#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 3.03 -0.04 6.00 2.02 -1.26 -1.32 117.35 125.79 3hjm s TYR 3 Ca 0.00 0.08 0.01 0.00 -0.37 0.00 0.00 57.07 56.79 3hjm s TYR 3 Cb 0.00 -1.75 0.02 0.00 -0.40 0.00 0.00 41.96 39.83 3hjm s TYR 3 CO 0.00 0.38 -0.02 0.99 -1.57 0.00 0.00 175.55 175.32 3hjm s THR 4 N -0.80 0.38 -0.28 -0.71 2.01 -0.35 -0.38 115.64 115.52 3hjm s THR 4 Ca 0.12 -0.01 -0.09 0.00 0.31 0.00 0.00 61.69 62.02 3hjm s THR 4 Cb -0.11 -0.45 -0.03 0.00 0.01 0.00 0.00 72.50 71.92 3hjm s THR 4 CO 0.02 0.20 0.13 -0.69 -0.69 0.00 0.00 174.62 173.59 3hjm s VAL 5 N 1.08 4.71 -0.32 3.82 1.01 -0.43 -0.93 120.40 129.34 3hjm s VAL 5 Ca -0.09 -0.14 -0.09 0.00 0.00 0.00 0.00 61.98 61.66 3hjm s VAL 5 Cb -0.14 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 32.97 3hjm s VAL 5 CO -0.01 0.23 0.15 -0.69 0.00 0.00 0.00 175.10 174.78 3hjm s VAL 6 N 1.66 4.51 0.26 2.92 1.01 -0.31 0.08 120.40 130.53 3hjm s VAL 6 Ca 0.06 -0.52 -0.19 0.00 0.00 0.00 0.00 61.98 61.33 3hjm s VAL 6 Cb -0.16 -3.34 0.02 0.00 0.00 0.00 0.00 36.38 32.90 3hjm s VAL 6 CO 0.07 0.02 0.65 -0.47 0.00 0.00 0.00 175.10 175.37 3hjm s TYR 7 N 1.59 -0.11 0.92 5.22 5.04 -0.90 -2.27 117.35 126.83 3hjm s TYR 7 Ca 0.04 -0.30 -0.11 0.00 -2.44 0.00 0.00 57.07 54.26 3hjm s TYR 7 Cb -0.17 0.58 0.14 0.00 0.35 0.00 0.00 41.96 42.86 3hjm s TYR 7 CO 0.06 -1.14 1.09 -0.06 -1.34 0.00 0.00 175.55 174.16 3hjm s PHE 8 N -3.92 2.06 -1.60 4.97 0.08 -1.26 -0.58 117.98 117.73 3hjm s PHE 8 Ca 0.12 1.42 -0.11 0.00 0.12 0.00 0.00 56.93 58.49 3hjm s PHE 8 Cb -0.04 -3.17 -0.07 0.00 -0.57 0.00 0.00 43.02 39.17 3hjm s PHE 8 CO 0.05 -2.60 2.85 -0.35 -0.10 0.00 0.00 175.22 175.07 3hjm n PRO 9 N -4.05 3.57 -4.23 0.24 -0.04 -1.26 -4.78 135.00 124.45 3hjm n PRO 9 Ca 0.08 -2.27 -0.13 0.00 -0.04 0.00 0.00 63.50 61.14 3hjm n PRO 9 Cb 0.54 -2.88 -0.10 0.00 -0.04 0.00 0.00 33.50 31.02 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 2.34 0.71 0.00 0.52 -7.23 -1.26 -4.35 120.40 111.12 3hjm s VAL 10 Ca 0.66 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.85 3hjm s VAL 10 Cb 0.17 -2.03 0.00 0.00 0.56 0.00 0.00 36.38 35.09 3hjm s VAL 10 CO -0.06 -0.56 0.47 0.54 -0.31 0.00 0.00 175.10 175.18 3hjm n ARG 11 N -0.20 0.00 0.00 4.82 1.74 0.12 -4.84 116.66 118.29 3hjm n ARG 11 Ca -0.08 0.46 0.00 0.00 -0.77 0.00 0.00 57.85 57.47 3hjm n ARG 11 Cb 0.63 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.86 3hjm n ARG 11 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hjm