1.00 -1.11 0.00 0.00 175.55 174.16 3jsm h PRO 272 N 7.11 0.00 -4.00 -1.71 0.13 -1.62 -3.28 132.00 128.64 3jsm h PRO 272 Ca 0.04 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.47 3jsm h PRO 272 Cb 1.16 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.95 3jsm h PRO 272 CO 0.12 0.00 -0.43 0.20 -0.23 0.00 0.00 178.00 177.66 3jsm s GLY 273 N -3.24 2.27 -0.27 1.56 0.00 -1.26 -5.00 107.32 101.38 3jsm s GLY 273 Ca -0.02 -2.92 -0.09 0.00 0.00 0.00 0.00 44.72 41.69 3jsm s GLY 273 CO 0.14 1.08 0.59 -1.50 0.00 0.00 0.00 173.10 173.41 3jsm s ILE 274 N 0.53 -0.91 0.35 0.90 2.07 -1.24 -5.01 121.20 117.89 3jsm s ILE 274 Ca 0.13 0.04 -0.28 0.00 -1.41 0.00 0.00 60.65 59.12 3jsm s ILE 274 Cb -0.22 -0.92 -0.10 0.00 0.13 0.00 0.00 42.46 41.35 3jsm s ILE 274 CO -0.04 0.02 1.36 -0.54 -1.91 0.00 0.00 174.94 173.83 3jsm s LYS 275 N 2.82 4.27 0.00 3.50 -0.14 -1.26 -5.01 119.74 123.94 3jsm s LYS 275 Ca -0.04 2.31 -0.00 0.00 -1.36 0.00 0.00 55.97 56.88 3jsm s LYS 275 Cb -0.12 -3.03 -0.00 0.00 -1.68 0.00 0.00 37.83 33.00 3jsm s LYS 275 CO -0.17 -0.29 -0.01 1.55 -0.76 0.00 0.00 175.35 175.66 3jsm n VAL 276 N 0.68 0.14 -0.30 3.17 3.14 -1.26 -4.91 118.33 118.98 3jsm n VAL 276 Ca 0.00 0.13 0.02 0.00 -2.96 0.00 0.00 64.34 61.54 3jsm n VAL 276 Cb 0.41 -1.17 0.08 0.00 -1.06 0.00 0.00 33.84 32.09 3jsm n VAL 276 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 3jsm n ARG 277 N -2.63 -0.13 -0.27 1.45 5.12 -1.26 -1.46 116.66 117.48 3jsm n ARG 277 Ca -0.00 1.24 0.25 0.00 -1.93 0.00 0.00 57.85 57.41 3jsm n ARG 277 Cb 0.01 -1.85 0.59 0.00 -1.16 0.00 0.00 32.46 30.05 3jsm n ARG 277 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 3jsm h GLN 278 N 0.00 0.25 0.00 5.56 1.08 -1.96 1.15 115.11 121.18 3jsm h GLN 278 Ca 0.34 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.52 3jsm h GLN 278 Cb 0.54 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 3jsm h GLN 278 CO -0.81 0.16 -1.21 1.28 -0.95 0.00 0.00 178.83 177.30 3jsm n LEU 279 N -4.45 0.77 0.03 1.46 4.77 -0.53 -4.18 117.00 114.87 3jsm n LEU 279 Ca 0.23 -0.39 -0.11 0.00 -0.03 0.00 0.00 56.01 55.71 3jsm n LEU 279 Cb 0.91 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.87 3jsm n LEU 279 CO 0.32 0.19 -0.28 -1.28 -1.33 0.00 0.00 177.39 175.01 3jsm h SER 280 N 0.00 0.11 -1.00 -1.43 0.87 0.56 -3.35 113.55 109.31 3jsm h SER 280 Ca 0.00 -0.17 0.03 0.00 -1.23 0.00 0.00 61.79 60.42 3jsm h SER 280 Cb 0.60 -0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 62.47 3jsm h SER 280 CO 0.00 1.14 0.66 0.50 -0.53 0.00 0.00 176.83 178.60 3jsm h LYS 281 N 0.02 1.24 0.00 2.24 3.64 0.97 -3.20 116.57 121.48 3jsm h LYS 281 Ca -0.19 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 3jsm h LYS 281 Cb 1.94 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 33.48 3jsm h LYS 281 CO 0.12 0.82 0.30 1.28 -2.27 0.00 0.00 179.45 179.69 3jsm n LEU 282 N -4.44 0.00 -3.66 5.20 4.32 -1.26 -4.12 117.00 113.05 3jsm n LEU 282 Ca 0.13 0.10 -0.05 0.00 -0.02 0.00 0.00 56.01 56.17 3jsm n LEU 282 Cb 0.08 -0.10 -0.07 0.00 -1.62 0.00 0.00 43.42 41.71 3jsm n LEU 282 CO 0.35 -0.10 0.14 -1.48 -1.22 0.00 0.00 177.39 175.08 3jsm s LEU 283 N -2.04 -0.84 -0.01 2.23 2.34 -1.21 -5.00 118.68 114.15 3jsm s LEU 283 Ca 0.00 1.26 0.01 0.00 0.06 0.00 0.00 54.13 55.46 3jsm s LEU 283 Cb 0.00 1.80 0.02 0.00 -0.56 0.00 0.00 46.19 47.45 3jsm s LEU 283 CO 0.00 -0.23 0.75 -1.14 -1.06 0.00 0.00 176.35 174.68 3jsm n ARG 284 N 5.30 0.98 -4.20 1.48 0.63 -1.26 -5.01 116.66 114.57 3jsm n ARG 284 Ca -0.11 -1.00 -0.12 0.00 -0.92 0.00 0.00 57.85 55.69 3jsm n ARG 284 Cb 0.50 -0.72 -0.10 0.00 0.45 0.00 0.00 32.46 32.59 3jsm n ARG 284 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3jsm s GLY 285 N -0.62 1.40 -0.83 5.14 0.00 -1.26 -5.08 107.32 106.06 3jsm s GLY 285 Ca 0.02 -1.68 -0.25 0.00 0.00 0.00 0.00 44.72 42.81 3jsm s GLY 285 CO 0.00 -1.41 1.91 -0.51 0.00 0.00 0.00 173.10 173.09 3jsm s THR 286 N -4.10 3.44 0.06 0.90 -4.23 -1.26 -4.96 115.64 105.49 3jsm s THR 286 Ca 0.36 -0.23 0.01 0.00 -1.18 0.00 0.00 61.69 60.65 3jsm s THR 286 Cb 0.07 -4.02 -0.04 0.00 1.34 0.00 0.00 72.50 69.85 3jsm s THR 286 CO 0.11 -0.97 0.18 -0.54 -0.54 0.00 0.00 174.62 172.85 3jsm s LYS 287 N 6.96 3.30 -0.03 3.99 -0.14 -1.26 -5.06 119.74 127.50 3jsm s LYS 287 Ca 0.68 -0.50 -0.30 0.00 -1.36 0.00 0.00 55.97 54.50 3jsm s LYS 287 Cb -0.08 -2.97 -0.07 0.00 -1.68 0.00 0.00 37.83 33.03 3jsm s LYS 287 CO 0.04 0.60 1.86 0.00 -0.76 0.00 0.00 175.35 177.10 3jsm s ALA 288 N -1.48 3.50 0.32 5.17 0.00 -1.26 -4.88 121.76 123.13 3jsm s ALA 288 Ca 0.33 1.09 0.08 0.00 0.00 0.00 0.00 51.96 53.47 3jsm s ALA 288 Cb -0.13 -3.83 0.82 0.00 0.00 0.00 0.00 23.12 19.97 3jsm s ALA 288 CO 0.26 -1.65 1.76 -0.07 0.00 0.00 0.00 175.76 176.07 3jsm h LEU 289 N 10.95 0.72 -1.20 0.00 3.38 -1.97 0.13 115.31 127.33 3jsm h LEU 289 Ca -0.44 0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.56 3jsm h LEU 289 Cb 1.21 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 3jsm h LEU 289 CO 0.95 0.21 -0.29 0.74 0.09 0.00 0.00 178.44 180.14 3jsm h THR 290 N 0.68 1.25 -1.70 0.22 2.02 -1.99 -2.92 112.91 110.47 3jsm h THR 290 Ca 0.60 -1.17 -0.68 0.00 0.77 0.00 0.00 66.41 65.93 3jsm h THR 290 Cb 1.04 1.50 0.07 0.00 -1.74 0.00 0.00 68.15 69.02 3jsm h THR 290 CO -0.40 0.35 0.30 1.21 0.37 0.00 0.00 175.52 177.35 3jsm n GLU 291 N -4.14 1.00 -3.35 6.66 2.13 0.44 -4.72 120.64 118.67 3jsm n GLU 291 Ca -0.01 0.36 -0.38 0.00 0.66 0.00 0.00 57.16 57.78 3jsm n