#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hjm s TYR 3 N 0.00 3.35 -0.05 0.54 2.02 -1.26 -0.65 117.35 121.30 3hjm s TYR 3 Ca 0.00 0.24 0.00 0.00 -0.37 0.00 0.00 57.07 56.94 3hjm s TYR 3 Cb 0.00 -2.08 0.02 0.00 -0.40 0.00 0.00 41.96 39.50 3hjm s TYR 3 CO 0.00 0.30 -0.02 0.99 -1.57 0.00 0.00 175.55 175.24 3hjm s THR 4 N 0.13 0.44 -0.26 -0.71 2.01 -0.32 -0.58 115.64 116.35 3hjm s THR 4 Ca 0.07 -0.01 -0.10 0.00 0.31 0.00 0.00 61.69 61.96 3hjm s THR 4 Cb -0.12 -0.52 -0.04 0.00 0.01 0.00 0.00 72.50 71.83 3hjm s THR 4 CO -0.00 0.23 0.14 -0.69 -0.69 0.00 0.00 174.62 173.61 3hjm s VAL 5 N 1.30 4.98 -0.30 3.82 1.01 0.19 -0.97 120.40 130.43 3hjm s VAL 5 Ca -0.05 0.05 -0.07 0.00 0.00 0.00 0.00 61.98 61.92 3hjm s VAL 5 Cb -0.13 -3.35 0.01 0.00 0.00 0.00 0.00 36.38 32.91 3hjm s VAL 5 CO -0.02 0.29 0.08 -0.69 0.00 0.00 0.00 175.10 174.76 3hjm s VAL 6 N 1.60 3.94 0.22 2.92 1.01 0.64 -0.13 120.40 130.60 3hjm s VAL 6 Ca 0.07 -0.74 -0.20 0.00 0.00 0.00 0.00 61.98 61.11 3hjm s VAL 6 Cb -0.15 -3.05 0.03 0.00 0.00 0.00 0.00 36.38 33.21 3hjm s VAL 6 CO 0.08 0.05 0.61 -0.47 0.00 0.00 0.00 175.10 175.38 3hjm s TYR 7 N 1.49 -0.22 0.75 5.22 5.04 -0.78 -1.56 117.35 127.30 3hjm s TYR 7 Ca 0.02 -0.14 -0.13 0.00 -2.44 0.00 0.00 57.07 54.39 3hjm s TYR 7 Cb -0.17 0.54 0.05 0.00 0.35 0.00 0.00 41.96 42.73 3hjm s TYR 7 CO 0.02 -1.03 1.13 -0.06 -1.34 0.00 0.00 175.55 174.27 3hjm s PHE 8 N -3.87 2.35 -1.01 4.97 0.08 -1.26 -0.65 117.98 118.59 3hjm s PHE 8 Ca 0.09 1.60 -0.14 0.00 0.12 0.00 0.00 56.93 58.60 3hjm s PHE 8 Cb -0.03 -3.21 -0.08 0.00 -0.57 0.00 0.00 43.02 39.13 3hjm s PHE 8 CO -0.01 -2.06 2.14 -0.35 -0.10 0.00 0.00 175.22 174.84 3hjm n PRO 9 N -3.12 2.12 -4.08 0.24 -0.04 -1.26 -4.79 135.00 124.08 3hjm n PRO 9 Ca 0.11 -1.86 -0.10 0.00 -0.04 0.00 0.00 63.50 61.61 3hjm n PRO 9 Cb 0.52 -2.81 -0.09 0.00 -0.04 0.00 0.00 33.50 31.09 3hjm n PRO 9 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3hjm s VAL 10 N 3.91 0.09 -0.03 0.52 -7.23 -1.26 -4.42 120.40 111.97 3hjm s VAL 10 Ca 0.51 -1.72 -0.02 0.00 -1.81 0.00 0.00 61.98 58.94 3hjm s VAL 10 Cb 0.13 -1.97 -0.01 0.00 0.56 0.00 0.00 36.38 35.09 3hjm s VAL 10 CO 0.02 -0.40 0.15 0.03 -0.31 0.00 0.00 175.10 174.58 3hjm h ARG 11 N 2.75 -0.06 0.00 4.82 3.08 -1.00 -3.46 114.38 120.51 3hjm h ARG 11 Ca -0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.72 3hjm h ARG 11 Cb 1.21 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.27 3hjm h ARG 11 CO 0.55 -0.04 0.00 0.41 -1.07 0.00 0.00 179.97 179.82 3hjm n GLY 12 N 1.53 2.77 0.08 0.04 0.00 0.57 -1.31 105.19 108.87 3hjm n GLY 12 Ca -0.01 0.06 0.15 0.00 0.00 0.00 0.00 46.02 46.23 3hjm n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hjm n ARG 13 N 14.00 0.97 0.00 1.61 1.74 -1.26 -2.67 116.66 131.05 3hjm n ARG 13 Ca 0.00 -0.16 0.10 0.00 -0.77 0.00 0.00 57.85 57.01 3hjm n ARG 13 Cb 0.00 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 29.93 3hjm n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hjm h ALA 15 N 3.32 -0.07 -0.27 0.00 0.00 -1.21 -2.28 119.26 118.75 3hjm h ALA 15 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3hjm h ALA 15 Cb 0.64 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3hjm h ALA 15 CO 0.00 -0.56 0.08 0.00 0.00 0.00 0.00 179.25 178.77 3hjm h ALA 16 N 0.87 0.36 -0.65 0.00 0.00 -1.83 -2.20 119.26 115.81 3hjm h ALA 16 Ca 0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3hjm h ALA 16 Cb 0.13 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3hjm h ALA 16 CO -0.05 -0.00 0.37 1.37 0.00 0.00 0.00 179.25 180.94 3hjm h LEU 17 N 0.28 0.79 -0.37 0.00 8.10 -1.85 0.08 115.31 122.34 3hjm h LEU 17 Ca 0.09 -0.05 -0.02 0.00 0.11 0.00 0.00 57.88 58.00 3hjm h LEU 17 Cb 0.25 -0.20 -0.02 0.00 -0.44 0.00 0.00 40.66 40.26 3hjm h LEU 17 CO -0.00 0.62 0.15 0.03 -4.11 0.00 0.00 178.44 175.13 3hjm h ARG 18 N 0.90 0.56 -0.44 0.17 3.08 -1.29 0.42 114.38 117.77 3hjm h ARG 18 Ca 0.23 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 60.19 3hjm h ARG 18 Cb 0.00 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 3hjm h ARG 18 CO -0.04 0.53 0.28 0.52 -1.07 0.00 0.00 179.97 180.20 3hjm h MET 19 N 0.46 0.56 0.13 0.04 2.86 -1.20 0.18 114.93 117.96 3hjm h MET 19 Ca 0.12 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.75 3hjm h MET 19 Cb 0.19 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 3hjm h MET 19 CO -0.01 0.37 -0.29 1.25 1.06 0.00 0.00 176.91 179.30 3hjm h LEU 20 N 0.58 -0.81 -0.61 1.22 6.46 -0.74 -0.09 115.31 121.31 3hjm h LEU 20 Ca 0.16 0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 58.01 3hjm h LEU 20 Cb -0.05 0.31 -0.03 0.00 -0.73 0.00 0.00 40.66 40.16 3hjm h LEU 20 CO -0.05 -0.38 0.35 -0.07 -0.62 0.00 0.00 178.44 177.67 3hjm h LEU 21 N -0.51 0.76 0.47 2.25 3.38 -0.75 -1.42 115.31 119.49 3hjm h LEU 21 Ca 0.03 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3hjm h LEU 21 Cb 0.53 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3hjm h LEU 21 CO -0.16 0.62 -0.29 0.00 0.09 0.00 0.00 178.44 178.70 3hjm h ALA 22 N 1.17 -0.73 -0.31 1.53 0.00 -0.58 -0.42 119.26 119.93 3hjm h ALA 22 Ca 0.22 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3hjm h ALA 22 Cb 0.02 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3hjm h ALA 22 CO -0.04 -0.92 0.20 0.22 0.00 0.00 0.00 179.25 178.72 3hjm h ASP 23 N -0.72 0.34 -0.05 0.00 3.58 -0.95 -1.71 116.42 116.90 3hjm h ASP 23 Ca -0.05 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.39 3hjm h ASP 23 Cb 0.59 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.56 3hjm h ASP 23 CO 0.05 0.24 0.00 0.00 -2.88 0.00 0.00 179.24 176.66 3hjm n GLN 24 N -4.49 1.24 -2.45 0.28 1.13 -0.54 -4.83 117.38 107.72 3hjm n GLN 24 Ca 0.02 -0.37 -0.14 0.00 -1.94 0.00 0.00 57.00 54.57 3hjm n GLN 24 Cb 0.08 -1.33 0.01 0.00 0.11 0.00 0.00 30.24 29.11 3hjm n GLN 24 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hjm n GLY 25 N 0.91 -0.14 3.92 1.08 0.00 -0.64 -5.03 105.19 105.29 3hjm n GLY 25 Ca 0.15 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 3hjm n GLY 25 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hjm s GLN 26 N -4.91 3.45 0.14 1.61 -1.52 -0.20 -5.04 119.66 113.19 3hjm s GLN 26 Ca 0.08 -0.45 0.06 0.00 -1.95 0.00 0.00 55.36 53.09 3hjm s GLN 26 Cb -0.03 -3.01 -0.04 0.00 -0.22 0.00 0.00 33.01 29.70 3hjm s GLN 26 CO 0.10 0.58 0.04 -1.54 -0.25 0.00 0.00 175.29 174.22 3hjm s SER 27 N -2.66 5.08 0.09 5.90 1.04 -1.26 -4.50 113.70 117.39 3hjm s SER 27 Ca 0.35 -0.24 -0.18 0.00 0.48 0.00 0.00 55.95 56.36 3hjm s SER 27 Cb -0.13 -1.20 0.04 0.00 0.10 0.00 0.00 66.02 64.83 3hjm s SER 27 CO 0.28 0.11 0.43 -1.66 0.98 0.00 0.00 173.24 173.38 3hjm s TRP 28 N -1.59 -0.27 -0.05 5.02 -2.14 -1.26 -4.43 118.94 114.23 3hjm s TRP 28 Ca 0.28 0.10 -0.10 0.00 2.66 0.00 0.00 56.10 59.04 3hjm s TRP 28 Cb -0.10 0.27 -0.05 0.00 -3.10 0.00 0.00 33.47 30.48 3hjm s TRP 28 CO 0.20 -0.65 0.27 0.21 -2.66 0.00 0.00 176.95 174.31 3hjm s LYS 29 N -3.15 3.65 -0.25 3.25 2.20 0.26 -4.99 119.74 120.71 3hjm s LYS 29 Ca -0.01 0.09 -0.10 0.00 -0.36 0.00 0.00 55.97 55.59 3hjm s LYS 29 Cb 