n GLY 12 N 0.57 3.18 0.12 -0.13 0.00 -0.04 -1.73 105.19 107.15 3hjm n GLY 12 Ca 0.00 -0.17 0.10 0.00 0.00 0.00 0.00 46.02 45.95 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 1.16 0.00 1.61 1.74 -1.26 -3.23 116.66 130.68 3hjm n ARG 13 Ca 0.00 -0.24 0.05 0.00 -0.77 0.00 0.00 57.85 56.89 3hjm n ARG 13 Cb 0.00 -1.32 -0.01 0.00 -1.02 0.00 0.00 32.46 30.10 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 1.84 -0.22 -0.48 0.00 0.00 -1.39 -1.98 119.26 117.03 3hjm h ALA 15 Ca 0.00 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.90 3hjm h ALA 15 Cb 0.35 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 3hjm h ALA 15 CO 0.00 -0.57 0.07 0.00 0.00 0.00 0.00 179.25 178.75 3hjm h ALA 16 N 0.49 0.51 -0.00 0.00 0.00 -1.82 -1.93 119.26 116.51 3hjm h ALA 16 Ca -0.02 0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3hjm h ALA 16 Cb 0.26 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3hjm h ALA 16 CO 0.04 -0.33 -0.48 1.37 0.00 0.00 0.00 179.25 179.84 3hjm h LEU 17 N 0.20 0.01 -0.13 0.00 8.10 -1.81 -2.00 115.31 119.67 3hjm h LEU 17 Ca 0.24 -0.01 -0.04 0.00 0.11 0.00 0.00 57.88 58.19 3hjm h LEU 17 Cb 0.33 -0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.54 3hjm h LEU 17 CO -0.33 0.49 -0.05 0.03 -4.11 0.00 0.00 178.44 174.46 3hjm h ARG 18 N 0.01 0.27 -0.78 0.17 3.08 -1.26 -1.94 114.38 113.93 3hjm h ARG 18 Ca -0.00 -0.11 0.16 0.00 0.07 0.00 0.00 59.98 60.09 3hjm h ARG 18 Cb 0.85 -0.01 -0.10 0.00 0.08 0.00 0.00 29.97 30.79 3hjm h ARG 18 CO 0.06 0.59 0.31 0.52 -1.07 0.00 0.00 179.97 180.38 3hjm h MET 19 N -0.06 0.41 0.10 0.04 2.86 -1.17 0.23 114.93 117.35 3hjm h MET 19 Ca 0.03 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3hjm h MET 19 Cb 0.51 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.07 3hjm h MET 19 CO 0.02 0.27 -0.05 1.25 1.06 0.00 0.00 176.91 179.46 3hjm h LEU 20 N 0.43 -0.11 -0.73 1.22 6.46 -1.30 0.16 115.31 121.44 3hjm h LEU 20 Ca 0.44 -0.20 -0.01 0.00 -0.12 0.00 0.00 57.88 58.00 3hjm h LEU 20 Cb 0.71 0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.63 3hjm h LEU 20 CO -0.44 0.13 0.43 -0.07 -0.62 0.00 0.00 178.44 177.88 3hjm h LEU 21 N -0.36 0.90 0.22 2.25 3.38 -0.79 -0.80 115.31 120.11 3hjm h LEU 21 Ca -0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3hjm h LEU 21 Cb 0.30 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3hjm h LEU 21 CO 0.02 0.71 -0.11 0.00 0.09 0.00 0.00 178.44 179.16 3hjm h ALA 22 N 1.22 -0.30 -0.01 1.53 0.00 -0.42 0.38 