GLU 291 Cb 0.38 -1.90 -0.06 0.00 0.27 0.00 0.00 31.44 30.12 3jsm n GLU 291 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3jsm s VAL 292 N 0.10 4.96 -0.43 6.31 1.01 -1.26 -2.25 120.40 128.83 3jsm s VAL 292 Ca 0.80 1.04 0.07 0.00 0.00 0.00 0.00 61.98 63.89 3jsm s VAL 292 Cb -0.94 -3.82 0.26 0.00 0.00 0.00 0.00 36.38 31.87 3jsm s VAL 292 CO 0.50 0.49 0.73 2.30 0.00 0.00 0.00 175.10 179.13 3jsm n ILE 293 N 2.33 -0.33 -0.86 2.22 -5.35 -0.53 -4.99 119.36 111.85 3jsm n ILE 293 Ca -0.10 -2.89 -0.33 0.00 -0.27 0.00 0.00 62.75 59.15 3jsm n ILE 293 Cb 0.51 -0.20 0.08 0.00 -1.74 0.00 0.00 39.64 38.29 3jsm n ILE 293 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 3jsm n PRO 294 N 1.32 -0.60 -3.41 6.28 -0.04 -1.26 -4.76 135.00 132.53 3jsm n PRO 294 Ca 0.16 -0.17 -0.19 0.00 -0.04 0.00 0.00 63.50 63.25 3jsm n PRO 294 Cb 0.59 -1.22 -0.02 0.00 -0.04 0.00 0.00 33.50 32.82 3jsm n PRO 294 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3jsm s LEU 295 N 4.93 3.59 0.61 1.53 1.02 -1.26 -5.01 118.68 124.10 3jsm s LEU 295 Ca 0.39 -0.52 -0.07 0.00 0.02 0.00 0.00 54.13 53.95 3jsm s LEU 295 Cb 0.03 -2.37 0.00 0.00 0.02 0.00 0.00 46.19 43.87 3jsm s LEU 295 CO 0.59 -0.61 0.94 0.42 0.02 0.00 0.00 176.35 177.72 3jsm s THR 296 N -2.36 3.77 0.32 5.49 -4.23 -1.26 -4.87 115.64 112.50 3jsm s THR 296 Ca 0.49 0.16 0.31 0.00 -1.18 0.00 0.00 61.69 61.47 3jsm s THR 296 Cb -0.07 -3.51 0.33 0.00 1.34 0.00 0.00 72.50 70.59 3jsm s THR 296 CO 0.30 -0.56 2.05 -0.33 -0.54 0.00 0.00 174.62 175.53 3jsm h GLU 297 N -0.25 0.00 0.08 3.99 5.08 -2.00 0.12 114.58 121.60 3jsm h GLU 297 Ca -0.45 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.90 3jsm h GLU 297 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3jsm h GLU 297 CO 0.61 0.09 -0.04 0.93 -1.00 0.00 0.00 179.01 179.61 3jsm h GLU 298 N 0.00 -0.10 -0.01 2.33 3.07 -1.96 -0.23 114.58 117.67 3jsm h GLU 298 Ca -0.00 0.01 -0.09 0.00 -0.50 0.00 0.00 59.36 58.77 3jsm h GLU 298 Cb 0.41 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 3jsm h GLU 298 CO 0.01 0.45 -0.44 0.00 -1.40 0.00 0.00 179.01 177.63 3jsm h ALA 299 N -0.04 1.25 0.00 3.43 0.00 -1.77 0.13 119.26 122.26 3jsm h ALA 299 Ca -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3jsm h ALA 299 Cb 0.60 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3jsm h ALA 299 CO 0.02 0.56 0.00 1.49 0.00 0.00 0.00 179.25 181.32 3jsm h GLU 300 N 0.02 0.00 0.00 0.00 4.57 -0.75 -1.25 114.58 117.17 3jsm h GLU 300 Ca -0.00 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 57.96 3jsm h GLU 300 Cb 0.79 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.34 3jsm h GLU 300 CO 0.06 0.00 -1.66 -0.11 -1.18 0.00 0.00 179.01 176.12 3jsm n LEU 301 N -2.87 0.69 -0.06 1.64 7.94 -0.10 -3.96 117.00 120.27 3jsm n LEU 301 Ca 0.02 0.31 -0.12 0.00 -1.11 0.00 0.00 56.01 55.11 3jsm n LEU 301 Cb 0.34 0.15 -0.05 0.00 0.53 0.00 0.00 43.42 44.39 3jsm n LEU 301 CO 0.27 0.25 0.74 -0.08 -1.11 0.00 0.00 177.39 177.46 3jsm h GLU 302 N 0.00 0.34 -0.86 1.96 4.81 0.12 0.31 114.58 121.26 3jsm h GLU 302 Ca -0.24 -0.11 0.22 0.00 -0.13 0.00 0.00 59.36 59.10 3jsm h GLU 302 Cb 1.75 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 31.06 3jsm h GLU 302 CO 0.05 0.56 0.60 1.25 -0.73 0.00 0.00 179.01 180.73 3jsm h LEU 303 N 0.08 0.19 0.00 1.64 5.85 -1.40 1.42 115.31 123.09 3jsm h LEU 303 Ca 0.05 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3jsm h LEU 303 Cb 0.41 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.43 3jsm h LEU 303 CO 0.01 0.07 -1.03 0.00 -0.34 0.00 0.00 178.44 177.16 3jsm n ALA 304 N -2.61 3.89 -0.03 1.25 0.00 -0.99 -3.38 120.51 118.64 3jsm n ALA 304 Ca 0.18 -0.48 -0.02 0.00 0.00 0.00 0.00 53.44 53.12 3jsm n ALA 304 Cb 0.81 -0.90 -0.01 0.00 0.00 0.00 0.00 19.45 19.35 3jsm n ALA 304 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3jsm h GLU 305 N 0.00 0.00 -0.18 0.00 4.81 0.41 -3.17 114.58 116.45 3jsm h GLU 305 Ca 0.00 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 3jsm h GLU 305 Cb 0.63 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 3jsm h GLU 305 CO 0.00 0.00 0.40 -0.91 -0.73 0.00 0.00 179.01 177.77 3jsm h ASN 306 N -0.45 0.00 1.05 1.04 2.35 0.14 1.18 115.58 120.90 3jsm h ASN 306 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3jsm h ASN 306 Cb 0.20 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 3jsm h ASN 306 CO 0.00 0.00 -0.14 -0.09 -1.65 0.00 0.00 177.43 175.55 3jsm h ARG 307 N 0.00 0.00 0.19 0.81 2.43 -1.62 -3.11 114.38 113.09 3jsm h ARG 307 Ca 0.08 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.94 3jsm h ARG 307 Cb 0.88 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.45 3jsm h ARG 307 CO -0.00 0.14 -1.39 0.93 -1.51 0.00 0.00 179.97 178.14 3jsm h GLU 308 N 0.00 0.41 0.00 0.20 4.39 0.15 -3.20 114.58 116.53 3jsm h GLU 308 Ca -0.00 -0.70 0.00 0.00 0.34 0.00 0.00 59.36 59.00 3jsm h GLU 308 Cb 0.71 0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.62 3jsm h GLU 308 CO 0.02 1.33 0.00 -0.89 -1.16 0.00 0.00 179.01 178.31 3jsm n ILE 309 N -3.62 0.60 -2.03 3.13 5.41 -1.17 -2.16 119.36 119.52 3jsm n ILE 309 Ca -0.14 0.15 -0.30 0.00 1.00 0.00 0.00 62.75 63.46 3jsm n ILE 309 Cb 1.07 -1.12 0.03 0.00 -0.71 0.00 0.00 39.64 38.91 3jsm n ILE 309 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3jsm n LEU 310 N -1.16 5.90 0.00 1.39 4.77 -1.21 -3.86 117.00 122.84 3jsm n LEU 310 Ca 0.01 -4.85 0.00 0.00 -0.03 0.00 0.00 56.01 51.14 3jsm n LEU 310 Cb 0.01 