0.00 -3.18 -0.04 0.00 -1.51 0.00 0.00 37.83 33.10 3hjm s LYS 29 CO -0.07 0.72 0.14 -1.21 -0.36 0.00 0.00 175.35 174.57 3hjm s GLU 30 N -1.19 3.93 -0.21 4.03 0.41 -1.26 -0.64 118.70 123.77 3hjm s GLU 30 Ca 0.21 -0.34 -0.03 0.00 -0.41 0.00 0.00 54.97 54.39 3hjm s GLU 30 Cb -0.14 -3.50 -0.01 0.00 -1.78 0.00 0.00 34.13 28.70 3hjm s GLU 30 CO 0.10 -0.05 -0.05 -1.21 -0.49 0.00 0.00 175.26 173.56 3hjm s GLU 31 N 1.34 3.39 -0.16 1.61 2.02 0.81 -4.97 118.70 122.74 3hjm s GLU 31 Ca 0.07 -0.63 -0.09 0.00 0.02 0.00 0.00 54.97 54.34 3hjm s GLU 31 Cb -0.15 -2.97 -0.05 0.00 0.10 0.00 0.00 34.13 31.07 3hjm s GLU 31 CO 0.06 -0.14 0.14 0.08 0.02 0.00 0.00 175.26 175.42 3hjm s VAL 32 N 1.33 5.44 -0.25 2.63 1.01 -1.26 -1.86 120.40 127.44 3hjm s VAL 32 Ca 0.04 0.22 -0.05 0.00 0.00 0.00 0.00 61.98 62.19 3hjm s VAL 32 Cb -0.14 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.79 3hjm s VAL 32 CO -0.02 0.51 0.00 -0.69 0.00 0.00 0.00 175.10 174.90 3hjm s VAL 33 N -0.21 3.52 0.63 2.92 1.01 0.17 -4.93 120.40 123.51 3hjm s VAL 33 Ca 0.11 -0.67 -0.15 0.00 0.00 0.00 0.00 61.98 61.27 3hjm s VAL 33 Cb -0.12 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 3hjm s VAL 33 CO 0.01 0.24 1.07 0.42 0.00 0.00 0.00 175.10 176.84 3hjm s THR 34 N 1.46 3.69 0.33 3.92 -4.23 -1.26 -4.06 115.64 115.48 3hjm s THR 34 Ca 0.03 0.75 0.02 0.00 -1.18 0.00 0.00 61.69 61.31 3hjm s THR 34 Cb -0.16 -3.30 0.20 0.00 1.34 0.00 0.00 72.50 70.59 3hjm s THR 34 CO -0.01 -0.52 1.92 0.58 -0.54 0.00 0.00 174.62 176.05 3hjm h VAL 35 N 0.13 1.19 -0.15 2.29 2.07 -1.99 -0.65 116.25 119.13 3hjm h VAL 35 Ca -0.46 -0.57 -0.00 0.00 0.82 0.00 0.00 66.70 66.49 3hjm h VAL 35 Cb 1.23 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 3hjm h VAL 35 CO 0.56 0.23 0.09 -0.33 0.02 0.00 0.00 177.57 178.14 3hjm h GLU 36 N 0.72 0.20 -0.78 1.57 3.07 -1.98 -0.19 114.58 117.19 3hjm h GLU 36 Ca 0.18 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.99 3hjm h GLU 36 Cb 0.14 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 27.97 3hjm h GLU 36 CO -0.02 0.17 0.40 1.15 -1.40 0.00 0.00 179.01 179.31 3hjm h THR 37 N 0.17 1.24 -0.48 1.13 2.02 -1.80 -1.94 112.91 113.25 3hjm h THR 37 Ca 0.05 -0.65 -0.02 0.00 0.77 0.00 0.00 66.41 66.56 3hjm h THR 37 Cb 0.02 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 3hjm h THR 37 CO -0.01 0.28 0.22 -0.25 0.37 0.00 0.00 175.52 176.14 3hjm h TRP 38 N 1.09 0.70 0.00 3.16 2.91 -1.02 -2.91 115.95 119.89 3hjm h TRP 38 Ca 0.27 -0.04 -0.00 0.00 1.13 0.00 0.00 58.89 60.25 3hjm h TRP 38 Cb 0.09 -0.22 -0.00 0.00 -0.51 0.00 0.00 29.16 28.52 3hjm h TRP 38 CO 0.01 0.56 -0.02 1.96 -1.03 0.00 0.00 178.44 179.92 3hjm h GLN 39 N 0.64 0.00 -0.97 2.65 4.20 -0.69 -2.73 115.11 118.20 3hjm h GLN 39 Ca 0.16 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.95 3hjm h GLN 39 Cb 0.13 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.84 3hjm h GLN 39 CO -0.02 0.02 0.62 1.49 -0.67 0.00 0.00 178.83 180.27 3hjm h GLU 40 N 0.00 1.07 0.00 1.46 4.22 -1.14 -3.47 114.58 116.72 3hjm h GLU 40 Ca -0.00 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.38 3hjm h GLU 40 Cb 0.42 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3hjm h GLU 40 CO 0.00 0.71 0.00 0.41 -2.18 0.00 0.00 179.01 177.95 3hjm n GLY 41 N -1.35 2.51 0.06 1.92 0.00 -1.03 -4.97 105.19 102.32 3hjm n GLY 41 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 3hjm n GLY 41 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3hjm h SER 42 N 0.38 -0.02 -0.36 1.61 0.87 -1.83 0.40 113.55 114.60 3hjm h SER 42 Ca 0.00 -0.21 0.01 0.00 -1.23 0.00 0.00 61.79 60.37 3hjm h SER 42 Cb 0.00 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 3hjm h SER 42 CO 0.00 0.19 0.22 0.25 -0.53 0.00 0.00 176.83 176.96 3hjm h LEU 43 N -0.24 0.36 -1.16 2.23 5.85 -1.90 -2.77 115.31 117.69 3hjm h LEU 43 Ca -0.00 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3hjm h LEU 43 Cb 0.23 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 3hjm h LEU 43 CO 0.00 0.26 0.31 0.50 -0.34 0.00 0.00 178.44 179.17 3hjm h LYS 44 N 0.44 0.90 0.00 1.25 3.64 -1.79 -0.40 116.57 120.60 3hjm h LYS 44 Ca 0.14 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 3hjm h LYS 44 Cb -0.01 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 3hjm h LYS 44 CO -0.05 0.69 -0.19 0.00 -2.27 0.00 0.00 179.45 177.63 3hjm h ALA 45 N 1.44 1.23 -0.00 5.00 0.00 -0.89 -2.88 119.26 123.16 3hjm h ALA 45 Ca 0.22 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hjm h ALA 45 Cb 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3hjm h ALA 45 CO -0.03 0.24 -0.15 -1.13 0.00 0.00 0.00 179.25 178.18 3hjm n SER 46 N -3.65 0.20 -4.77 0.00 3.41 -0.19 -4.87 113.62 103.76 3hjm n SER 46 Ca -0.01 0.09 -0.39 0.00 -0.26 0.00 0.00 58.87 58.30 3hjm n SER 46 Cb 0.32 -0.22 -0.06 0.00 -0.26 0.00 0.00 64.21 63.99 3hjm n SER 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hjm h LEU 48 N 5.35 -1.24 -3.38 0.00 5.85 -1.88 -1.05 115.31 118.96 3hjm h LEU 48 Ca -0.46 0.27 -0.18 0.00 0.84 0.00 0.00 57.88 58.35 3hjm h LEU 48 Cb 1.20 0.65 -0.11 0.00 0.37 0.00 0.00 40.66 42.78 3hjm h LEU 48 CO 0.68 -0.29 -0.02 -1.22 -0.34 0.00 0.00 178.44 177.25 3hjm n TYR 49 N -5.47 1.21 -2.50 1.25 4.01 -1.26 -4.96 117.16 109.44 3hjm n TYR 49 Ca 0.08 -1.51 -0.20 0.00 -0.16 0.00 0.00 57.90 56.11 3hjm n TYR 49 Cb 0.39 -0.50 -0.00 0.00 -0.31 0.00 0.00 39.34 38.91 3hjm n TYR 49 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hjm n GLY 50 N -1.04 -0.50 3.06 2.72 0.00 -0.40 -4.97 105.19 104.06 3hjm n GLY 50 Ca 0.33 0.02 -0.09 0.00 0.00 0.00 0.00 46.02 46.28 3hjm n GLY 50 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hjm s GLN 51 N -5.14 0.49 0.36 1.61 -0.21 -1.26 -4.96 119.66 110.54 3hjm s GLN 51 Ca 0.04 -0.80 0.07 0.00 0.02 0.00 0.00 55.36 54.70 3hjm s GLN 51 Cb -0.02 0.18 -0.01 0.00 1.00 0.00 0.00 33.01 34.16 3hjm s GLN 51 CO 0.05 -0.10 0.40 -0.51 -2.12 0.00 0.00 175.29 173.02 3hjm s LEU 52 N -2.04 3.72 0.68 2.90 1.43 -1.26 -4.65 118.68 119.46 3hjm s LEU 52 Ca -0.06 -0.41 -0.17 0.00 -1.03 0.00 0.00 54.13 52.46 3hjm s LEU 52 Cb -0.02 -2.45 0.01 0.00 0.03 0.00 0.00 46.19 43.76 3hjm s LEU 52 CO -0.04 -0.47 1.24 -2.16 0.23 0.00 0.00 176.35 175.15 3hjm s PRO 53 N -4.12 2.41 -0.04 1.29 0.04 -1.26 -4.93 135.00 128.39 3hjm s PRO 53 Ca 0.45 1.90 0.06 0.00 0.04 0.00 0.00 61.00 63.45 3hjm s PRO 53 Cb -0.07 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 3hjm s PRO 53 CO 0.29 -1.66 -0.23 0.21 0.04 0.00 0.00 177.00 175.65 3hjm s LYS 54 N -3.61 2.36 0.03 4.56 2.20 -0.60 -3.94 119.74 120.73 3hjm s LYS 54 Ca 0.78 -0.87 0.04 0.00 -0.36 0.00 0.00 55.97 55.56 3hjm s LYS 54 Cb -0.33 -2.16 -0.02 0.00 -1.51 0.00 0.00 37.83 33.81 3hjm s LYS 54 CO 0.41 0.51 -0.12 0.12 -0.36 0.00 0.00 175.35 175.92 3hjm s PHE 55 N -0.47 1.03 -0.08 4.03 5.36 0.12 -0.26 117.98 127.70 3hjm s PHE 55 Ca 0.06 -0.33 0.01 0.00 -0.96 0.00 0.00 56.93 55.71 3hjm s PHE 55 Cb -0.11 -0.62 0.02 0.00 -0.34 0.00 0.00 43.02 41.96 3hjm s PHE 55 CO 0.01 0.01 -0.11 -0.65 -1.46 0.00 0.00 175.22 173.02 3hjm s GLN 56 N -0.99 1.64 -0.44 10.12 -0.21 -0.14 -0.21 119.66 129.43 3hjm s GLN 56 Ca 0.00 -0.36 0.04 0.00 0.02 0.00 0.00 55.36 55.06 3hjm s GLN 56 Cb -0.07 -1.47 0.12 0.00 1.00 0.00 0.00 33.01 32.59 3hjm s GLN 56 CO 0.01 -0.08 0.17 0.34 -2.12 0.00 0.00 175.29 173.61 3hjm s ASP 57 N 1.04 4.42 1.60 5.90 -1.08 -0.25 -1.18 116.67 127.11 3hjm s ASP 57 Ca -0.07 -2.59 0.00 0.00 -0.52 0.00 0.00 52.55 49.36 3hjm s ASP 57 Cb -0.15 -1.55 0.00 0.00 -1.46 0.00 0.00 42.92 39.76 3hjm s ASP 57 CO -0.01 -0.30 0.00 0.61 0.52 0.00 0.00 175.17 175.99 3hjm n GLY 58 N 3.66 3.47 0.23 2.66 0.00 0.17 -1.33 105.19 114.05 3hjm n GLY 58 Ca 0.05 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.15 3hjm n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hjm n ASP 59 N 4.62 0.71 -4.61 1.61 5.75 -1.26 -4.78 116.55 118.58 3hjm n ASP 59 Ca 0.00 -1.36 -0.42 0.00 -0.01 0.00 0.00 54.79 53.00 3hjm n ASP 59 Cb 0.00 -0.02 -0.04 0.00 -1.03 0.00 0.00 41.12 40.03 3hjm n ASP 59 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3hjm s LEU 60 N -1.82 4.05 -0.20 -2.12 2.96 -0.44 -5.04 118.68 116.05 3hjm s LEU 60 Ca 0.38 0.66 -0.07 0.00 -0.22 0.00 0.00 54.13 54.87 3hjm s LEU 60 Cb 0.19 -3.20 -0.04 0.00 0.50 0.00 0.00 46.19 43.65 3hjm s LEU 60 CO 0.31 -0.74 0.06 -0.89 -1.32 0.00 0.00 176.35 173.76 3hjm s THR 61 N 3.23 4.60 0.09 3.68 2.01 -1.26 -1.09 115.64 126.89 3hjm s THR 61 Ca 0.36 -0.09 0.09 0.00 0.31 0.00 0.00 61.69 62.35 3hjm s THR 61 Cb -0.13 -3.09 -0.03 0.00 0.01 0.00 0.00 72.50 69.26 3hjm s THR 61 CO 0.15 0.42 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.52 3hjm s LEU 62 N 0.75 2.27 0.25 4.42 1.43 0.71 -4.98 118.68 123.54 3hjm s LEU 62 Ca 0.03 -0.66 0.07 0.00 -1.03 0.00 0.00 54.13 52.54 3hjm s LEU 62 Cb -0.13 -0.98 -0.05 0.00 0.03 0.00 0.00 46.19 45.05 3hjm s LEU 62 CO 0.02 0.11 -0.09 -0.31 0.23 0.00 0.00 176.35 176.31 3hjm s TYR 63 N -1.06 1.86 0.00 0.29 2.02 -1.26 -0.70 117.35 118.51 3hjm s TYR 63 Ca 0.08 -0.65 0.00 0.00 -0.37 0.00 0.00 57.07 56.13 3hjm s TYR 63 Cb -0.10 -0.99 0.00 0.00 -0.40 0.00 0.00 41.96 40.47 3hjm s TYR 63 CO 0.04 0.31 0.00 1.04 -1.57 0.00 0.00 175.55 175.37 3hjm n GLN 64 N -0.51 0.00 -0.33 -0.62 1.13 -1.25 -4.65 117.38 111.15 3hjm n GLN 64 Ca -0.06 0.31 0.18 0.00 -1.94 0.00 0.00 57.00 55.49 3hjm n GLN 64 Cb 0.62 -0.47 0.39 0.00 0.11 0.00 0.00 30.24 30.89 3hjm n GLN 64 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3hjm h SER 65 N 0.00 0.47 1.33 1.08 4.64 -1.88 -0.20 113.55 118.99 3hjm h SER 65 Ca 0.00 0.17 -0.07 0.00 -0.47 0.00 0.00 61.79 61.42 3hjm h SER 65 Cb 0.00 0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 3hjm h SER 65 CO 0.00 -0.03 -0.31 0.78 -0.87 0.00 0.00 176.83 176.40 3hjm h ASN 66 N 0.41 0.00 -0.34 4.97 4.21 -1.92 -1.42 115.58 121.49 3hjm h ASN 66 Ca 0.65 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 58.11 3hjm h ASN 66 Cb 1.33 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.51 3hjm h ASN 66 CO -0.55 0.31 0.03 0.74 -1.29 0.00 0.00 177.43 176.67 3hjm h THR 67 N 0.00 1.25 -0.53 2.81 2.02 -1.33 -1.28 112.91 115.84 3hjm h THR 67 Ca -0.00 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 66.29 3hjm h THR 67 Cb 1.06 1.17 -0.03 0.00 -1.74 0.00 0.00 68.15 68.61 3hjm h THR 67 CO 0.04 0.29 0.34 0.40 0.37 0.00 0.00 175.52 176.96 3hjm h ILE 68 N 0.39 1.15 -0.39 3.11 2.04 -0.97 0.18 117.51 123.02 3hjm h ILE 68 Ca 0.10 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 3hjm h ILE 68 Cb 0.39 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 3hjm h ILE 68 CO 0.01 0.15 0.16 -0.07 0.00 0.00 0.00 178.15 178.40 3hjm h LEU 69 N 0.72 0.54 -1.15 1.44 3.38 -1.23 -0.49 115.31 118.52 3hjm h LEU 69 Ca 0.19 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3hjm h LEU 69 Cb -0.04 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3hjm h LEU 69 CO -0.04 0.56 0.02 0.03 0.09 0.00 0.00 178.44 179.10 3hjm h ARG 70 N 0.49 0.61 0.26 1.13 3.08 -0.99 1.00 114.38 119.96 3hjm h ARG 70 Ca 0.13 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3hjm h ARG 70 Cb 0.19 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3hjm h ARG 70 CO -0.01 0.62 -0.12 1.25 -1.07 0.00 0.00 179.97 180.63 3hjm h HIS 71 N 0.58 -0.32 -0.83 3.04 2.76 -0.07 -0.45 115.15 119.86 3hjm h HIS 71 Ca 0.12 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 3hjm h HIS 71 Cb 0.34 0.11 -0.04 0.00 1.55 0.00 0.00 27.41 29.37 3hjm h HIS 71 CO 0.01 -0.07 0.50 -0.07 -1.30 0.00 0.00 177.93 177.00 3hjm h LEU 72 N -0.54 1.00 -0.31 0.26 3.38 -1.02 0.55 115.31 118.63 3hjm h LEU 72 Ca -0.04 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3hjm h LEU 72 Cb 0.40 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3hjm h LEU 72 CO 0.06 0.77 0.19 1.23 0.09 0.00 0.00 178.44 180.78 3hjm h GLY 73 N 1.17 0.45 0.91 0.83 0.00 -0.69 0.99 103.07 106.72 3hjm h GLY 73 Ca 0.30 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.45 3hjm h GLY 73 CO -0.06 0.18 0.05 -0.09 0.00 0.00 0.00 176.54 176.62 3hjm h ARG 74 N 0.41 0.15 -0.10 4.80 2.43 -0.71 0.59 114.38 121.94 3hjm h ARG 74 Ca 0.11 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 59.09 3hjm h ARG 74 Cb -0.01 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 3hjm h ARG 74 CO -0.02 0.21 -0.64 1.79 -1.51 0.00 0.00 179.97 179.80 3hjm h THR 75 N 0.05 1.36 -0.15 0.20 1.35 -0.76 -3.27 112.91 111.71 3hjm h THR 75 Ca 0.04 -2.00 0.00 0.00 -0.55 0.00 0.00 66.41 63.90 3hjm h THR 75 Cb 0.11 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 3hjm h THR 75 CO -0.00 0.60 0.00 0.18 -0.25 0.00 0.00 175.52 176.05 3hjm n LEU 76 N -3.88 2.80 -1.34 3.87 4.77 0.33 -4.96 117.00 118.58 3hjm n LEU 76 Ca -0.03 -1.05 -0.05 0.00 -0.03 0.00 0.00 56.01 54.85 3hjm n LEU 76 Cb 0.65 -0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.68 3hjm n LEU 76 CO 0.47 0.52 0.04 0.61 -1.33 0.00 0.00 177.39 177.70 3hjm n GLY 77 N 1.35 0.47 2.64 -0.72 0.00 -0.83 -5.00 105.19 103.11 3hjm n GLY 77 Ca 0.17 -0.42 -0.25 0.00 0.00 0.00 0.00 46.02 45.52 3hjm n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hjm n LEU 78 N -1.59 4.14 -1.21 0.99 4.77 0.20 -4.73 117.00 119.56 3hjm n LEU 78 Ca -0.03 -5.25 -0.00 0.00 -0.03 0.00 0.00 56.01 50.71 3hjm n LEU 78 Cb 0.52 -0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 41.25 3hjm n LEU 78 CO 0.14 2.23 0.18 0.00 -1.33 0.00 0.00 177.39 178.61 3hjm n TYR 79 N -0.32 0.00 0.00 -1.77 4.19 -1.25 -1.07 117.16 116.94 3hjm n TYR 79 Ca 0.33 -0.44 0.00 0.00 3.31 0.00 0.00 57.90 61.10 3hjm n TYR 79 Cb 0.58 0.09 0.00 0.00 0.49 0.00 0.00 39.34 40.50 3hjm n TYR 79 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3hjm n GLY 80 N 0.27 -1.10 0.09 2.98 0.00 -1.26 -3.75 105.19 102.43 3hjm n GLY 80 Ca -0.06 -1.62 0.12 0.00 0.00 0.00 0.00 46.02 44.47 3hjm n GLY 80 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3hjm h LYS 81 N 0.00 0.00 0.00 1.61 2.10 -1.95 -3.46 116.57 114.87 3hjm h LYS 81 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 3hjm h LYS 81 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3hjm h LYS 81 CO 0.00 0.00 0.09 -0.40 -2.00 0.00 0.00 179.45 177.14 3hjm n ASP 82 N -2.25 -0.72 -0.28 7.07 5.68 -1.26 -5.05 116.55 119.73 3hjm n ASP 82 Ca 0.04 -1.50 -0.05 0.00 -0.50 0.00 0.00 54.79 52.78 3hjm n ASP 82 Cb 0.44 1.20 0.06 0.00 -1.14 0.00 0.00 41.12 41.69 3hjm n ASP 82 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 3hjm h GLN 83 N 0.00 1.06 -0.28 0.11 4.20 -1.92 -1.24 115.11 117.04 3hjm h GLN 83 Ca -0.11 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.47 3hjm h GLN 83 Cb 0.39 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 3hjm h GLN 83 CO 0.13 0.78 0.10 1.96 -0.67 0.00 0.00 178.83 181.13 3hjm h GLN 84 N 1.05 0.43 -0.67 1.46 4.20 -1.98 -2.10 115.11 117.51 3hjm h GLN 84 Ca 0.27 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 3hjm h GLN 84 Cb 0.02 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 3hjm h GLN 84 CO -0.05 0.47 0.33 0.93 -0.67 0.00 0.00 178.83 179.85 3hjm h GLU 85 N 0.29 0.94 -0.67 1.46 5.08 -1.90 -1.93 114.58 117.85 3hjm h GLU 85 Ca 0.09 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3hjm h GLU 85 Cb 0.22 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 3hjm h GLU 85 CO -0.00 0.72 0.43 0.00 -1.00 0.00 0.00 179.01 179.16 3hjm h ALA 86 N 1.42 0.85 -0.53 3.43 0.00 -1.05 0.23 119.26 123.60 3hjm h ALA 86 Ca 0.23 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3hjm h ALA 86 Cb 0.08 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3hjm h ALA 86 CO -0.03 0.29 0.33 0.00 0.00 0.00 0.00 179.25 179.84 3hjm h ALA 87 N 1.23 0.68 -0.76 0.00 0.00 -1.13 -1.04 119.26 118.25 3hjm h ALA 87 Ca 0.24 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3hjm h ALA 87 Cb -0.08 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 3hjm h ALA 87 CO -0.05 0.15 0.27 -0.07 0.00 0.00 0.00 179.25 179.55 3hjm h LEU 88 N 0.72 1.07 -0.33 0.00 3.38 -0.77 -0.10 115.31 119.28 3hjm h LEU 88 Ca 0.19 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 58.02 3hjm h LEU 88 Cb -0.03 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.40 3hjm h LEU 88 CO -0.04 0.97 0.11 0.58 0.09 0.00 0.00 178.44 180.16 3hjm h VAL 89 N 1.11 0.91 -0.53 1.22 2.07 -0.39 -1.03 116.25 119.61 3hjm h VAL 89 Ca 0.25 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.71 3hjm h VAL 89 Cb 0.26 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 3hjm h VAL 89 CO -0.01 0.05 0.31 0.44 0.02 0.00 0.00 177.57 178.37 3hjm h ASP 90 N 0.25 0.49 -0.66 0.57 3.32 -0.86 -0.53 116.42 119.00 3hjm h ASP 90 Ca 0.15 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.25 3hjm h ASP 90 Cb 0.12 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.53 3hjm h ASP 90 CO -0.15 0.35 0.38 -0.03 -1.72 0.00 0.00 179.24 178.07 3hjm h MET 91 N 0.61 0.71 0.33 3.56 4.05 -0.54 0.30 114.93 123.96 3hjm h MET 91 Ca 0.22 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.58 3hjm h MET 91 Cb 0.04 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 30.68 3hjm h MET 91 CO -0.10 0.47 -0.16 0.28 0.23 0.00 0.00 176.91 177.63 3hjm h VAL 92 N 0.73 0.69 -0.99 -5.77 2.07 -1.01 -2.76 116.25 109.21 3hjm h VAL 92 Ca 0.28 -0.14 0.09 0.00 0.82 0.00 0.00 66.70 67.76 3hjm h VAL 92 Cb 0.11 0.77 -0.08 0.00 -1.52 0.00 0.00 31.29 30.57 3hjm h VAL 92 CO -0.14 0.03 0.63 -1.13 0.02 0.00 0.00 177.57 176.98 3hjm h ASN 93 N -0.51 0.97 -0.77 0.57 -0.73 -0.83 -0.01 115.58 114.26 3hjm h ASN 93 Ca -0.05 0.03 -0.04 0.00 1.87 0.00 0.00 56.30 58.12 3hjm h ASN 93 Cb 0.38 -0.17 -0.03 0.00 0.27 0.00 0.00 38.32 38.77 3hjm h ASN 93 CO 0.07 0.56 0.33 0.44 -0.37 0.00 0.00 177.43 178.47 3hjm h ASP 94 N 1.07 1.05 -0.51 1.15 3.32 -0.92 -0.51 116.42 121.06 3hjm h ASP 94 Ca 0.46 -0.16 -0.06 0.00 0.02 0.00 0.00 57.03 57.30 3hjm h ASP 94 Cb 0.33 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3hjm h ASP 94 CO -0.22 0.92 0.09 1.23 -1.72 0.00 0.00 179.24 179.54 3hjm h GLY 95 N 1.11 0.90 0.60 2.75 0.00 -1.06 -1.56 103.07 105.81 3hjm h GLY 95 Ca 0.26 -0.59 0.04 0.00 0.00 0.00 0.00 47.33 47.05 3hjm h GLY 95 CO -0.03 0.54 -0.00 -2.08 0.00 0.00 0.00 176.54 174.98 3hjm h VAL 96 N 0.71 0.82 -0.73 4.60 2.07 -0.76 -2.63 116.25 120.33 3hjm h VAL 96 Ca 0.16 -0.03 0.07 0.00 0.82 0.00 0.00 66.70 67.72 3hjm h VAL 96 Cb 0.38 0.73 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 3hjm h VAL 96 CO 0.01 0.01 0.41 -0.08 0.02 0.00 0.00 177.57 177.94 3hjm h GLU 97 N 0.08 0.72 -0.10 1.57 4.57 -0.91 -1.30 114.58 119.21 3hjm h GLU 97 Ca 0.12 -0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.27 3hjm h GLU 97 Cb 0.16 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 3hjm h GLU 97 CO -0.21 0.48 -0.00 -0.44 -1.18 0.00 0.00 179.01 177.66 3hjm h ASP 98 N 0.74 -0.04 -0.64 1.04 3.32 -1.06 -1.62 116.42 118.17 3hjm h ASP 98 Ca 0.33 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.33 3hjm h ASP 98 Cb 0.22 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 3hjm h ASP 98 CO -0.20 -0.00 0.14 0.25 -1.72 0.00 0.00 179.24 177.71 3hjm h LEU 99 N 0.03 1.00 -0.97 1.55 5.85 -1.30 -2.90 115.31 118.57 3hjm h LEU 99 Ca 0.05 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.56 3hjm h LEU 99 Cb 0.05 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 3hjm h LEU 99 CO -0.08 0.97 0.64 -0.09 -0.34 0.00 0.00 178.44 179.54 3hjm h ARG 100 N 1.00 1.29 -0.65 1.25 2.43 -0.98 0.22 114.38 118.94 3hjm h ARG 100 Ca 0.21 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.30 3hjm h ARG 100 Cb 0.38 -0.29 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 3hjm h ARG 100 CO 0.00 0.86 0.42 0.00 -1.51 0.00 0.00 179.97 179.75 3hjm h LYS 102 N 0.86 0.82 -0.20 0.00 1.57 -1.17 0.22 116.57 118.68 3hjm h LYS 102 Ca 0.24 -0.18 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 3hjm h LYS 102 Cb -0.08 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 3hjm h LYS 102 CO -0.06 0.76 0.08 -0.92 -0.57 0.00 0.00 179.45 178.73 3hjm h TYR 103 N 0.72 0.14 -0.61 -1.35 3.20 -0.12 -1.93 116.97 117.02 3hjm h TYR 103 Ca 0.17 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 3hjm h TYR 103 Cb 0.28 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 3hjm h TYR 103 CO 0.02 0.07 0.11 0.82 -1.64 0.00 0.00 178.16 177.54 3hjm h ILE 104 N 0.18 1.25 -0.49 1.81 2.04 0.01 -1.58 117.51 120.73 3hjm h ILE 104 Ca 0.08 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 3hjm h ILE 104 Cb 0.04 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 3hjm h ILE 104 CO -0.08 0.36 0.28 -1.28 0.00 0.00 0.00 178.15 177.43 3hjm h SER 105 N 0.94 0.61 -0.00 1.72 0.87 -0.77 -0.47 113.55 116.44 3hjm h SER 105 Ca 0.19 -0.08 0.03 0.00 -1.23 0.00 0.00 61.79 60.70 3hjm h SER 105 Cb 0.39 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 62.16 3hjm h SER 105 CO 0.01 0.51 -0.19 0.25 -0.53 0.00 0.00 176.83 176.88 3hjm h LEU 106 N 0.66 -0.54 -0.17 2.23 5.85 -1.17 0.53 115.31 122.69 3hjm h LEU 106 Ca 0.17 0.08 0.03 0.00 0.84 0.00 0.00 57.88 59.00 3hjm h LEU 106 Cb 0.03 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 3hjm h LEU 106 CO -0.03 -0.25 -0.01 0.40 -0.34 0.00 0.00 178.44 178.21 3hjm h ILE 107 N -0.30 0.87 0.18 4.05 1.08 -0.97 0.11 117.51 122.54 3hjm h ILE 107 Ca 0.06 -0.02 -0.35 0.00 -0.39 0.00 0.00 64.86 64.16 3hjm h ILE 107 Cb 0.38 0.82 0.01 0.00 -3.07 0.00 0.00 36.82 34.95 3hjm h ILE 107 CO -0.18 0.01 -1.74 0.58 -0.69 0.00 0.00 178.15 176.13 3hjm h VAL 108 N 0.05 0.95 0.00 1.67 2.07 -1.10 -3.40 116.25 116.48 3hjm h VAL 108 Ca 0.08 -2.53 0.00 0.00 0.82 0.00 0.00 66.70 65.07 3hjm h VAL 108 Cb 0.10 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 3hjm h VAL 108 CO -0.14 0.86 -1.28 0.35 0.02 0.00 0.00 177.57 177.37 3hjm n THR 109 N -3.58 0.00 -2.17 2.57 -2.24 0.17 -4.86 114.28 104.16 3hjm n THR 109 Ca -0.24 -0.25 -0.03 0.00 -2.27 0.00 0.00 64.05 61.25 3hjm n THR 109 Cb 1.08 0.42 -0.04 0.00 -2.10 0.00 0.00 70.33 69.68 3hjm n THR 109 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3hjm n ASN 110 N -1.74 -0.37 -0.20 3.42 5.15 -0.91 -5.00 115.26 115.60 3hjm n ASN 110 Ca -0.01 -2.00 -0.04 0.00 -0.60 0.00 0.00 54.58 51.93 3hjm n ASN 110 Cb 0.26 0.12 0.02 0.00 -0.53 0.00 0.00 39.78 39.65 3hjm n ASN 110 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 3hjm h TYR 111 N 0.35 -0.75 0.15 1.20 3.20 -1.01 0.59 116.97 120.69 3hjm h TYR 111 Ca -0.46 0.07 -0.01 0.00 3.14 0.00 0.00 58.73 61.47 3hjm h TYR 111 Cb 1.56 0.42 0.00 0.00 1.54 0.00 0.00 36.73 40.25 3hjm h TYR 111 CO -0.07 -0.35 -0.07 0.93 -1.64 0.00 0.00 178.16 176.96 3hjm h GLU 112 N -0.13 -0.19 0.00 1.82 4.39 -1.95 -2.38 114.58 116.14 3hjm h GLU 112 Ca 0.25 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.93 3hjm h GLU 112 Cb 0.53 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.22 3hjm h GLU 112 CO -0.66 0.25 -0.16 0.00 -1.16 0.00 0.00 179.01 177.28 3hjm h ALA 113 N -0.11 0.95 0.00 3.43 0.00 -1.98 -3.37 119.26 118.18 3hjm h ALA 113 Ca -0.02 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 3hjm h ALA 113 Cb 0.53 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3hjm h ALA 113 CO 0.03 0.20 -1.63 0.41 0.00 0.00 0.00 179.25 178.26 3hjm n GLY 114 N 0.53 -1.18 0.26 0.00 0.00 0.20 -4.65 105.19 100.36 3hjm n GLY 114 Ca 0.02 -0.29 -0.03 0.00 0.00 0.00 0.00 46.02 45.71 3hjm n GLY 114 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3hjm h LYS 115 N 0.00 0.76 -0.20 1.61 3.64 -1.59 0.20 116.57 120.99 3hjm h LYS 115 Ca -0.13 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.18 3hjm h LYS 115 Cb 1.37 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 3hjm h LYS 115 CO 0.02 0.50 0.06 0.38 -2.27 0.00 0.00 179.45 178.14 3hjm h ASP 116 N 0.78 0.30 -0.84 4.20 2.03 -1.86 0.18 116.42 121.21 3hjm h ASP 116 Ca 0.27 -0.21 -0.00 0.00 -0.73 0.00 0.00 57.03 56.36 3hjm h ASP 116 Cb 0.06 -0.08 -0.04 0.00 -0.83 0.00 0.00 39.33 38.44 3hjm h ASP 116 CO -0.12 0.43 0.51 0.44 -1.03 0.00 0.00 179.24 179.47 3hjm h ASP 117 N 0.15 1.00 0.13 4.15 3.32 -1.78 0.36 116.42 123.75 3hjm h ASP 117 Ca 0.06 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 3hjm h ASP 117 Cb 0.24 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3hjm h ASP 117 CO -0.00 0.76 -0.06 0.22 -1.72 0.00 0.00 179.24 178.43 3hjm h TYR 118 N 1.15 -0.17 -0.08 4.55 3.20 -0.75 -0.89 116.97 123.99 3hjm h TYR 118 Ca 0.30 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.14 3hjm h TYR 118 Cb -0.06 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 3hjm h TYR 118 CO -0.00 0.02 -0.07 0.28 -1.64 0.00 0.00 178.16 176.75 3hjm h VAL 119 N -0.33 1.10 -0.34 1.81 2.07 -0.56 0.11 116.25 120.11 3hjm h VAL 119 Ca -0.02 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 67.04 3hjm h VAL 119 Cb 0.26 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3hjm h VAL 119 CO 0.03 0.13 0.02 0.50 0.02 0.00 0.00 177.57 178.27 3hjm h LYS 120 N 0.11 0.58 0.00 1.57 3.64 -0.62 -2.84 116.57 119.00 3hjm h LYS 120 Ca 0.02 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.19 3hjm h LYS 120 Cb 0.19 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3hjm h LYS 120 CO 0.01 0.69 -0.17 0.00 -2.27 0.00 0.00 179.45 177.71 3hjm h ALA 121 N 0.87 1.07 -0.42 5.00 0.00 -0.72 -3.39 119.26 121.67 3hjm h ALA 121 Ca 0.10 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.93 3hjm h ALA 121 Cb 0.42 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.09 3hjm h ALA 121 CO 0.01 0.22 -0.30 1.25 0.00 0.00 0.00 179.25 180.43 3hjm h LEU 122 N 0.00 -1.02 -1.01 0.00 5.85 -0.54 -2.81 115.31 115.78 3hjm h LEU 122 Ca -0.00 0.19 0.07 0.00 0.84 0.00 0.00 57.88 58.98 3hjm h LEU 122 Cb 0.63 0.49 -0.07 0.00 0.37 0.00 0.00 40.66 42.08 3hjm h LEU 122 CO 0.02 -0.31 0.65 -0.65 -0.34 0.00 0.00 178.44 177.82 3hjm h PRO 123 N -0.22 1.12 -0.54 5.25 0.11 -1.76 -0.04 132.00 135.91 3hjm h PRO 123 Ca 0.18 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.20 3hjm h PRO 123 Cb 0.52 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 31.36 3hjm h PRO 123 CO -0.54 0.74 0.23 0.78 -0.21 0.00 0.00 178.00 179.00 3hjm h GLY 124 N 1.15 0.83 1.70 -0.55 0.00 -1.80 0.85 103.07 105.25 3hjm h GLY 124 Ca 0.45 -0.40 -0.13 0.00 0.00 0.00 0.00 47.33 47.24 3hjm h GLY 124 CO -0.19 0.38 -0.48 1.46 0.00 0.00 0.00 176.54 177.72 3hjm h GLN 125 N 0.77 0.33 0.17 4.80 1.08 -0.93 -3.29 115.11 118.04 3hjm h GLN 125 Ca 0.19 -0.18 -0.29 0.00 -1.45 0.00 0.00 58.65 56.91 3hjm h GLN 125 Cb 0.13 0.01 0.01 0.00 -0.05 0.00 0.00 27.48 27.59 3hjm h GLN 125 CO -0.02 0.74 -1.32 -0.07 -0.95 0.00 0.00 178.83 177.21 3hjm h LEU 126 N 0.26 0.55 -0.99 1.46 3.38 -0.82 -3.39 115.31 115.77 3hjm h LEU 126 Ca 0.01 -0.59 0.26 0.00 0.09 0.00 0.00 57.88 57.65 3hjm h LEU 126 Cb 0.94 -0.18 -0.13 0.00 0.09 0.00 0.00 40.66 41.38 3hjm h LEU 126 CO 0.08 1.46 0.57 0.50 0.09 0.00 0.00 178.44 181.14 3hjm h LYS 127 N 0.10 0.50 -0.85 1.13 3.64 -0.90 -1.10 116.57 119.08 3hjm h LYS 127 Ca -0.17 -0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.30 3hjm h LYS 127 Cb 2.03 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 33.68 3hjm h LYS 127 CO 0.22 0.33 0.55 -1.35 -2.27 0.00 0.00 179.45 176.94 3hjm h PRO 128 N 0.52 0.67 -0.01 1.90 0.11 -1.75 0.20 132.00 133.64 3hjm h PRO 128 Ca 0.65 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 66.55 3hjm h PRO 128 Cb 1.28 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3hjm h PRO 128 CO -0.51 0.45 -0.76 0.74 -0.21 0.00 0.00 178.00 177.71 3hjm h PHE 129 N 0.69 0.11 -0.24 0.65 0.04 -1.49 -0.48 116.94 116.23 3hjm h PHE 129 Ca 0.41 -0.06 -0.09 0.00 2.80 0.00 0.00 57.97 61.04 3hjm h PHE 129 Cb 0.62 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.75 3hjm h PHE 129 CO -0.00 0.81 -0.19 1.49 -0.60 0.00 0.00 178.31 179.82 3hjm h GLU 130 N 0.05 0.55 -0.12 1.51 4.57 -1.01 -2.38 114.58 117.75 3hjm h GLU 130 Ca -0.02 -0.27 0.04 0.00 -1.18 0.00 0.00 59.36 57.93 3hjm h GLU 130 Cb 1.34 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.89 3hjm h GLU 130 CO 0.11 0.85 -0.15 1.15 -1.18 0.00 0.00 179.01 179.78 3hjm h THR 131 N 0.25 0.59 -0.36 0.32 2.02 -0.50 -1.17 112.91 114.05 3hjm h THR 131 Ca 0.04 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.30 3hjm h THR 131 Cb 0.73 0.59 -0.07 0.00 -1.74 0.00 0.00 68.15 67.66 3hjm h THR 131 CO 0.05 0.00 -0.11 -0.07 0.37 0.00 0.00 175.52 175.76 3hjm h LEU 132 N -0.20 -0.40 -0.72 2.58 3.38 -1.08 -1.98 115.31 116.90 3hjm h LEU 132 Ca 0.09 0.12 0.10 0.00 0.09 0.00 0.00 