119.26 121.66 3hjm h ALA 22 Ca 0.26 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3hjm h ALA 22 Cb -0.01 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3hjm h ALA 22 CO -0.05 -0.61 -0.05 0.22 0.00 0.00 0.00 179.25 178.76 3hjm h ASP 23 N -0.41 0.01 -0.14 0.00 3.58 -0.57 -1.62 116.42 117.27 3hjm h ASP 23 Ca -0.03 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.42 3hjm h ASP 23 Cb 0.31 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.36 3hjm h ASP 23 CO 0.05 0.07 0.00 0.00 -2.88 0.00 0.00 179.24 176.48 3hjm n GLN 24 N -4.47 1.71 -2.33 0.28 1.13 -0.32 -4.82 117.38 108.57 3hjm n GLN 24 Ca -0.03 -1.06 -0.13 0.00 -1.94 0.00 0.00 57.00 53.84 3hjm n GLN 24 Cb 0.14 -1.41 -0.00 0.00 0.11 0.00 0.00 30.24 29.08 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 1.14 -0.13 3.87 1.08 0.00 -0.61 -5.02 105.19 105.52 3hjm n GLY 25 Ca 0.17 -0.33 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 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 -4.75 3.78 0.08 1.61 -1.52 0.09 -5.04 119.66 113.91 3hjm s GLN 26 Ca 0.04 0.21 0.01 0.00 -1.95 0.00 0.00 55.36 53.66 3hjm s GLN 26 Cb -0.02 -2.84 -0.04 0.00 -0.22 0.00 0.00 33.01 29.89 3hjm s GLN 26 CO 0.04 0.45 0.20 -1.54 -0.25 0.00 0.00 175.29 174.19 3hjm s SER 27 N -2.09 6.22 0.05 5.90 1.04 -1.26 -4.46 113.70 119.11 3hjm s SER 27 Ca 0.40 0.21 -0.11 0.00 0.48 0.00 0.00 55.95 56.93 3hjm s SER 27 Cb -0.13 -1.88 0.01 0.00 0.10 0.00 0.00 66.02 64.13 3hjm s SER 27 CO 0.21 0.15 0.25 -1.66 0.98 0.00 0.00 173.24 173.17 3hjm s TRP 28 N -1.53 -0.01 0.00 5.02 -2.14 -1.26 -4.34 118.94 114.68 3hjm s TRP 28 Ca 0.34 -0.21 -0.15 0.00 2.66 0.00 0.00 56.10 58.74 3hjm s TRP 28 Cb -0.13 0.03 -0.06 0.00 -3.10 0.00 0.00 33.47 30.22 3hjm s TRP 28 CO 0.27 -0.49 0.43 0.21 -2.66 0.00 0.00 176.95 174.70 3hjm s LYS 29 N -2.84 3.96 -0.17 3.25 2.20 0.49 -4.99 119.74 121.63 3hjm s LYS 29 Ca -0.03 0.44 -0.12 0.00 -0.36 0.00 0.00 55.97 55.90 3hjm s LYS 29 Cb 0.00 -3.23 -0.05 0.00 -1.51 0.00 0.00 37.83 33.04 3hjm s LYS 29 CO -0.05 0.67 0.23 -1.21 -0.36 0.00 0.00 175.35 174.62 3hjm s GLU 30 N -1.01 4.21 -0.32 4.03 0.41 -1.26 -1.31 118.70 123.44 3hjm s GLU 30 Ca 0.24 -0.02 -0.05 0.00 -0.41 0.00 0.00 54.97 54.73 3hjm s GLU 30 Cb -0.17 -3.42 0.04 0.00 -1.78 0.00 0.00 34.13 28.80 3hjm s GLU 30 CO 0.14 0.28 0.07 -1.21 -0.49 0.00 0.00 175.26 174.05 3hjm s GLU 31 N 0.39 2.61 -0.07 1.61 0.41 0.11 -4.95 118.70 118.81 3hjm s GLU 31 Ca 0.13 -1.17 -0.27 0.00 -0.41 0.00 0.00 54.97 53.25 3hjm