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.45 3jsm n LEU 310 CO 0.01 1.97 0.00 0.29 -1.33 0.00 0.00 177.39 178.33 3jsm n LYS 311 N -0.63 0.00 -3.23 3.23 5.02 -0.92 -4.58 118.16 117.05 3jsm n LYS 311 Ca 0.48 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 56.33 3jsm n LYS 311 Cb 0.65 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.60 3jsm n LYS 311 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3jsm s GLU 312 N 0.00 3.06 0.14 1.97 2.56 -1.19 -5.04 118.70 120.20 3jsm s GLU 312 Ca 0.00 -1.11 -0.35 0.00 0.00 0.00 0.00 54.97 53.52 3jsm s GLU 312 Cb 0.00 -4.13 -0.16 0.00 2.00 0.00 0.00 34.13 31.84 3jsm s GLU 312 CO 0.00 -1.19 1.33 -0.35 -0.56 0.00 0.00 175.26 174.49 3jsm n PRO 313 N 5.84 1.38 -0.88 4.30 -0.04 -1.26 -4.92 135.00 139.41 3jsm n PRO 313 Ca -0.09 0.50 -0.35 0.00 -0.04 0.00 0.00 63.50 63.52 3jsm n PRO 313 Cb 0.44 -2.12 0.09 0.00 -0.04 0.00 0.00 33.50 31.87 3jsm n PRO 313 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 3jsm n VAL 314 N 2.29 0.00 -3.65 0.52 3.14 -1.26 -5.01 118.33 114.36 3jsm n VAL 314 Ca 0.17 -0.29 -0.29 0.00 -2.96 0.00 0.00 64.34 60.96 3jsm n VAL 314 Cb 0.23 -0.30 -0.14 0.00 -1.06 0.00 0.00 33.84 32.57 3jsm n VAL 314 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 3jsm s HIS 315 N -2.17 1.31 0.00 1.45 3.76 -1.26 -4.78 115.29 113.59 3jsm s HIS 315 Ca 0.48 -1.62 0.00 0.00 -0.15 0.00 0.00 55.06 53.76 3jsm s HIS 315 Cb -0.13 -1.46 0.00 0.00 1.11 0.00 0.00 32.58 32.10 3jsm s HIS 315 CO 0.72 -0.85 0.00 0.41 -0.85 0.00 0.00 174.74 174.18 3jsm n GLY 316 N 4.66 0.00 3.48 -2.22 0.00 -1.26 -5.07 105.19 104.78 3jsm n GLY 316 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 3jsm n GLY 316 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3jsm s VAL 317 N 0.00 4.79 -0.17 1.61 -7.23 -1.26 -4.89 120.40 113.25 3jsm s VAL 317 Ca 0.00 -0.26 -0.04 0.00 -1.81 0.00 0.00 61.98 59.87 3jsm s VAL 317 Cb 0.00 -3.40 0.06 0.00 0.56 0.00 0.00 36.38 33.60 3jsm s VAL 317 CO 0.00 0.12 0.06 -0.72 -0.31 0.00 0.00 175.10 174.25 3jsm s TYR 318 N 1.66 0.59 -0.80 2.82 1.13 -1.26 -5.09 117.35 116.40 3jsm s TYR 318 Ca 0.05 -0.54 -0.25 0.00 -1.41 0.00 0.00 57.07 54.92 3jsm s TYR 318 Cb -0.17 -0.84 -0.08 0.00 -1.10 0.00 0.00 41.96 39.77 3jsm s TYR 318 CO 0.07 -0.54 2.14 -0.47 -2.51 0.00 0.00 175.55 174.24 3jsm s TYR 319 N 2.00 1.50 -0.62 -3.49 5.04 -1.26 -4.91 117.35 115.61 3jsm s TYR 319 Ca 0.01 1.20 -0.25 0.00 -2.44 0.00 0.00 57.07 55.59 3jsm s TYR 319 Cb -0.16 -3.80 0.05 0.00 0.35 0.00 0.00 41.96 38.39 3jsm s TYR 319 CO -0.08 -1.80 1.05 0.34 -1.34 0.00 0.00 175.55 173.71 3jsm s ASP 320 N 9.36 6.27 0.25 4.32 2.15 -1.26 -4.88 116.67 132.88 3jsm s ASP 320 Ca 0.80 -0.49 0.17 0.00 0.43 0.00 0.00 52.55 53.45 3jsm s ASP 320 Cb -0.10 -2.47 0.90 0.00 -0.30 0.00 0.00 42.92 40.95 3jsm s ASP 320 CO 0.07 -1.44 1.51 -2.65 -0.17 0.00 0.00 175.17 172.48 3jsm n PRO 321 N 8.03 0.11 0.14 4.34 -0.02 -1.26 -1.96 135.00 144.38 3jsm n PRO 321 Ca 0.01 0.61 0.12 0.00 -2.02 0.00 0.00 63.50 62.22 3jsm n PRO 321 Cb 0.47 -1.86 0.52 0.00 -0.02 0.00 0.00 33.50 32.62 3jsm n PRO 321 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3jsm n SER 322 N -2.08 0.66 -4.42 2.55 2.88 -1.26 -4.78 113.62 107.17 3jsm n SER 322 Ca -0.01 0.69 -0.20 0.00 -1.33 0.00 0.00 58.87 58.02 3jsm n SER 322 Cb 0.03 -0.82 -0.10 0.00 -0.75 0.00 0.00 64.21 62.56 3jsm n SER 322 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 3jsm s LYS 323 N -3.38 1.57 0.01 -1.46 2.47 -0.83 -5.14 119.74 112.97 3jsm s LYS 323 Ca 0.02 -1.86 -0.19 0.00 -1.56 0.00 0.00 55.97 52.39 3jsm s LYS 323 Cb 0.08 -0.79 -0.06 0.00 -1.46 0.00 0.00 37.83 35.61 3jsm s LYS 323 CO 0.35 -0.17 0.55 -0.51 0.16 0.00 0.00 175.35 175.72 3jsm s ASP 324 N -3.44 6.94 -0.24 1.43 1.01 -1.26 -4.94 116.67 116.17 3jsm s ASP 324 Ca 0.35 1.12 -0.29 0.00 0.71 0.00 0.00 52.55 54.44 3jsm s ASP 324 Cb 0.08 -2.34 -0.03 0.00 1.01 0.00 0.00 42.92 41.65 3jsm s ASP 324 CO 0.14 0.17 1.67 -0.76 0.21 0.00 0.00 175.17 176.60 3jsm s LEU 325 N -0.49 3.82 0.70 1.23 1.43 -1.26 -4.80 118.68 119.30 3jsm s LEU 325 Ca 0.29 1.58 -0.01 0.00 -1.03 0.00 0.00 54.13 54.95 3jsm s LEU 325 Cb -0.18 -3.53 0.11 0.00 0.03 0.00 0.00 46.19 42.62 3jsm s LEU 325 CO 0.16 -1.35 0.97 -0.63 0.23 0.00 0.00 176.35 175.73 3jsm s ILE 326 N 5.56 2.21 -0.14 -0.59 1.01 -0.67 -0.57 121.20 128.01 3jsm s ILE 326 Ca 0.74 -0.57 -0.24 0.00 0.00 0.00 0.00 60.65 60.58 3jsm s ILE 326 Cb -0.25 -2.64 0.06 0.00 0.01 0.00 0.00 42.46 39.64 3jsm s ILE 326 CO 0.31 0.00 0.60 0.00 0.00 0.00 0.00 174.94 175.84 3jsm s ALA 327 N -3.11 -1.51 0.13 9.38 0.00 -1.26 -2.95 121.76 122.44 3jsm s ALA 327 Ca 0.65 1.42 0.09 0.00 0.00 0.00 0.00 51.96 54.11 3jsm s ALA 327 Cb -0.06 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 3jsm s ALA 327 CO 0.44 -0.31 -0.21 -1.21 0.00 0.00 0.00 175.76 174.47 3jsm s GLU 328 N -0.38 1.20 -0.00 0.00 2.02 -0.32 -1.46 118.70 119.76 3jsm s GLU 328 Ca -0.05 -1.26 -0.02 0.00 0.02 0.00 0.00 54.97 53.66 3jsm s GLU 328 Cb -0.03 -1.43 -0.00 0.00 0.10 0.00 0.00 34.13 32.77 3jsm s GLU 328 CO 0.04 0.32 0.04 -1.50 0.02 0.00 0.00 175.26 174.18 3jsm s ILE 329 N -1.42 0.04 0.02 -1.63 2.07 -1.26 -2.57 121.20 116.45 3jsm s ILE 329 Ca 0.10 -0.36 0.06 0.00 -1.41 0.00 0.00 60.65 59.04 3jsm s ILE 329 Cb -0.09 -0.18 -0.02 0.00 0.13 0.00 0.00 42.46 42.30 3jsm s ILE 329 CO 0.05 -0.20 -0.17 -1.10 -1.91 0.00 0.00 174.94 171.62 3jsm s GLN 330 N -0.60 1.22 -0.41 3.50 1.11 -1.17 -4.68 119.66 118.64 3jsm s GLN 