57.88 58.28 3hjm h LEU 132 Cb 0.33 0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.25 3hjm h LEU 132 CO -0.24 -0.14 0.35 -0.07 0.09 0.00 0.00 178.44 178.43 3hjm h LEU 133 N -0.03 0.45 -1.83 1.67 3.38 -1.15 -2.51 115.31 115.29 3hjm h LEU 133 Ca 0.18 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 3hjm h LEU 133 Cb 0.30 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3hjm h LEU 133 CO -0.39 0.25 0.05 0.77 0.09 0.00 0.00 178.44 179.22 3hjm h SER 134 N 0.59 0.14 -0.02 -0.43 4.64 -0.45 0.13 113.55 118.16 3hjm h SER 134 Ca 0.36 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 3hjm h SER 134 Cb 0.40 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3hjm h SER 134 CO -0.28 0.13 0.00 0.00 -0.87 0.00 0.00 176.83 175.81 3hjm n GLN 135 N -4.49 1.71 -3.96 4.77 6.02 -0.96 -3.61 117.38 116.85 3hjm n GLN 135 Ca -0.01 -1.03 -0.32 0.00 -0.01 0.00 0.00 57.00 55.63 3hjm n GLN 135 Cb 0.10 -1.48 -0.14 0.00 1.02 0.00 0.00 30.24 29.74 3hjm n GLN 135 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3hjm s ASN 136 N -1.99 4.82 -1.59 1.08 2.47 -0.81 -4.81 114.94 114.11 3hjm s ASN 136 Ca 0.37 -2.25 -0.05 0.00 0.42 0.00 0.00 52.86 51.36 3hjm s ASN 136 Cb 0.21 -1.67 0.05 0.00 -1.45 0.00 0.00 41.25 38.39 3hjm s ASN 136 CO 0.33 -0.39 0.21 0.00 -3.72 0.00 0.00 177.10 173.53 3hjm n GLN 137 N 4.17 -1.43 -1.98 0.43 6.02 -1.26 -0.66 117.38 122.66 3hjm n GLN 137 Ca 0.03 0.17 -0.18 0.00 -0.01 0.00 0.00 57.00 57.01 3hjm n GLN 137 Cb 0.41 -4.01 -0.04 0.00 1.02 0.00 0.00 30.24 27.61 3hjm n GLN 137 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hjm n GLY 138 N -2.17 0.55 2.23 1.08 0.00 -1.24 -2.12 105.19 103.52 3hjm n GLY 138 Ca -0.23 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.75 3hjm n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hjm n GLY 139 N -0.64 0.69 0.01 -0.02 0.00 0.41 -4.81 105.19 100.81 3hjm n GLY 139 Ca -0.19 -0.48 0.13 0.00 0.00 0.00 0.00 46.02 45.47 3hjm n GLY 139 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hjm n LYS 140 N -2.43 0.02 0.00 1.61 5.02 -0.90 -4.82 118.16 116.66 3hjm n LYS 140 Ca -0.04 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 3hjm n LYS 140 Cb 0.19 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 3hjm n LYS 140 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3hjm n THR 141 N -1.54 0.00 -4.51 -0.18 -2.24 -1.26 -5.12 114.28 99.43 3hjm n THR 141 Ca 0.06 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.59 3hjm n THR 141 Cb 0.34 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.49 3hjm n THR 141 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3hjm s PHE 142 N 0.93 1.81 0.29 4.78 0.08 -1.25 -5.02 117.98 119.60 3hjm s PHE 142 Ca 0.00 -1.21 0.03 0.00 0.12 0.00 0.00 56.93 55.87 3hjm s PHE 142 Cb 0.00 -1.20 0.44 0.00 -0.57 0.00 0.00 43.02 41.69 3hjm s PHE 142 CO 0.00 -0.22 1.75 0.97 -0.10 0.00 0.00 175.22 177.62 3hjm h ILE 143 N 1.83 1.25 -3.39 0.64 6.09 -1.97 -3.42 117.51 118.55 3hjm h ILE 143 Ca -0.37 -1.18 -0.40 0.00 -1.37 0.00 0.00 64.86 61.54 3hjm h ILE 143 Cb 1.27 1.28 -0.36 0.00 0.47 0.00 0.00 36.82 39.48 3hjm h ILE 143 CO 0.60 0.38 -0.76 -0.69 -3.07 0.00 0.00 178.15 174.61 3hjm s VAL 144 N -4.58 0.33 0.00 2.19 1.01 -1.26 -4.67 120.40 113.41 3hjm s VAL 144 Ca -0.07 0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.97 3hjm s VAL 144 Cb 0.14 -0.44 0.00 0.00 0.00 0.00 0.00 36.38 36.08 3hjm s VAL 144 CO 0.79 0.21 0.00 0.61 0.00 0.00 0.00 175.10 176.71 3hjm n GLY 145 N 4.54 0.50 0.81 4.51 0.00 -1.26 -4.35 105.19 109.94 3hjm n GLY 145 Ca -0.18 -0.87 0.04 0.00 0.00 0.00 0.00 46.02 45.01 3hjm n GLY 145 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hjm n ASP 146 N -2.27 2.91 -3.95 1.61 5.68 -1.26 -3.86 116.55 115.42 3hjm n ASP 146 Ca 0.00 -3.38 -0.10 0.00 -0.50 0.00 0.00 54.79 50.82 3hjm n ASP 146 Cb 0.00 -0.56 -0.11 0.00 -1.14 0.00 0.00 41.12 39.32 3hjm n ASP 146 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 3hjm s GLN 147 N -3.02 0.38 0.51 0.11 -0.21 -1.26 -4.94 119.66 111.22 3hjm s GLN 147 Ca 0.41 -0.56 -0.22 0.00 0.02 0.00 0.00 55.36 55.01 3hjm s GLN 147 Cb 0.36 0.14 -0.06 0.00 1.00 0.00 0.00 33.01 34.45 3hjm s GLN 147 CO 0.03 -0.07 1.27 -1.50 -2.12 0.00 0.00 175.29 172.90 3hjm s ILE 148 N -1.50 2.52 0.30 1.08 2.07 -1.26 -4.82 121.20 119.59 3hjm s ILE 148 Ca -0.15 0.39 0.03 0.00 -1.41 0.00 0.00 60.65 59.51 3hjm s ILE 148 Cb -0.09 -3.20 -0.06 0.00 0.13 0.00 0.00 42.46 39.25 3hjm s ILE 148 CO -0.00 -0.01 0.07 -0.94 -1.91 0.00 0.00 174.94 172.16 3hjm s SER 149 N -1.13 1.85 0.49 4.50 1.04 -1.26 -4.54 113.70 114.65 3hjm s SER 149 Ca 0.68 -1.38 0.14 0.00 0.48 0.00 0.00 55.95 55.87 3hjm s SER 149 Cb -0.35 0.02 1.16 0.00 0.10 0.00 0.00 66.02 66.95 3hjm s SER 149 CO 0.42 -0.66 2.11 2.19 0.98 0.00 0.00 173.24 178.28 3hjm h PHE 150 N 2.23 0.15 -0.09 5.02 -5.15 -1.43 -2.13 116.94 115.55 3hjm h PHE 150 Ca -0.40 0.00 -0.05 0.00 -0.20 0.00 0.00 57.97 57.33 3hjm h PHE 150 Cb 1.25 -0.05 -0.01 0.00 0.22 0.00 0.00 35.95 37.35 3hjm h PHE 150 CO 0.52 0.09 -0.17 0.00 -2.00 0.00 0.00 178.31 176.76 3hjm h ALA 151 N 1.90 1.56 -0.18 12.09 0.00 -1.86 -2.59 119.26 130.18 3hjm h ALA 151 Ca 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hjm h ALA 151 Cb 0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hjm h ALA 151 CO -0.01 0.32 0.12 -0.44 0.00 0.00 0.00 179.25 179.24 3hjm h ASP 152 N 0.13 0.21 -0.60 0.00 3.32 -1.78 0.16 116.42 117.85 3hjm h ASP 152 Ca 0.03 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 3hjm h ASP 152 Cb 0.38 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 3hjm h ASP 152 CO 0.03 0.16 0.20 1.88 -1.72 0.00 0.00 179.24 179.78 3hjm h TYR 153 N 0.25 0.96 -0.17 4.55 0.05 -1.51 0.28 116.97 121.37 3hjm h TYR 153 Ca 0.07 -0.09 -0.05 0.00 0.05 0.00 0.00 58.73 58.71 3hjm h TYR 153 Cb -0.03 -0.28 -0.00 0.00 1.01 0.00 0.00 36.73 37.43 3hjm h TYR 153 CO -0.06 0.79 -0.07 -0.97 -1.05 0.00 0.00 178.16 176.79 3hjm h ASN 154 N 0.85 0.36 -0.09 3.88 -1.24 -1.40 -1.65 115.58 116.29 3hjm h ASN 154 Ca 0.20 -0.40 0.02 0.00 0.71 0.00 0.00 56.30 56.83 3hjm h ASN 154 Cb 0.27 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.20 3hjm h ASN 154 CO -0.01 0.68 -0.03 0.25 -1.29 0.00 0.00 177.43 177.03 3hjm h LEU 155 N 0.04 -0.11 -0.55 0.34 5.85 -0.49 -1.98 115.31 118.41 3hjm h LEU 155 Ca 0.04 0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.90 3hjm h LEU 155 Cb 0.53 0.07 -0.11 0.00 0.37 0.00 0.00 40.66 41.52 3hjm h LEU 155 CO 0.02 -0.04 -0.15 0.25 -0.34 0.00 0.00 178.44 178.18 3hjm h LEU 156 N -0.02 -0.55 -0.15 2.25 5.85 -0.38 -0.50 115.31 121.82 3hjm h LEU 156 Ca 0.05 0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.96 3hjm h LEU 156 Cb 0.09 0.36 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3hjm h LEU 156 CO -0.10 -0.19 0.01 -0.78 -0.34 0.00 0.00 178.44 177.03 3hjm h ASP 157 N -0.01 -0.04 -0.63 1.25 3.58 -1.09 0.56 116.42 120.03 3hjm h ASP 157 Ca 0.26 0.03 0.11 0.00 0.42 0.00 0.00 57.03 57.86 3hjm h ASP 157 Cb 0.42 0.05 -0.08 0.00 1.72 0.00 0.00 39.33 41.43 3hjm h ASP 157 CO -0.58 0.00 0.19 0.25 -2.88 0.00 0.00 