s GLU 31 Cb -0.12 -3.37 -0.03 0.00 -1.78 0.00 0.00 34.13 28.83 3hjm s GLU 31 CO 0.02 -0.63 0.85 0.08 -0.49 0.00 0.00 175.26 175.08 3hjm s VAL 32 N 1.37 4.93 -0.25 2.63 1.01 -1.26 -2.11 120.40 126.72 3hjm s VAL 32 Ca -0.02 1.74 -0.08 0.00 0.00 0.00 0.00 61.98 63.62 3hjm s VAL 32 Cb -0.19 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 3hjm s VAL 32 CO 0.02 0.15 0.10 -0.69 0.00 0.00 0.00 175.10 174.68 3hjm s VAL 33 N 1.26 4.55 0.58 2.92 1.01 0.25 -4.95 120.40 126.03 3hjm s VAL 33 Ca 0.44 -0.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.27 3hjm s VAL 33 Cb -0.19 -3.14 0.01 0.00 0.00 0.00 0.00 36.38 33.07 3hjm s VAL 33 CO 0.20 0.32 0.89 0.42 0.00 0.00 0.00 175.10 176.93 3hjm s THR 34 N 1.62 3.64 0.23 3.92 -4.23 -1.26 -4.14 115.64 115.41 3hjm s THR 34 Ca 0.06 -0.03 -0.07 0.00 -1.18 0.00 0.00 61.69 60.48 3hjm s THR 34 Cb -0.15 -3.44 0.19 0.00 1.34 0.00 0.00 72.50 70.44 3hjm s THR 34 CO 0.05 -0.45 1.72 0.58 -0.54 0.00 0.00 174.62 175.98 3hjm h VAL 35 N -0.15 0.65 -0.47 2.29 2.07 -1.99 -1.21 116.25 117.44 3hjm h VAL 35 Ca -0.45 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 66.95 3hjm h VAL 35 Cb 1.26 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 3hjm h VAL 35 CO 0.60 0.07 0.31 -0.08 0.02 0.00 0.00 177.57 178.48 3hjm h GLU 36 N 0.36 0.60 -0.45 1.57 4.81 -1.99 -0.28 114.58 119.21 3hjm h GLU 36 Ca 0.37 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.45 3hjm h GLU 36 Cb 0.56 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 3hjm h GLU 36 CO -0.41 0.40 -0.19 1.15 -0.73 0.00 0.00 179.01 179.24 3hjm h THR 37 N 0.62 1.27 -0.14 0.32 2.02 -1.81 -2.30 112.91 112.89 3hjm h THR 37 Ca 0.18 -1.32 -0.15 0.00 0.77 0.00 0.00 66.41 65.89 3hjm h THR 37 Cb -0.05 1.12 0.01 0.00 -1.74 0.00 0.00 68.15 67.49 3hjm h THR 37 CO -0.05 0.45 -0.50 -0.25 0.37 0.00 0.00 175.52 175.54 3hjm h TRP 38 N 0.77 0.78 -0.18 3.16 2.91 -1.09 -3.24 115.95 119.05 3hjm h TRP 38 Ca 0.11 -0.32 -0.05 0.00 1.13 0.00 0.00 58.89 59.76 3hjm h TRP 38 Cb 0.72 -0.13 -0.01 0.00 -0.51 0.00 0.00 29.16 29.23 3hjm h TRP 38 CO 0.04 1.10 -0.11 1.96 -1.03 0.00 0.00 178.44 180.40 3hjm h GLN 39 N 0.23 0.29 -0.60 2.65 1.08 -1.06 -2.87 115.11 114.83 3hjm h GLN 39 Ca -0.02 -0.07 0.15 0.00 -1.45 0.00 0.00 58.65 57.26 3hjm h GLN 39 Cb 1.13 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.49 3hjm h GLN 39 CO 0.11 0.41 0.42 1.49 -0.95 0.00 0.00 178.83 180.30 3hjm h GLU 40 N 0.27 0.15 0.00 1.46 4.22 -1.44 -3.46 114.58 115.79 3hjm h