330 Ca -0.07 -0.73 -0.13 0.00 0.01 0.00 0.00 55.36 54.44 3jsm s GLN 330 Cb -0.04 -1.24 0.04 0.00 -1.01 0.00 0.00 33.01 30.75 3jsm s GLN 330 CO -0.00 0.33 0.27 0.21 0.01 0.00 0.00 175.29 176.11 3jsm s LYS 331 N -0.82 2.87 0.00 2.91 2.20 -1.26 -1.34 119.74 124.30 3jsm s LYS 331 Ca 0.05 -1.14 0.00 0.00 -0.36 0.00 0.00 55.97 54.52 3jsm s LYS 331 Cb -0.07 -3.88 0.00 0.00 -1.51 0.00 0.00 37.83 32.36 3jsm s LYS 331 CO 0.01 -0.79 0.00 1.04 -0.36 0.00 0.00 175.35 175.24 3jsm n GLN 332 N 5.08 0.00 -3.64 4.03 1.13 0.64 -5.00 117.38 119.62 3jsm n GLN 332 Ca -0.11 0.00 -0.05 0.00 -1.94 0.00 0.00 57.00 54.90 3jsm n GLN 332 Cb 0.46 -0.08 -0.07 0.00 0.11 0.00 0.00 30.24 30.66 3jsm n GLN 332 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3jsm s GLY 333 N -0.96 -0.16 -1.09 1.08 0.00 -1.24 -4.90 107.32 100.04 3jsm s GLY 333 Ca 0.00 2.88 -0.18 0.00 0.00 0.00 0.00 44.72 47.42 3jsm s GLY 333 CO 0.00 2.37 0.78 -0.18 0.00 0.00 0.00 173.10 176.06 3jsm n GLN 334 N 3.45 -1.22 -2.08 2.90 7.27 -1.26 -2.76 117.38 123.68 3jsm n GLN 334 Ca -0.17 0.54 -0.04 0.00 0.07 0.00 0.00 57.00 57.40 3jsm n GLN 334 Cb 0.57 -4.07 -0.00 0.00 2.41 0.00 0.00 30.24 29.15 3jsm n GLN 334 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3jsm n GLY 335 N -1.69 0.21 3.31 1.69 0.00 -1.26 -4.62 105.19 102.83 3jsm n GLY 335 Ca -0.10 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 3jsm n GLY 335 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3jsm s GLN 336 N -4.20 2.73 0.03 1.61 2.00 -1.11 -2.86 119.66 117.85 3jsm s GLN 336 Ca 0.00 -1.38 0.08 0.00 -2.00 0.00 0.00 55.36 52.06 3jsm s GLN 336 Cb -0.00 -3.87 -0.02 0.00 0.80 0.00 0.00 33.01 29.92 3jsm s GLN 336 CO 0.00 -0.94 -0.22 -1.58 -0.50 0.00 0.00 175.29 172.05 3jsm s TRP 337 N 1.50 1.98 0.07 1.67 0.52 -0.88 0.24 118.94 124.03 3jsm s TRP 337 Ca 0.03 -0.38 0.08 0.00 0.02 0.00 0.00 56.10 55.85 3jsm s TRP 337 Cb -0.23 -1.21 -0.03 0.00 -1.15 0.00 0.00 33.47 30.86 3jsm s TRP 337 CO 0.04 0.07 -0.22 0.95 0.02 0.00 0.00 176.95 177.81 3jsm s THR 338 N -0.73 1.76 -0.10 2.01 -4.23 -0.45 -1.08 115.64 112.83 3jsm s THR 338 Ca 0.09 -1.36 -0.06 0.00 -1.18 0.00 0.00 61.69 59.18 3jsm s THR 338 Cb -0.09 -1.55 -0.04 0.00 1.34 0.00 0.00 72.50 72.16 3jsm s THR 338 CO 0.01 0.13 0.12 -0.31 -0.54 0.00 0.00 174.62 174.02 3jsm s TYR 339 N -0.93 3.51 -0.40 3.99 1.51 0.32 -3.02 117.35 122.33 3jsm s TYR 339 Ca 0.08 0.45 0.03 0.00 -1.01 0.00 0.00 57.07 56.62 3jsm s TYR 339 Cb -0.09 -1.90 0.16 0.00 -0.11 0.00 0.00 41.96 40.02 3jsm s TYR 339 CO 0.03 0.68 0.33 -0.65 -1.11 0.00 0.00 175.55 174.83 3jsm s GLN 340 N -1.10 0.78 -0.27 -0.62 1.11 -1.06 -2.88 119.66 115.63 3jsm s GLN 340 Ca 0.16 -1.67 -0.14 0.00 0.01 0.00 0.00 55.36 53.72 3jsm s GLN 340 Cb -0.12 -1.21 -0.04 0.00 -1.01 0.00 0.00 33.01 30.63 3jsm s GLN 340 CO 0.05 -1.31 0.32 0.42 0.01 0.00 0.00 175.29 174.78 3jsm s ILE 341 N 0.56 5.22 0.08 1.08 1.01 0.19 -1.17 121.20 128.16 3jsm s ILE 341 Ca 0.27 0.47 -0.18 0.00 0.00 0.00 0.00 60.65 61.21 3jsm s ILE 341 Cb -0.06 -3.65 0.04 0.00 0.01 0.00 0.00 42.46 38.79 3jsm s ILE 341 CO -0.11 0.19 0.42 -0.72 0.00 0.00 0.00 174.94 174.73 3jsm s TYR 342 N 1.90 -0.26 -0.09 3.97 -0.85 -1.15 -1.67 117.35 119.19 3jsm s TYR 342 Ca 0.13 0.11 0.14 0.00 -0.52 0.00 0.00 57.07 56.92 3jsm s TYR 342 Cb -0.16 0.25 -0.20 0.00 0.38 0.00 0.00 41.96 42.24 3jsm s TYR 342 CO 0.10 -0.64 0.17 1.04 -1.52 0.00 0.00 175.55 174.70 3jsm n GLN 343 N 0.17 1.18 -4.23 -3.49 6.02 -1.26 -1.68 117.38 114.10 3jsm n GLN 343 Ca -0.17 -0.06 -0.19 0.00 -0.01 0.00 0.00 57.00 56.56 3jsm n GLN 343 Cb 0.62 -1.36 -0.12 0.00 1.02 0.00 0.00 30.24 30.40 3jsm n GLN 343 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3jsm s GLU 344 N -2.64 0.98 -0.12 -1.09 0.41 -1.26 -4.84 118.70 110.14 3jsm s GLU 344 Ca -0.06 -1.13 -0.34 0.00 -0.41 0.00 0.00 54.97 53.02 3jsm s GLU 344 Cb 0.06 -0.97 -0.12 0.00 -1.78 0.00 0.00 34.13 31.33 3jsm s GLU 344 CO 0.59 0.20 1.91 -2.30 -0.49 0.00 0.00 175.26 175.17 3jsm n PRO 345 N 0.88 2.08 0.00 0.39 -0.02 -1.26 -1.41 135.00 135.66 3jsm n PRO 345 Ca -0.18 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3jsm n PRO 345 Cb 0.55 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 3jsm n PRO 345 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3jsm n PHE 346 N 6.97 0.00 -1.82 6.00 3.72 -1.26 -4.87 117.46 126.19 3jsm n PHE 346 Ca 0.24 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.24 3jsm n PHE 346 Cb 0.29 -0.03 -0.01 0.00 -0.94 0.00 0.00 39.48 38.79 3jsm n PHE 346 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3jsm n LYS 347 N -1.95 4.09 -2.03 -1.08 4.76 -0.50 -4.74 118.16 116.71 3jsm n LYS 347 Ca 0.00 -3.05 -0.42 0.00 -2.87 0.00 0.00 58.31 51.97 3jsm n LYS 347 Cb 0.00 -2.77 -0.03 0.00 -1.84 0.00 0.00 35.03 30.40 3jsm n LYS 347 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3jsm s ASN 348 N 1.15 5.76 0.38 4.39 -0.87 -1.26 -4.10 114.94 120.39 3jsm s ASN 348 Ca 0.56 1.05 0.16 0.00 -1.57 0.00 0.00 52.86 53.06 3jsm s ASN 348 Cb 0.17 -2.53 0.75 0.00 -0.02 0.00 0.00 41.25 39.62 3jsm s ASN 348 CO -0.07 -1.86 1.80 -0.07 -2.57 0.00 0.00 177.10 174.33 3jsm h LEU 349 N 14.28 0.00 -7.00 0.60 3.38 -1.69 -3.45 115.31 121.44 3jsm h LEU 349 Ca -0.31 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.74 3jsm h LEU 349 Cb 1.16 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.64 3jsm h LEU 349 CO 1.08 0.38 0.51 -0.75 0.09 0.00 0.00 178.44 179.75 3jsm s LYS 350 N -3.94 0.43 0.27 1.13 2.20 -0.83 -5.05 119.74 113.95 3jsm s LYS 350 Ca -0.02 0.52 0.02 0.00 -0.36 0.00 0.00 55.97 56.13 3jsm s LYS 350 Cb 0.13 0.20 -0.05 0.00 -1.51 0.00 0.00 37.83 36.61 3jsm s LYS 350 CO 0.70 -0.05 0.11 0.95 -0.36 0.00 0.00 175.35 176.70 3jsm s THR 351 N 0.26 0.50 -1.21 3.43 -4.23 -1.26 -0.64 115.64 112.49 3jsm s THR 351 Ca 0.03 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 3jsm s THR 351 Cb -0.05 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 71.19 3jsm s THR 351 CO -0.08 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.61 3jsm n GLY 352 N -0.50 -0.81 3.48 3.99 0.00 -1.14 -4.16 105.19 106.07 3jsm n GLY 352 Ca 0.00 -0.79 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 3jsm n GLY 352 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jsm s LYS 353 N -0.49 1.65 -0.17 1.61 -2.85 -1.26 0.12 119.74 118.34 3jsm s LYS 353 Ca 0.00 -1.53 -0.08 0.00 -1.00 0.00 0.00 55.97 53.36 3jsm s LYS 353 Cb 0.00 0.43 0.07 0.00 -2.06 0.00 0.00 37.83 36.27 3jsm s LYS 353 CO 0.00 -0.67 0.39 -0.47 0.10 0.00 0.00 175.35 174.71 3jsm s TYR 354 N -3.62 -0.65 0.26 1.78 5.04 -0.24 -4.92 117.35 114.99 3jsm s TYR 354 Ca 0.29 1.33 0.12 0.00 -2.44 0.00 0.00 57.07 56.37 3jsm s TYR 354 Cb 0.01 0.24 -0.05 0.00 0.35 0.00 0.00 41.96 42.51 3jsm s TYR 354 CO 0.14 -0.40 -0.21 0.00 -1.34 0.00 0.00 175.55 173.74 3jsm s ALA 355 N 2.01 2.70 0.29 3.97 0.00 -1.24 -2.08 121.76 127.40 3jsm s ALA 355 Ca -0.05 -1.82 -0.29 0.00 0.00 0.00 0.00 51.96 49.80 3jsm s ALA 355 Cb -0.10 -0.28 -0.10 0.00 0.00 0.00 0.00 23.12 22.64 3jsm s ALA 355 CO -0.12 0.32 1.24 0.50 0.00 0.00 0.00 175.76 177.70 3jsm s ARG 356 N -3.30 4.45 0.88 0.00 3.52 -1.13 -5.02 118.95 118.35 3jsm s ARG 356 Ca 0.28 2.05 -0.13 0.00 -0.13 0.00 0.00 55.73 57.79 3jsm s ARG 356 Cb -0.06 -3.14 0.14 0.00 -1.56 0.00 0.00 34.95 30.33 3jsm s ARG 356 CO 0.14 -0.07 1.24 0.00 -0.81 0.00 0.00 175.30 175.79 3jsm s MET 357 N -1.31 1.34 0.00 5.12 0.23 -1.26 -4.90 119.30 118.51 3jsm s MET 357 Ca 0.49 -0.17 -0.01 0.00 -1.03 0.00 0.00 55.69 54.97 3jsm s MET 357 Cb -0.36 -1.92 -0.03 0.00 -1.53 0.00 0.00 34.83 30.99 3jsm s MET 357 CO 0.46 -1.97 1.48 -2.13 -2.03 0.00 0.00 175.02 170.82 3jsm n ARG 358 N -3.51 0.74 -4.27 3.16 0.63 -1.26 -4.72 116.66 107.43 3jsm n ARG 358 Ca 0.12 -0.12 -0.29 0.00 -0.92 0.00 0.00 57.85 56.63 3jsm n ARG 358 Cb 0.60 -1.31 -0.04 0.00 0.45 0.00 0.00 32.46 32.17 3jsm n ARG 358 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3jsm n GLY 359 N 1.88 3.18 3.63 5.14 0.00 -1.26 -5.08 105.19 112.68 3jsm n GLY 359 Ca 0.05 -2.34 -0.41 0.00 0.00 0.00 0.00 46.02 43.32 3jsm n GLY 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jsm n ALA 360 N -1.61 0.38 -2.51 4.61 0.00 -1.26 -4.90 120.51 115.22 3jsm n ALA 360 Ca -0.19 0.23 -0.42 0.00 0.00 0.00 0.00 53.44 53.06 3jsm n ALA 360 Cb 0.63 -2.12 -0.03 0.00 0.00 0.00 0.00 19.45 17.94 3jsm n ALA 360 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3jsm s HIS 361 N -1.27 3.47 0.13 0.00 -3.43 -1.26 -4.97 115.29 107.96 3jsm s HIS 361 Ca 0.63 1.41 0.01 0.00 -0.80 0.00 0.00 55.06 56.31 3jsm s HIS 361 Cb -0.54 -3.33 0.02 0.00 -1.43 0.00 0.00 32.58 27.30 3jsm s HIS 361 CO 0.57 -0.90 0.18 0.25 -2.00 0.00 0.00 174.74 172.84 3jsm n THR 362 N 4.02 0.00 -3.23 -5.38 -2.24 -1.26 -5.14 114.28 101.05 3jsm n THR 362 Ca 0.08 -0.36 -0.18 0.00 -2.27 0.00 0.00 64.05 61.33 3jsm n THR 362 Cb 0.48 -1.08 0.04 0.00 -2.10 0.00 0.00 70.33 67.67 3jsm n THR 362 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3jsm n ASN 363 N -2.92 1.96 0.06 3.42 6.94 -1.26 -4.99 115.26 118.46 3jsm n ASN 363 Ca 0.03 -2.38 -0.06 0.00 -0.02 0.00 0.00 54.58 52.15 3jsm n ASN 363 Cb 0.12 -0.28 -0.04 0.00 -2.36 0.00 0.00 39.78 37.22 3jsm n ASN 363 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 3jsm h ASP 364 N 0.20 -0.59 -0.62 0.53 3.32 -2.00 -2.72 116.42 114.53 3jsm h ASP 364 Ca -0.25 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 3jsm h ASP 364 Cb 1.06 0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.80 3jsm h ASP 364 CO 0.36 -0.22 0.35 -0.37 -1.72 0.00 0.00 179.24 177.64 3jsm h VAL 365 N -0.31 1.19 -0.98 -1.35 -1.51 -1.98 -0.04 116.25 111.28 3jsm h VAL 365 Ca -0.01 -0.47 0.18 0.00 -1.23 0.00 0.00 66.70 65.17 3jsm h VAL 365 Cb 0.30 0.37 -0.10 0.00 -2.13 0.00 0.00 31.29 29.73 3jsm h VAL 365 CO -0.09 0.21 0.59 0.50 -1.23 0.00 0.00 177.57 177.54 3jsm h LYS 366 N 0.84 0.74 0.40 5.19 3.64 -1.96 -0.78 116.57 124.65 3jsm h LYS 366 Ca 0.22 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 3jsm h LYS 366 Cb 0.02 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 3jsm h LYS 366 CO -0.04 0.49 -0.19 1.96 -2.27 0.00 0.00 179.45 179.40 3jsm h GLN 367 N 0.76 -0.52 -0.92 1.90 4.20 -1.07 -2.88 115.11 116.58 3jsm h GLN 367 Ca 0.56 0.04 0.34 0.00 0.06 0.00 0.00 58.65 59.64 3jsm h GLN 367 Cb 0.83 0.12 -0.17 0.00 0.30 0.00 0.00 27.48 28.56 3jsm h GLN 367 CO -0.37 -0.32 0.33 -0.11 -0.67 0.00 0.00 178.83 177.68 3jsm n LEU 368 N -5.14 0.17 0.20 1.46 0.00 -0.08 0.84 117.00 114.44 3jsm n LEU 368 Ca -0.07 1.53 -0.14 0.00 0.00 0.00 0.00 56.01 57.33 3jsm n LEU 368 Cb 0.22 -0.68 -0.08 0.00 0.00 0.00 0.00 43.42 42.88 3jsm n LEU 368 CO 0.18 -1.66 0.55 0.71 0.00 0.00 0.00 177.39 177.17 3jsm h THR 369 N 0.00 0.58 -0.73 1.96 1.35 -1.20 -2.49 112.91 112.38 3jsm h THR 369 Ca 0.70 -0.47 0.20 0.00 -0.55 0.00 0.00 66.41 66.29 3jsm h THR 369 Cb 1.74 0.80 -0.03 0.00 -1.73 0.00 0.00 68.15 68.93 3jsm h THR 369 CO -0.76 0.08 0.52 -0.33 -0.25 0.00 0.00 