179.24 176.23 3hjm h LEU 158 N 0.06 0.13 -0.03 2.28 5.85 -0.71 -1.00 115.31 121.88 3hjm h LEU 158 Ca 0.07 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 3hjm h LEU 158 Cb 0.08 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 3hjm h LEU 158 CO -0.11 0.07 0.01 -0.07 -0.34 0.00 0.00 178.44 178.00 3hjm h LEU 159 N 0.34 0.05 -0.65 2.25 3.38 -0.74 -2.43 115.31 117.52 3hjm h LEU 159 Ca 0.33 -0.24 0.13 0.00 0.09 0.00 0.00 57.88 58.19 3hjm h LEU 159 Cb 0.47 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.11 3hjm h LEU 159 CO -0.37 0.28 0.16 -0.07 0.09 0.00 0.00 178.44 178.53 3hjm h LEU 160 N -0.18 0.03 -0.72 1.67 3.38 -0.45 -0.65 115.31 118.40 3hjm h LEU 160 Ca 0.01 0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 3hjm h LEU 160 Cb 0.25 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3hjm h LEU 160 CO 0.00 0.01 -0.60 0.16 0.09 0.00 0.00 178.44 178.10 3hjm h ILE 161 N 0.28 1.41 0.00 1.22 3.07 -1.19 -2.67 117.51 119.63 3hjm h ILE 161 Ca 0.35 -2.01 -0.11 0.00 1.55 0.00 0.00 64.86 64.63 3hjm h ILE 161 Cb 0.54 2.05 -0.02 0.00 -0.27 0.00 0.00 36.82 39.12 3hjm h ILE 161 CO -0.43 0.59 -0.54 0.45 -1.05 0.00 0.00 178.15 177.17 3hjm h HIS 162 N 0.10 0.00 -0.07 0.16 3.86 -1.01 -1.03 115.15 117.16 3hjm h HIS 162 Ca -0.01 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.10 3hjm h HIS 162 Cb 1.09 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.54 3hjm h HIS 162 CO 0.01 0.54 -0.43 1.49 0.86 0.00 0.00 177.93 180.40 3hjm h GLU 163 N 0.00 0.16 -0.17 2.45 4.57 -0.90 0.84 114.58 121.52 3hjm h GLU 163 Ca -0.01 -0.08 -0.22 0.00 -1.18 0.00 0.00 59.36 57.88 3hjm h GLU 163 Cb 1.07 -0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.67 3hjm h GLU 163 CO 0.07 0.57 -0.75 0.28 -1.18 0.00 0.00 179.01 177.99 3hjm h VAL 164 N 0.13 1.27 -0.51 0.32 2.07 -1.32 -2.57 116.25 115.65 3hjm h VAL 164 Ca 0.01 -1.94 -0.11 0.00 0.82 0.00 0.00 66.70 65.48 3hjm h VAL 164 Cb 0.82 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.51 3hjm h VAL 164 CO 0.06 0.62 -0.12 0.25 0.02 0.00 0.00 177.57 178.40 3hjm h LEU 165 N 0.56 0.95 -6.03 2.57 5.85 -1.03 -3.40 115.31 114.78 3hjm h LEU 165 Ca -0.04 -0.31 -0.45 0.00 0.84 0.00 0.00 57.88 57.92 3hjm h LEU 165 Cb 1.38 -0.26 -0.32 0.00 0.37 0.00 0.00 40.66 41.84 3hjm h LEU 165 CO 0.16 1.07 -0.81 0.00 -0.34 0.00 0.00 178.44 178.52 3hjm s ALA 166 N -4.81 0.25 0.14 1.25 0.00 0.27 -5.08 121.76 113.78 3hjm s ALA 166 Ca -0.11 -1.71 -0.34 0.00 0.00 0.00 0.00 51.96 49.80 3hjm s ALA 166 Cb 0.13 -1.94 -0.16 0.00 0.00 0.00 0.00 23.12 21.15 3hjm s ALA 166 CO 0.85 -2.07 1.15 -2.30 0.00 0.00 0.00 175.76 173.39 3hjm n PRO 167 N 3.12 0.99 -0.21 0.00 -0.02 -0.97 -2.01 135.00 135.90 3hjm n PRO 167 Ca 0.24 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3hjm n PRO 167 Cb 0.49 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 3hjm n PRO 167 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hjm n GLY 168 N 2.04 1.82 0.36 -1.23 0.00 -1.26 -4.91 105.19 102.01 3hjm n GLY 168 Ca 0.16 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.36 3hjm n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hjm n LEU 170 N -3.52 1.06 0.26 0.00 4.77 -1.26 -3.95 117.00 114.35 3hjm n LEU 170 Ca 0.03 -0.28 0.08 0.00 -0.03 0.00 0.00 56.01 55.81 3hjm n LEU 170 Cb 0.45 -0.11 0.65 0.00 -2.33 0.00 0.00 43.42 42.07 3hjm n LEU 170 CO 0.24 0.20 1.05 0.44 -1.33 0.00 0.00 177.39 177.99 3hjm h ASP 171 N 1.30 0.00 0.53 -1.43 3.32 -0.83 -0.01 116.42 119.29 3hjm h ASP 171 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hjm h ASP 171 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 3hjm h ASP 171 CO 0.00 0.03 0.00 0.00 -1.72 0.00 0.00 179.24 177.55 3hjm n ALA 172 N -2.51 2.35 -3.58 3.45 0.00 -1.25 -4.52 120.51 114.44 3hjm n ALA 172 Ca -0.03 -0.13 -0.28 0.00 0.00 0.00 0.00 53.44 53.00 3hjm n ALA 172 Cb 0.11 -1.44 -0.11 0.00 0.00 0.00 0.00 19.45 18.01 3hjm n ALA 172 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3hjm s PHE 173 N -2.59 1.77 0.37 0.00 0.08 -0.02 -5.00 117.98 112.59 3hjm s PHE 173 Ca 0.25 -2.48 0.06 0.00 0.12 0.00 0.00 56.93 54.88 3hjm s PHE 173 Cb 0.18 -1.51 0.72 0.00 -0.57 0.00 0.00 43.02 41.84 3hjm s PHE 173 CO 0.42 -0.76 1.94 -1.35 -0.10 0.00 0.00 175.22 175.37 3hjm h PRO 174 N 5.99 0.47 -0.11 0.24 0.11 -1.80 -1.38 132.00 135.52 3hjm h PRO 174 Ca 0.16 -0.08 -0.22 0.00 0.11 0.00 0.00 66.00 65.97 3hjm h PRO 174 Cb 0.89 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 31.93 3hjm h PRO 174 CO 0.46 0.46 -0.78 -0.07 -0.21 0.00 0.00 178.00 177.85 3hjm h LEU 175 N 0.46 0.88 -0.51 2.35 3.38 -1.94 -2.27 115.31 117.67 3hjm h LEU 175 Ca 0.11 -0.65 -0.05 0.00 0.09 0.00 0.00 57.88 57.37 3hjm h LEU 175 Cb 0.22 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3hjm h LEU 175 CO -0.00 1.40 0.11 -0.07 0.09 0.00 0.00 178.44 179.97 3hjm h LEU 176 N 0.43 0.78 0.08 1.67 3.38 -1.84 -1.04 115.31 118.77 3hjm h LEU 176 Ca -0.07 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.69 3hjm h LEU 176 Cb 1.42 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 3hjm h LEU 176 CO 0.16 0.82 -0.33 0.28 0.09 0.00 0.00 178.44 179.47 3hjm h SER 177 N 0.71 -0.96 -0.60 -0.43 0.02 -1.26 -1.80 113.55 109.23 3hjm h SER 177 Ca 0.16 0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.22 3hjm h SER 177 Cb 0.36 0.37 -0.03 0.00 0.14 0.00 0.00 62.40 63.24 3hjm h SER 177 CO 0.00 -0.41 0.36 0.00 -1.14 0.00 0.00 176.83 175.64 3hjm h ALA 178 N 0.14 1.48 -0.25 3.77 0.00 -1.34 -2.37 119.26 120.69 3hjm h ALA 178 Ca 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3hjm h ALA 178 Cb 0.58 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3hjm h ALA 178 CO -0.22 0.45 0.10 -0.92 0.00 0.00 0.00 179.25 178.66 3hjm h TYR 179 N 0.84 0.39 -0.81 0.00 3.20 -1.06 0.01 116.97 119.54 3hjm h TYR 179 Ca 0.22 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.07 3hjm h TYR 179 Cb -0.01 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.10 3hjm h TYR 179 CO 0.00 0.40 0.54 0.28 -1.64 0.00 0.00 178.16 177.74 3hjm h VAL 180 N 0.26 1.21 -0.12 1.81 2.07 -1.00 -1.22 116.25 119.26 3hjm h VAL 180 Ca 0.08 -0.38 -0.09 0.00 0.82 0.00 0.00 66.70 67.14 3hjm h VAL 180 Cb 0.18 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 3hjm h VAL 180 CO -0.01 0.20 -0.26 1.23 0.02 0.00 0.00 177.57 178.75 3hjm h GLY 181 N 1.10 0.44 0.67 2.17 0.00 -1.31 -2.08 103.07 104.05 3hjm h GLY 181 Ca 0.30 -0.52 0.02 0.00 0.00 0.00 0.00 47.33 47.13 3hjm h GLY 181 CO -0.06 0.47 -0.15 -0.09 0.00 0.00 0.00 176.54 176.70 3hjm h ARG 182 N -0.02 -0.26 -0.40 4.80 2.43 -0.87 -2.08 114.38 117.99 3hjm h ARG 182 Ca 0.00 0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.10 3hjm h ARG 182 Cb 0.85 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 3hjm h ARG 182 CO 0.06 -0.17 -0.10 -0.07 -1.51 0.00 0.00 179.97 178.18 3hjm h LEU 183 N -0.27 0.77 -2.09 3.80 4.07 -1.32 -2.86 115.31 117.41 3hjm h LEU 183 Ca 0.04 -0.36 0.10 0.00 0.08 0.00 0.00 57.88 57.73 3hjm h LEU 183 Cb 0.32 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.83 3hjm h LEU 183 CO -0.12 0.96 0.32 0.28 -1.08 