GLU 40 Ca 0.06 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.49 3hjm h GLU 40 Cb 0.37 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3hjm h GLU 40 CO 0.02 0.10 0.00 0.41 -2.18 0.00 0.00 179.01 177.36 3hjm n GLY 41 N -1.60 3.33 0.16 1.92 0.00 -1.08 -4.94 105.19 102.98 3hjm n GLY 41 Ca 0.11 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 3hjm n GLY 41 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hjm h SER 42 N 0.00 0.62 0.13 1.61 4.64 -1.85 -2.16 113.55 116.54 3hjm h SER 42 Ca 0.00 -0.51 -0.01 0.00 -0.47 0.00 0.00 61.79 60.80 3hjm h SER 42 Cb 0.00 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 61.90 3hjm h SER 42 CO 0.00 1.32 -0.06 0.25 -0.87 0.00 0.00 176.83 177.46 3hjm h LEU 43 N 0.25 -0.15 -0.62 5.97 5.85 -1.91 -2.69 115.31 122.01 3hjm h LEU 43 Ca -0.10 -0.05 0.13 0.00 0.84 0.00 0.00 57.88 58.70 3hjm h LEU 43 Cb 1.65 0.04 -0.11 0.00 0.37 0.00 0.00 40.66 42.60 3hjm h LEU 43 CO 0.18 -0.05 -0.11 0.50 -0.34 0.00 0.00 178.44 178.61 3hjm h LYS 44 N -0.24 0.03 -0.08 1.25 3.64 -1.86 -0.76 116.57 118.55 3hjm h LYS 44 Ca -0.02 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3hjm h LYS 44 Cb 0.19 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 3hjm h LYS 44 CO 0.03 0.02 -0.00 0.00 -2.27 0.00 0.00 179.45 177.23 3hjm h ALA 45 N 1.60 1.85 0.00 5.00 0.00 -1.37 -1.94 119.26 124.40 3hjm h ALA 45 Ca 0.30 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3hjm h ALA 45 Cb 0.47 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3hjm h ALA 45 CO -0.61 0.12 -0.15 -1.13 0.00 0.00 0.00 179.25 177.48 3hjm n SER 46 N -4.46 0.46 -4.72 0.00 3.41 -0.35 -4.82 113.62 103.14 3hjm n SER 46 Ca -0.02 0.38 -0.42 0.00 -0.26 0.00 0.00 58.87 58.56 3hjm n SER 46 Cb 0.13 -0.43 -0.03 0.00 -0.26 0.00 0.00 64.21 63.62 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 6.53 -0.60 -3.27 0.00 5.85 -1.87 0.12 115.31 122.07 3hjm h LEU 48 Ca -0.41 0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 3hjm h LEU 48 Cb 1.22 0.44 -0.01 0.00 0.37 0.00 0.00 40.66 42.68 3hjm h LEU 48 CO 0.74 -0.24 0.00 -1.22 -0.34 0.00 0.00 178.44 177.38 3hjm n TYR 49 N -5.46 0.95 -1.40 1.25 4.01 -1.26 -4.95 117.16 110.31 3hjm n TYR 49 Ca 0.13 -0.93 -0.08 0.00 -0.16 0.00 0.00 57.90 56.86 3hjm n TYR 49 Cb 0.45 -0.33 -0.03 0.00 -0.31 0.00 0.00 39.34 39.12 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 -0.57 0.85 3.12 2.72 0.00 0.03 -5.00 105.19 106.34 3hjm n GLY 50 Ca 0.22 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.99 