175.52 174.78 3jsm h GLU 370 N -0.80 0.06 -1.37 4.72 5.08 0.66 0.52 114.58 123.45 3jsm h GLU 370 Ca -0.05 -0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.93 3jsm h GLU 370 Cb 0.53 -0.01 -0.17 0.00 0.50 0.00 0.00 28.75 29.60 3jsm h GLU 370 CO 0.09 0.04 0.48 0.00 -1.00 0.00 0.00 179.01 178.62 3jsm n ALA 371 N -2.65 5.20 0.00 3.43 0.00 0.17 -1.73 120.51 124.93 3jsm n ALA 371 Ca 0.14 -1.94 0.00 0.00 0.00 0.00 0.00 53.44 51.65 3jsm n ALA 371 Cb 0.76 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.79 3jsm n ALA 371 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3jsm n VAL 372 N 0.05 0.00 -0.02 0.00 0.31 0.17 -4.67 118.33 114.16 3jsm n VAL 372 Ca 0.36 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.50 3jsm n VAL 372 Cb 0.67 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.46 3jsm n VAL 372 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 3jsm h GLN 373 N 0.00 0.14 0.57 5.55 4.20 -1.19 -2.42 115.11 121.96 3jsm h GLN 373 Ca 0.00 -0.25 -0.03 0.00 0.06 0.00 0.00 58.65 58.44 3jsm h GLN 373 Cb 0.00 0.09 0.01 0.00 0.30 0.00 0.00 27.48 27.88 3jsm h GLN 373 CO 0.00 1.12 -0.27 0.87 -0.67 0.00 0.00 178.83 179.88 3jsm h LYS 374 N -0.64 -0.73 -0.55 1.46 1.79 -1.60 0.87 116.57 117.16 3jsm h LYS 374 Ca -0.18 0.05 0.11 0.00 -2.18 0.00 0.00 60.65 58.44 3jsm h LYS 374 Cb 1.43 0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 32.22 3jsm h LYS 374 CO 0.02 -0.47 0.38 0.97 -1.08 0.00 0.00 179.45 179.27 3jsm h ILE 375 N -0.82 0.87 0.16 1.86 2.10 -1.80 -1.18 117.51 118.70 3jsm h ILE 375 Ca -0.08 -0.10 -0.30 0.00 1.08 0.00 0.00 64.86 65.45 3jsm h ILE 375 Cb 0.61 0.54 0.03 0.00 -1.09 0.00 0.00 36.82 36.91 3jsm h ILE 375 CO 0.13 0.05 -1.29 0.74 -1.08 0.00 0.00 178.15 176.70 3jsm h THR 376 N 0.30 1.29 -0.15 2.19 2.02 -0.88 -1.89 112.91 115.80 3jsm h THR 376 Ca 0.26 -2.53 0.04 0.00 0.77 0.00 0.00 66.41 64.95 3jsm h THR 376 Cb 0.62 2.82 -0.04 0.00 -1.74 0.00 0.00 68.15 69.81 3jsm h THR 376 CO -0.06 0.76 -0.10 0.74 0.37 0.00 0.00 175.52 177.23 3jsm h THR 377 N 0.20 0.70 0.37 3.16 2.02 0.16 -1.74 112.91 117.78 3jsm h THR 377 Ca -0.21 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 3jsm h THR 377 Cb 1.98 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 69.08 3jsm h THR 377 CO 0.25 0.00 -0.32 -0.33 0.37 0.00 0.00 175.52 175.48 3jsm h GLU 378 N -0.10 -0.65 -0.58 6.66 5.08 -1.32 -2.61 114.58 121.05 3jsm h GLU 378 Ca 0.09 0.04 0.24 0.00 -1.00 0.00 0.00 59.36 58.73 3jsm h GLU 378 Cb 0.23 0.15 -0.11 0.00 0.50 0.00 0.00 28.75 29.53 3jsm h GLU 378 CO -0.21 -0.44 0.28 0.45 -1.00 0.00 0.00 179.01 178.09 3jsm n SER 379 N -4.36 0.17 0.08 1.42 2.88 -0.71 0.35 113.62 113.46 3jsm n SER 379 Ca -0.08 0.97 -0.11 0.00 -1.33 0.00 0.00 58.87 58.32 3jsm n SER 379 Cb 0.30 -0.46 -0.08 0.00 -0.75 0.00 0.00 64.21 63.23 3jsm n SER 379 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 3jsm h ILE 380 N 0.00 0.78 -0.40 2.46 2.04 -0.93 -1.19 117.51 120.28 3jsm h ILE 380 Ca 0.48 -1.00 0.08 0.00 1.00 0.00 0.00 64.86 65.42 3jsm h ILE 380 Cb 1.25 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 38.59 3jsm h ILE 380 CO -0.46 0.19 0.28 0.58 0.00 0.00 0.00 178.15 178.73 3jsm h VAL 381 N -0.85 0.88 0.00 1.67 2.07 0.14 1.70 116.25 121.87 3jsm h VAL 381 Ca -0.03 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.44 3jsm h VAL 381 Cb 0.52 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3jsm h VAL 381 CO 0.04 0.03 -0.97 -0.38 0.02 0.00 0.00 177.57 176.32 3jsm n ILE 382 N -4.46 0.40 -0.57 4.57 5.41 -0.29 -4.07 119.36 120.36 3jsm n ILE 382 Ca 0.06 -0.40 0.00 0.00 1.00 0.00 0.00 62.75 63.41 3jsm n ILE 382 Cb 0.35 -0.12 0.00 0.00 -0.71 0.00 0.00 39.64 39.16 3jsm n ILE 382 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 176.55 177.34 3jsm n TRP 383 N -2.32 0.00 -1.47 1.39 8.01 -0.45 -5.02 117.44 117.58 3jsm n TRP 383 Ca 0.01 0.00 -0.05 0.00 -1.31 0.00 0.00 57.50 56.15 3jsm n TRP 383 Cb 0.49 0.00 -0.01 0.00 -2.01 0.00 0.00 31.31 29.78 3jsm n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3jsm n GLY 384 N 0.00 0.55 3.85 6.99 0.00 0.58 -4.96 105.19 112.20 3jsm n GLY 384 Ca 0.00 -0.79 -0.06 0.00 0.00 0.00 0.00 46.02 45.18 3jsm n GLY 384 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jsm s LYS 385 N -3.05 1.72 0.15 1.61 -2.85 -1.25 -4.99 119.74 111.08 3jsm s LYS 385 Ca 0.00 -1.10 0.08 0.00 -1.00 0.00 0.00 55.97 53.95 3jsm s LYS 385 Cb 0.00 0.48 -0.04 0.00 -2.06 0.00 0.00 37.83 36.21 3jsm s LYS 385 CO 0.00 -0.80 -0.10 0.95 0.10 0.00 0.00 175.35 175.50 3jsm s THR 386 N -2.25 3.26 0.00 3.79 -4.23 -1.26 -2.33 115.64 112.61 3jsm s THR 386 Ca 0.19 -1.50 0.00 0.00 -1.18 0.00 0.00 61.69 59.20 3jsm s THR 386 Cb -0.04 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.23 3jsm s THR 386 CO 0.08 -0.02 0.00 -2.65 -0.54 0.00 0.00 174.62 171.49 3jsm n PRO 387 N 0.31 1.21 -3.04 3.99 -0.02 -1.25 -4.50 135.00 131.70 3jsm n PRO 387 Ca -0.12 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.20 3jsm n PRO 387 Cb 0.54 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 34.02 3jsm n PRO 387 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3jsm n LYS 388 N 0.00 0.89 -1.57 -0.52 0.00 0.27 -4.17 118.16 113.05 3jsm n LYS 388 Ca 0.00 -2.82 -0.59 0.00 0.00 0.00 0.00 58.31 54.90 3jsm n LYS 388 Cb 0.00 -1.41 -0.08 0.00 0.00 0.00 0.00 35.03 33.54 3jsm n LYS 388 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3jsm n PHE 389 N 0.78 1.08 -3.34 5.64 3.01 -1.20 -4.01 117.46 119.42 