0.00 0.00 178.44 178.79 3hjm h SER 184 N 0.58 0.00 1.27 -0.43 0.02 -1.36 -2.21 113.55 111.42 3hjm h SER 184 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3hjm h SER 184 Cb 0.62 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.16 3hjm h SER 184 CO 0.04 0.00 -0.09 0.00 -1.14 0.00 0.00 176.83 175.64 3hjm n ALA 185 N -2.41 2.41 -1.68 3.77 0.00 -0.79 -3.47 120.51 118.35 3hjm n ALA 185 Ca 0.05 -0.08 -0.49 0.00 0.00 0.00 0.00 53.44 52.92 3hjm n ALA 185 Cb 0.48 -1.42 -0.05 0.00 0.00 0.00 0.00 19.45 18.45 3hjm n ALA 185 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hjm n ARG 186 N -2.05 2.04 -0.13 0.00 1.74 -0.83 -4.72 116.66 112.71 3hjm n ARG 186 Ca 0.06 0.75 -0.06 0.00 -0.77 0.00 0.00 57.85 57.83 3hjm n ARG 186 Cb 0.41 -2.56 0.01 0.00 -1.02 0.00 0.00 32.46 29.29 3hjm n ARG 186 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3hjm h PRO 187 N 8.60 -0.16 -0.75 5.56 0.11 -1.90 0.54 132.00 143.99 3hjm h PRO 187 Ca -0.48 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 3hjm h PRO 187 Cb 1.28 0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.39 3hjm h PRO 187 CO 0.94 -0.11 0.37 0.87 -0.21 0.00 0.00 178.00 179.86 3hjm h LYS 188 N -0.17 1.06 -0.14 1.05 1.57 -1.89 -1.13 116.57 116.91 3hjm h LYS 188 Ca 0.20 -0.14 -0.18 0.00 -1.87 0.00 0.00 60.65 58.65 3hjm h LYS 188 Cb 0.48 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.60 3hjm h LYS 188 CO -0.52 0.81 -0.63 1.25 -0.57 0.00 0.00 179.45 179.78 3hjm h LEU 189 N 1.06 0.80 -0.04 2.94 5.85 -1.39 -1.51 115.31 123.02 3hjm h LEU 189 Ca 0.26 -0.63 0.01 0.00 0.84 0.00 0.00 57.88 58.36 3hjm h LEU 189 Cb 0.09 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 3hjm h LEU 189 CO -0.04 1.30 -0.02 0.50 -0.34 0.00 0.00 178.44 179.84 3hjm h LYS 190 N 0.36 -0.01 -0.73 1.25 3.64 0.11 -0.09 116.57 121.10 3hjm h LYS 190 Ca -0.04 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.42 3hjm h LYS 190 Cb 1.27 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.02 3hjm h LYS 190 CO 0.13 -0.01 0.40 0.00 -2.27 0.00 0.00 179.45 177.71 3hjm h ALA 191 N 1.03 1.01 -0.39 5.00 0.00 -1.20 -1.77 119.26 122.94 3hjm h ALA 191 Ca 0.02 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3hjm h ALA 191 Cb 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3hjm h ALA 191 CO -0.05 0.05 0.10 0.35 0.00 0.00 0.00 179.25 179.70 3hjm h PHE 192 N 0.71 0.66 0.00 0.00 3.57 -0.93 -2.14 116.94 118.80 3hjm h PHE 192 Ca 0.34 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 3hjm h PHE 192 Cb 0.28 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.83 3hjm h PHE 192 CO -0.08 0.63 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.45 3hjm h LEU 193 N 0.49 0.00 0.00 0.59 3.38 -0.78 -2.13 115.31 116.86 3hjm h LEU 193 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3hjm h LEU 193 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3hjm h LEU 193 CO 0.00 0.11 -0.54 0.00 0.09 0.00 0.00 178.44 178.10 3hjm n ALA 194 N -2.36 2.93 -1.81 1.53 0.00 -0.68 -4.42 120.51 115.70 3hjm n ALA 194 Ca -0.02 -0.24 -0.33 0.00 0.00 0.00 0.00 53.44 52.85 3hjm n ALA 194 Cb 0.21 -1.20 -0.05 0.00 0.00 0.00 0.00 19.45 18.41 3hjm n ALA 194 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hjm s SER 195 N -4.07 6.63 0.38 0.00 1.04 -0.80 -4.81 113.70 112.07 3hjm s SER 195 Ca 0.07 1.78 0.14 0.00 0.48 0.00 0.00 55.95 58.43 3hjm s SER 195 Cb 0.14 -2.55 0.99 0.00 0.10 0.00 0.00 66.02 64.70 3hjm s SER 195 CO 0.70 -0.58 1.80 -0.65 0.98 0.00 0.00 173.24 175.49 3hjm h PRO 196 N 1.64 0.49 -0.21 4.02 0.11 -1.92 -0.33 132.00 135.80 3hjm h PRO 196 Ca -0.49 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 3hjm h PRO 196 Cb 1.20 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3hjm h PRO 196 CO 0.60 0.33 0.07 1.05 -0.21 0.00 0.00 178.00 179.83 3hjm h GLU 197 N 0.51 0.29 0.00 1.05 4.11 -1.93 0.36 114.58 118.97 3hjm h GLU 197 Ca 0.55 -0.03 -0.02 0.00 0.07 0.00 0.00 59.36 59.93 3hjm h GLU 197 Cb 1.21 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 3hjm h GLU 197 CO -0.28 0.26 -0.29 -0.92 0.07 0.00 0.00 179.01 177.85 3hjm h TYR 198 N 0.29 0.00 -0.88 2.06 3.20 -1.64 -3.40 116.97 116.60 3hjm h TYR 198 Ca 0.07 0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.02 3hjm h TYR 198 Cb 0.09 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 38.29 3hjm h TYR 198 CO 0.00 0.20 0.54 0.28 -1.64 0.00 0.00 178.16 177.54 3hjm h VAL 199 N -1.00 1.00 0.00 1.81 2.07 -1.00 -2.70 116.25 116.42 3hjm h VAL 199 Ca -0.03 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3hjm h VAL 199 Cb 0.38 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 3hjm h VAL 199 CO -0.02 0.17 0.00 0.59 0.02 0.00 0.00 177.57 178.34 3hjm n ASN 200 N -4.64 0.00 -4.84 0.57 3.02 0.11 -4.72 115.26 104.76 3hjm n ASN 200 Ca 0.14 -1.13 -0.38 0.00 -0.03 0.00 0.00 54.58 53.18 3hjm n ASN 200 Cb 0.22 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.33 3hjm n ASN 200 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3hjm s LEU 201 N -1.79 4.43 0.62 3.41 1.43 -1.02 -5.08 118.68 120.68 3hjm s LEU 201 Ca 0.35 0.77 -0.16 0.00 -1.03 0.00 0.00 54.13 54.06 3hjm s LEU 201 Cb 0.16 -2.41 -0.02 0.00 0.03 0.00 0.00 46.19 43.95 3hjm s LEU 201 CO 0.27 0.32 1.11 -2.16 0.23 0.00 0.00 176.35 176.13 3hjm s PRO 202 N -0.89 2.98 0.13 1.29 0.04 -1.26 -4.74 135.00 132.56 3hjm s PRO 202 Ca 0.20 1.44 -0.16 0.00 0.04 0.00 0.00 61.00 62.52 3hjm s PRO 202 Cb -0.15 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.41 3hjm s PRO 202 CO 0.10 -1.11 1.70 0.82 0.04 0.00 0.00 177.00 178.54 3hjm h ILE 203 N 0.38 1.18 -3.00 0.56 2.04 -1.95 -0.21 117.51 116.51 3hjm h ILE 203 Ca -0.48 -0.52 -0.55 0.00 1.00 0.00 0.00 64.86 64.32 3hjm h ILE 203 Cb 1.25 0.83 -0.17 0.00 -0.74 0.00 0.00 36.82 37.99 3hjm h ILE 203 CO 0.55 0.19 -0.78 0.20 0.00 0.00 0.00 178.15 178.31 3hjm s ASN 204 N -5.77 2.96 0.48 1.72 0.02 -1.26 -0.32 114.94 112.77 3hjm s ASN 204 Ca -0.13 -0.92 0.27 0.00 -1.02 0.00 0.00 52.86 51.05 3hjm s ASN 204 Cb 0.10 -0.20 1.12 0.00 0.02 0.00 0.00 41.25 42.29 3hjm s ASN 204 CO 0.74 -0.02 1.91 1.23 0.02 0.00 0.00 177.10 180.98 3hjm h GLY 205 N 2.94 0.00 -2.52 0.66 0.00 -1.90 -3.14 103.07 99.10 3hjm h GLY 205 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 3hjm h GLY 205 CO 0.54 0.00 0.00 1.16 0.00 0.00 0.00 176.54 178.24 3hjm n ASN 206 N -3.37 3.71 0.00 0.19 0.23 -1.26 -4.96 115.26 109.80 3hjm n ASN 206 Ca -0.00 -1.99 0.00 0.00 -0.53 0.00 0.00 54.58 52.05 3hjm n ASN 206 Cb 0.37 -0.40 0.00 0.00 -2.08 0.00 0.00 39.78 37.66 3hjm n ASN 206 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hjm n GLY 207 N 1.60 2.48 3.81 4.83 0.00 -1.19 -4.99 105.19 111.73 3hjm n GLY 207 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 3hjm n GLY 207 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hjm s LYS 208 N 0.00 3.19 0.00 1.61 1.02 -1.26 -4.99 119.74 119.31 3hjm s LYS 208 Ca 0.00 1.11 0.00 0.00 0.02 0.00 0.00 55.97 57.10 3hjm s LYS 208 Cb 0.00 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 35.29 3hjm s LYS 208 CO 0.00 -0.91 0.00 0.00 -0.92 0.00 0.00 175.35 173.52