0.69 0.21 1.61 -0.21 -1.26 -4.93 119.66 112.78 3hjm s GLN 51 Ca 0.00 -1.01 0.07 0.00 0.02 0.00 0.00 55.36 54.44 3hjm s GLN 51 Cb 0.00 -0.33 -0.04 0.00 1.00 0.00 0.00 33.01 33.64 3hjm s GLN 51 CO 0.00 0.04 0.08 -0.51 -2.12 0.00 0.00 175.29 172.78 3hjm s LEU 52 N -2.19 3.53 0.69 2.90 1.43 -1.26 -4.62 118.68 119.16 3hjm s LEU 52 Ca -0.00 -0.36 -0.16 0.00 -1.03 0.00 0.00 54.13 52.59 3hjm s LEU 52 Cb -0.04 -2.11 0.02 0.00 0.03 0.00 0.00 46.19 44.09 3hjm s LEU 52 CO -0.01 0.03 1.19 -2.16 0.23 0.00 0.00 176.35 175.63 3hjm s PRO 53 N -3.38 2.39 -0.02 1.29 0.04 -1.26 -4.96 135.00 129.10 3hjm s PRO 53 Ca 0.30 1.71 0.06 0.00 0.04 0.00 0.00 61.00 63.12 3hjm s PRO 53 Cb -0.08 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 3hjm s PRO 53 CO 0.22 -1.63 -0.21 0.21 0.04 0.00 0.00 177.00 175.63 3hjm s LYS 54 N -3.84 2.24 -0.01 4.56 2.20 -0.96 -3.91 119.74 120.02 3hjm s LYS 54 Ca 0.74 -0.85 0.04 0.00 -0.36 0.00 0.00 55.97 55.53 3hjm s LYS 54 Cb -0.28 -2.18 -0.01 0.00 -1.51 0.00 0.00 37.83 33.85 3hjm s LYS 54 CO 0.42 0.58 -0.12 0.12 -0.36 0.00 0.00 175.35 175.99 3hjm s PHE 55 N -0.69 1.10 -0.09 4.03 5.36 0.76 -1.16 117.98 127.28 3hjm s PHE 55 Ca 0.11 -0.21 0.04 0.00 -0.96 0.00 0.00 56.93 55.91 3hjm s PHE 55 Cb -0.10 -0.71 -0.00 0.00 -0.34 0.00 0.00 43.02 41.87 3hjm s PHE 55 CO 0.00 -0.02 -0.24 -1.14 -1.46 0.00 0.00 175.22 172.36 3hjm s GLN 56 N -0.28 2.98 -0.37 10.12 2.00 -0.11 -0.05 119.66 133.95 3hjm s GLN 56 Ca 0.05 -0.88 0.01 0.00 -2.00 0.00 0.00 55.36 52.53 3hjm s GLN 56 Cb -0.05 -2.27 0.12 0.00 0.80 0.00 0.00 33.01 31.61 3hjm s GLN 56 CO -0.00 0.20 0.17 0.34 -0.50 0.00 0.00 175.29 175.49 3hjm s ASP 57 N 0.29 3.82 1.76 6.67 -1.08 -0.03 -1.21 116.67 126.88 3hjm s ASP 57 Ca -0.17 -2.13 0.00 0.00 -0.52 0.00 0.00 52.55 49.72 3hjm s ASP 57 Cb -0.17 -0.94 0.00 0.00 -1.46 0.00 0.00 42.92 40.35 3hjm s ASP 57 CO 0.08 -0.34 0.00 0.61 0.52 0.00 0.00 175.17 176.04 3hjm n GLY 58 N 4.19 4.07 0.24 2.66 0.00 -0.43 -1.72 105.19 114.21 3hjm n GLY 58 Ca 0.04 0.15 0.14 0.00 0.00 0.00 0.00 46.02 46.35 3hjm n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hjm n ASP 59 N 7.78 0.92 -4.77 1.61 8.00 -1.26 -4.86 116.55 123.97 3hjm n ASP 59 Ca 0.00 -0.90 -0.38 0.00 0.71 0.00 0.00 54.79 54.21 3hjm n ASP 59 Cb 0.00 0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 41.09 3hjm n ASP 59 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3hjm s LEU 60 N -2.40 4.41 -0.07 0.64 2.96 -0.70 -5.08 118.68 118.44 3hjm s