3jsm n PHE 389 Ca 0.18 0.97 -0.41 0.00 1.01 0.00 0.00 57.45 59.20 3jsm n PHE 389 Cb 0.63 -2.18 -0.09 0.00 -0.01 0.00 0.00 39.48 37.83 3jsm n PHE 389 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3jsm s LYS 390 N 0.83 3.55 0.10 -1.08 -0.14 -0.54 -0.87 119.74 121.58 3jsm s LYS 390 Ca 0.93 -0.36 -0.06 0.00 -1.36 0.00 0.00 55.97 55.12 3jsm s LYS 390 Cb -1.24 -3.82 -0.05 0.00 -1.68 0.00 0.00 37.83 31.04 3jsm s LYS 390 CO 0.60 -0.59 0.35 -0.51 -0.76 0.00 0.00 175.35 174.44 3jsm s LEU 391 N 2.14 4.30 -0.11 3.17 1.43 0.12 -4.01 118.68 125.72 3jsm s LEU 391 Ca 0.14 0.60 0.12 0.00 -1.03 0.00 0.00 54.13 53.96 3jsm s LEU 391 Cb -0.16 -3.12 0.55 0.00 0.03 0.00 0.00 46.19 43.48 3jsm s LEU 391 CO 0.12 0.11 1.39 -0.81 0.23 0.00 0.00 176.35 177.40 3jsm n PRO 392 N 0.42 3.25 -4.44 1.29 -0.04 -1.26 -0.52 135.00 133.70 3jsm n PRO 392 Ca -0.05 -2.13 -0.25 0.00 -0.04 0.00 0.00 63.50 61.03 3jsm n PRO 392 Cb 0.52 -1.83 -0.09 0.00 -0.04 0.00 0.00 33.50 32.05 3jsm n PRO 392 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3jsm s ILE 393 N -1.93 2.50 -0.10 0.52 2.07 -1.26 -5.01 121.20 117.99 3jsm s ILE 393 Ca 0.38 -2.13 -0.25 0.00 -1.41 0.00 0.00 60.65 57.24 3jsm s ILE 393 Cb 0.26 -2.67 -0.03 0.00 0.13 0.00 0.00 42.46 40.16 3jsm s ILE 393 CO 0.16 -0.24 0.77 -1.10 -1.91 0.00 0.00 174.94 172.62 3jsm s GLN 394 N -3.64 4.39 0.02 3.50 -1.52 -1.26 -4.63 119.66 116.52 3jsm s GLN 394 Ca 0.33 0.97 -0.03 0.00 -1.95 0.00 0.00 55.36 54.68 3jsm s GLN 394 Cb -0.00 -3.50 -0.01 0.00 -0.22 0.00 0.00 33.01 29.28 3jsm s GLN 394 CO 0.18 -0.10 0.70 1.17 -0.25 0.00 0.00 175.29 176.99 3jsm n LYS 395 N 4.35 -0.04 -0.35 2.91 4.81 -1.26 0.12 118.16 128.69 3jsm n LYS 395 Ca 0.01 0.69 0.26 0.00 -0.87 0.00 0.00 58.31 58.41 3jsm n LYS 395 Cb 0.50 -1.04 0.52 0.00 0.02 0.00 0.00 35.03 35.04 3jsm n LYS 395 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3jsm h GLU 396 N 0.00 0.32 0.20 1.64 4.39 -1.96 0.39 114.58 119.55 3jsm h GLU 396 Ca 0.02 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 3jsm h GLU 396 Cb 0.04 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 3jsm h GLU 396 CO -0.09 0.21 -0.09 1.15 -1.16 0.00 0.00 179.01 179.02 3jsm h THR 397 N 0.33 0.87 0.28 1.13 2.02 0.53 -2.37 112.91 115.70 3jsm h THR 397 Ca 0.67 -0.89 0.01 0.00 0.77 0.00 0.00 66.41 66.97 3jsm h THR 397 Cb 1.75 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 69.49 3jsm h THR 397 CO -0.39 0.19 -0.41 -0.25 0.37 0.00 0.00 175.52 175.02 3jsm h TRP 398 N -0.75 -1.15 0.00 3.16 2.91 0.18 -1.19 115.95 119.11 3jsm h TRP 398 Ca -0.03 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.01 3jsm h TRP 398 Cb 0.51 0.47 0.00 0.00 -0.51 0.00 0.00 29.16 29.62 3jsm h TRP 398 CO 0.06 -0.54 0.04 0.39 -1.03 0.00 0.00 178.44 177.35 3jsm n GLU 399 N -5.48 0.14 -0.09 2.65 1.02 0.10 -1.09 120.64 117.89 3jsm n GLU 399 Ca -0.09 0.63 -0.17 0.00 -0.02 0.00 0.00 57.16 57.51 3jsm n GLU 399 Cb 0.39 -1.99 -0.11 0.00 -0.02 0.00 0.00 31.44 29.71 3jsm n GLU 399 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3jsm h THR 400 N 0.00 1.21 0.00 2.62 2.02 -0.66 -3.43 112.91 114.67 3jsm h THR 400 Ca 0.00 -2.15 0.00 0.00 0.77 0.00 0.00 66.41 65.03 3jsm h THR 400 Cb 0.08 2.53 0.00 0.00 -1.74 0.00 0.00 68.15 69.02 3jsm h THR 400 CO 0.00 0.41 -1.51 0.79 0.37 0.00 0.00 175.52 175.58 3jsm n TRP 401 N -4.53 0.00 -0.25 3.16 8.01 -1.03 -4.73 117.44 118.08 3jsm n TRP 401 Ca -0.21 0.00 -0.07 0.00 -1.31 0.00 0.00 57.50 55.91 3jsm n TRP 401 Cb 0.55 -0.28 -0.02 0.00 -2.01 0.00 0.00 31.31 29.55 3jsm n TRP 401 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.69 176.79 3jsm h TRP 402 N 0.00 -1.27 0.00 -5.99 5.08 -1.34 0.43 115.95 112.86 3jsm h TRP 402 Ca 0.00 0.09 0.00 0.00 1.08 0.00 0.00 58.89 60.06 3jsm h TRP 402 Cb 0.66 0.65 0.00 0.00 -3.00 0.00 0.00 29.16 27.47 3jsm h TRP 402 CO 0.00 -0.41 0.45 1.79 -1.28 0.00 0.00 178.44 178.99 3jsm h THR 403 N -0.16 0.00 -0.05 0.12 1.35 -1.84 -0.48 112.91 111.83 3jsm h THR 403 Ca 0.21 0.00 -0.11 0.00 -0.55 0.00 0.00 66.41 65.97 3jsm h THR 403 Cb 0.55 0.31 0.01 0.00 -1.73 0.00 0.00 68.15 67.29 3jsm h THR 403 CO -0.76 0.00 -0.38 -0.33 -0.25 0.00 0.00 175.52 173.80 3jsm h GLU 404 N 0.00 0.35 -0.78 4.72 4.39 -0.46 -3.34 114.58 119.47 3jsm h GLU 404 Ca 0.00 -0.31 -0.35 0.00 0.34 0.00 0.00 59.36 59.05 3jsm h GLU 404 Cb 0.89 0.07 -0.21 0.00 -0.10 0.00 0.00 28.75 29.41 3jsm h GLU 404 CO 0.00 0.96 0.39 0.66 -1.16 0.00 0.00 179.01 179.85 3jsm n TYR 405 N -4.38 2.45 -4.03 4.33 4.01 -0.20 -4.98 117.16 114.36 3jsm n TYR 405 Ca -0.09 -1.58 -0.25 0.00 -0.16 0.00 0.00 57.90 55.83 3jsm n TYR 405 Cb 0.54 -0.77 -0.04 0.00 -0.31 0.00 0.00 39.34 38.76 3jsm n TYR 405 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 3jsm s TRP 406 N -3.18 3.28 0.00 -0.72 -0.11 -1.20 -4.69 118.94 112.32 3jsm s TRP 406 Ca 0.54 0.01 0.00 0.00 1.22 0.00 0.00 56.10 57.86 3jsm s TRP 406 Cb 0.45 -1.55 0.00 0.00 -1.50 0.00 0.00 33.47 30.87 3jsm s TRP 406 CO 0.10 0.51 0.06 1.04 -4.62 0.00 0.00 176.95 174.03 3jsm n GLN 407 N -0.70 0.00 -3.01 5.86 3.00 -1.26 -4.78 117.38 116.49 3jsm n GLN 407 Ca -0.08 -0.06 -0.38 0.00 -0.01 0.00 0.00 57.00 56.48 3jsm n GLN 407 Cb 0.55 -0.13 -0.06 0.00 0.00 0.00 0.00 30.24 30.60 3jsm n GLN 407 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3jsm s ALA 408 N 0.00 3.40 -0.32 -1.58 0.00 -1.26 -4.92 121.76 117.08 3jsm s ALA 408 Ca 0.00 0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.27 3jsm s ALA 408 Cb 0.00 -2.92 0.38 0.00 0.00 