LEU 60 Ca 0.28 1.07 0.04 0.00 -0.22 0.00 0.00 54.13 55.31 3hjm s LEU 60 Cb 0.20 -2.82 -0.02 0.00 0.50 0.00 0.00 46.19 44.05 3hjm s LEU 60 CO 0.47 0.13 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.55 3hjm s THR 61 N -0.25 2.54 0.12 3.68 2.01 -1.26 -0.86 115.64 121.62 3hjm s THR 61 Ca 0.29 -0.89 0.06 0.00 0.31 0.00 0.00 61.69 61.46 3hjm s THR 61 Cb -0.17 -1.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 3hjm s THR 61 CO 0.15 0.57 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.74 3hjm s LEU 62 N -0.20 2.38 0.23 4.42 1.43 0.92 -4.97 118.68 122.88 3hjm s LEU 62 Ca -0.01 -0.77 0.07 0.00 -1.03 0.00 0.00 54.13 52.38 3hjm s LEU 62 Cb -0.13 -0.60 -0.05 0.00 0.03 0.00 0.00 46.19 45.44 3hjm s LEU 62 CO 0.03 -0.11 -0.09 -0.31 0.23 0.00 0.00 176.35 176.10 3hjm s TYR 63 N -1.91 1.75 0.00 0.29 2.02 -1.26 -0.17 117.35 118.07 3hjm s TYR 63 Ca 0.08 -0.67 0.00 0.00 -0.37 0.00 0.00 57.07 56.11 3hjm s TYR 63 Cb -0.06 -0.91 0.00 0.00 -0.40 0.00 0.00 41.96 40.59 3hjm s TYR 63 CO 0.03 0.27 0.00 1.04 -1.57 0.00 0.00 175.55 175.32 3hjm n GLN 64 N -0.45 0.00 0.21 -0.62 1.13 -1.25 -4.63 117.38 111.77 3hjm n GLN 64 Ca -0.07 0.35 0.04 0.00 -1.94 0.00 0.00 57.00 55.39 3hjm n GLN 64 Cb 0.62 -0.23 0.45 0.00 0.11 0.00 0.00 30.24 31.19 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 0.00 0.98 1.08 4.64 -1.88 -1.16 113.55 117.21 3hjm h SER 65 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 3hjm h SER 65 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3hjm h SER 65 CO 0.00 0.26 -0.46 0.78 -0.87 0.00 0.00 176.83 176.54 3hjm h ASN 66 N 0.00 0.00 -0.26 4.97 -0.26 -1.92 -2.02 115.58 116.09 3hjm h ASN 66 Ca -0.00 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.70 3hjm h ASN 66 Cb 0.47 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.72 3hjm h ASN 66 CO 0.03 0.46 0.01 0.74 -1.06 0.00 0.00 177.43 177.62 3hjm h THR 67 N 0.00 1.25 -0.39 2.81 2.02 -1.48 -2.20 112.91 114.92 3hjm h THR 67 Ca -0.00 -0.89 -0.03 0.00 0.77 0.00 0.00 66.41 66.26 3hjm h THR 67 Cb 1.08 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 68.79 3hjm h THR 67 CO 0.06 0.28 0.13 0.40 0.37 0.00 0.00 175.52 176.76 3hjm h ILE 68 N 0.25 1.21 -0.17 3.11 2.04 -1.38 0.16 117.51 122.72 3hjm h ILE 68 Ca 0.08 -0.69 0.05 0.00 1.00 0.00 0.00 64.86 65.29 3hjm h ILE 68 Cb 0.40 0.93 -0.06 0.00 -0.74 0.00 0.00 36.82 37.35 3hjm h ILE 68 CO 0.01 0.24 -0.18 -0.07 0.00 0.00 0.00 178.15 178.15 3hjm h LEU 69 N 0.49 -0.57 -0.71 1.44 3.38 -1.42 