0.00 0.00 23.12 20.58 3jsm s ALA 408 CO 0.00 0.29 1.70 0.25 0.00 0.00 0.00 175.76 178.01 3jsm n THR 409 N 1.08 2.57 -4.11 0.00 -2.24 -1.26 -4.81 114.28 105.51 3jsm n THR 409 Ca -0.03 -1.43 -0.14 0.00 -2.27 0.00 0.00 64.05 60.17 3jsm n THR 409 Cb 0.50 -0.85 -0.05 0.00 -2.10 0.00 0.00 70.33 67.83 3jsm n THR 409 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 3jsm s TRP 410 N -2.16 1.04 -0.25 4.78 1.48 -1.26 -4.65 118.94 117.93 3jsm s TRP 410 Ca 0.37 -1.26 -0.02 0.00 -1.06 0.00 0.00 56.10 54.13 3jsm s TRP 410 Cb 0.31 -0.16 0.14 0.00 -1.16 0.00 0.00 33.47 32.60 3jsm s TRP 410 CO 0.05 -1.04 0.39 0.42 -4.06 0.00 0.00 176.95 172.71 3jsm s ILE 411 N -3.34 -0.62 0.90 0.66 1.01 -1.26 -5.03 121.20 113.51 3jsm s ILE 411 Ca 0.31 -0.10 -0.10 0.00 0.00 0.00 0.00 60.65 60.76 3jsm s ILE 411 Cb 0.01 -0.84 0.14 0.00 0.01 0.00 0.00 42.46 41.77 3jsm s ILE 411 CO 0.19 -0.14 1.14 -2.16 0.00 0.00 0.00 174.94 173.97 3jsm s PRO 412 N 2.56 1.16 0.71 2.79 0.04 -1.26 -4.86 135.00 136.13 3jsm s PRO 412 Ca 0.13 1.51 -0.08 0.00 0.04 0.00 0.00 61.00 62.60 3jsm s PRO 412 Cb -0.15 -1.75 0.05 0.00 0.04 0.00 0.00 34.50 32.70 3jsm s PRO 412 CO -0.18 -2.52 1.04 -2.00 0.04 0.00 0.00 177.00 173.37 3jsm s GLU 413 N -4.68 2.31 0.06 4.56 2.12 -1.26 -5.01 118.70 116.81 3jsm s GLU 413 Ca 0.66 -0.09 -0.27 0.00 0.36 0.00 0.00 54.97 55.64 3jsm s GLU 413 Cb -0.22 -2.13 0.09 0.00 0.26 0.00 0.00 34.13 32.13 3jsm s GLU 413 CO 0.58 -1.21 0.89 1.67 -0.54 0.00 0.00 175.26 176.65 3jsm s TRP 414 N -3.28 -0.29 0.21 5.30 -2.14 -1.26 -3.27 118.94 114.21 3jsm s TRP 414 Ca 0.59 0.09 -0.06 0.00 2.66 0.00 0.00 56.10 59.38 3jsm s TRP 414 Cb -0.11 0.57 -0.02 0.00 -3.10 0.00 0.00 33.47 30.81 3jsm s TRP 414 CO 0.46 -0.66 0.28 -1.83 -2.66 0.00 0.00 176.95 172.54 3jsm s GLU 415 N -3.22 1.33 -0.04 3.25 -1.05 -0.05 -4.98 118.70 113.94 3jsm s GLU 415 Ca 0.07 -1.43 0.06 0.00 -0.15 0.00 0.00 54.97 53.52 3jsm s GLU 415 Cb -0.01 0.36 -0.02 0.00 -0.44 0.00 0.00 34.13 34.02 3jsm s GLU 415 CO -0.05 -0.49 -0.23 -0.06 0.95 0.00 0.00 175.26 175.37 3jsm s PHE 416 N -4.08 2.45 -0.01 4.83 0.08 -1.26 0.11 117.98 120.09 3jsm s PHE 416 Ca 0.30 -0.47 0.00 0.00 0.12 0.00 0.00 56.93 56.88 3jsm s PHE 416 Cb 0.04 -1.56 0.01 0.00 -0.57 0.00 0.00 43.02 40.94 3jsm s PHE 416 CO 0.09 -0.05 0.01 0.54 -0.10 0.00 0.00 175.22 175.71 3jsm s VAL 417 N -0.48 0.04 -0.35 -0.44 0.11 0.32 -4.85 120.40 114.74 3jsm s VAL 417 Ca 0.06 0.08 -0.07 0.00 -2.93 0.00 0.00 61.98 59.12 3jsm s VAL 417 Cb -0.11 -0.10 0.05 0.00 -1.53 0.00 0.00 36.38 34.68 3jsm s VAL 417 CO 0.01 0.06 0.14 0.54 -3.33 0.00 0.00 175.10 172.52 3jsm s ASN 418 N 0.54 5.38 -0.08 3.54 4.22 -1.26 -4.28 114.94 122.99 3jsm s ASN 418 Ca -0.05 -1.22 -0.03 0.00 -2.14 0.00 0.00 52.86 49.42 3jsm s ASN 418 Cb -0.07 -1.89 0.05 0.00 1.28 0.00 0.00 41.25 40.61 3jsm s ASN 418 CO -0.01 -0.37 0.17 0.42 -2.04 0.00 0.00 177.10 175.27 3jsm s THR 419 N 1.40 -0.20 0.93 0.54 -4.23 -1.26 -5.15 115.64 107.67 3jsm s THR 419 Ca -0.00 0.28 -0.12 0.00 -1.18 0.00 0.00 61.69 60.66 3jsm s THR 419 Cb -0.20 -0.30 0.06 0.00 1.34 0.00 0.00 72.50 73.40 3jsm s THR 419 CO 0.03 0.12 0.60 -2.65 -0.54 0.00 0.00 174.62 172.17 3jsm n PRO 420 N 4.92 -0.29 0.00 3.99 -0.02 -1.26 -5.05 135.00 137.29 3jsm n PRO 420 Ca -0.13 -0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 3jsm n PRO 420 Cb 0.51 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 3jsm n PRO 420 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3jsm n PRO 421 N -2.26 3.42 0.00 0.52 -0.04 -1.26 -4.69 135.00 130.69 3jsm n PRO 421 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 3jsm n PRO 421 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 3jsm n PRO 421 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3jsm n LEU 422 N 0.00 0.00 -1.41 1.53 7.94 -1.26 -4.68 117.00 119.13 3jsm n LEU 422 Ca 0.00 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 55.01 3jsm n LEU 422 Cb 0.00 0.00 0.33 0.00 0.53 0.00 0.00 43.42 44.28 3jsm n LEU 422 CO 0.00 0.00 0.78 1.33 -1.11 0.00 0.00 177.39 178.39 3jsm n VAL 423 N -2.00 1.19 0.07 1.96 0.24 -1.26 -3.38 118.33 115.16 3jsm n VAL 423 Ca 0.00 -1.05 0.10 0.00 -2.04 0.00 0.00 64.34 61.35 3jsm n VAL 423 Cb 0.00 0.41 -0.15 0.00 -1.47 0.00 0.00 33.84 32.64 3jsm n VAL 423 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3jsm n LYS 424 N 1.53 0.60 -0.17 7.34 5.02 -1.26 -4.24 118.16 126.98 3jsm n LYS 424 Ca 0.25 -0.16 0.22 0.00 -2.02 0.00 0.00 58.31 56.60 3jsm n LYS 424 Cb 0.69 -1.46 0.62 0.00 -0.02 0.00 0.00 35.03 34.86 3jsm n LYS 424 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3jsm h LEU 425 N 0.00 0.19 -0.74 -0.35 4.07 -1.93 0.40 115.31 116.95 3jsm h LEU 425 Ca 0.00 0.02 -0.13 0.00 0.08 0.00 0.00 57.88 57.84 3jsm h LEU 425 Cb 0.85 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.56 3jsm h LEU 425 CO 0.00 0.08 -0.62 -0.50 -1.08 0.00 0.00 178.44 176.32 3jsm h TRP 426 N 0.19 0.07 0.00 1.13 6.55 -1.81 -3.18 115.95 118.89 3jsm h TRP 426 Ca 0.40 -0.03 0.00 0.00 0.95 0.00 0.00 58.89 60.22 3jsm h TRP 426 Cb 1.30 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 29.59 3jsm h TRP 426 CO -0.00 0.66 -1.68 0.66 -1.05 0.00 0.00 178.44 177.02 3jsm n TYR 427 N -3.82 0.00 0.39 0.49 4.01 -0.69 -4.44 117.16 113.10 3jsm n TYR 427 Ca -0.01 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.76 3jsm n TYR 427 Cb 0.62 -0.35 0.18 0.00 -0.31 0.00 0.00 39.34 39.48 3jsm n TYR 427 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34