0.16 115.31 118.08 3hjm h LEU 69 Ca 0.13 0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 3hjm h LEU 69 Cb 0.25 0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 3hjm h LEU 69 CO -0.00 -0.23 0.23 0.03 0.09 0.00 0.00 178.44 178.56 3hjm h ARG 70 N -0.21 1.10 -0.09 1.13 3.08 -1.26 0.46 114.38 118.58 3hjm h ARG 70 Ca 0.11 -0.23 0.03 0.00 0.07 0.00 0.00 59.98 59.96 3hjm h ARG 70 Cb 0.37 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 3hjm h ARG 70 CO -0.29 0.94 -0.14 1.25 -1.07 0.00 0.00 179.97 180.66 3hjm h HIS 71 N 1.04 -0.35 -0.68 3.04 2.76 -0.41 0.18 115.15 120.73 3hjm h HIS 71 Ca 0.23 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.37 3hjm h HIS 71 Cb 0.29 0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.39 3hjm h HIS 71 CO 0.02 -0.20 0.25 -0.07 -1.30 0.00 0.00 177.93 176.63 3hjm h LEU 72 N -0.19 0.95 -0.65 0.26 3.38 -0.46 -0.19 115.31 118.41 3hjm h LEU 72 Ca 0.08 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.92 3hjm h LEU 72 Cb 0.29 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 3hjm h LEU 72 CO -0.20 0.86 0.41 1.23 0.09 0.00 0.00 178.44 180.84 3hjm h GLY 73 N 1.07 0.93 0.92 0.83 0.00 0.25 -0.88 103.07 106.19 3hjm h GLY 73 Ca 0.23 -0.31 -0.12 0.00 0.00 0.00 0.00 47.33 47.12 3hjm h GLY 73 CO -0.02 0.28 -0.34 -0.09 0.00 0.00 0.00 176.54 176.37 3hjm h ARG 74 N 0.82 0.61 0.00 4.80 2.43 -0.35 0.37 114.38 123.05 3hjm h ARG 74 Ca 0.26 -0.37 -0.16 0.00 -0.81 0.00 0.00 59.98 58.90 3hjm h ARG 74 Cb -0.01 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 3hjm h ARG 74 CO -0.09 0.98 -0.79 1.79 -1.51 0.00 0.00 179.97 180.35 3hjm h THR 75 N 0.30 1.29 -0.05 0.20 1.35 -0.91 -3.29 112.91 111.80 3hjm h THR 75 Ca 0.02 -2.84 0.00 0.00 -0.55 0.00 0.00 66.41 63.04 3hjm h THR 75 Cb 0.93 2.64 0.00 0.00 -1.73 0.00 0.00 68.15 69.98 3hjm h THR 75 CO 0.08 0.74 0.00 0.18 -0.25 0.00 0.00 175.52 176.27 3hjm n LEU 76 N -3.28 2.62 -1.00 3.87 4.77 -0.35 -4.99 117.00 118.65 3hjm n LEU 76 Ca 0.00 -1.04 -0.02 0.00 -0.03 0.00 0.00 56.01 54.93 3hjm n LEU 76 Cb 0.85 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.93 3hjm n LEU 76 CO 0.44 0.47 0.01 0.61 -1.33 0.00 0.00 177.39 177.59 3hjm n GLY 77 N 1.08 0.58 2.49 -0.72 0.00 -0.85 -4.99 105.19 102.77 3hjm n GLY 77 Ca 0.11 -0.51 -0.25 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.09 4.32 -1.36 0.99 4.77 0.12 -4.77 117.00 119.98 3hjm n LEU 78 Ca -0.01 -5.02 0.03 0.00 -0.03 0.00 0.00 56.01 50.98 3hjm n LEU 78 Cb 0.51 -0.35 0.01 0.00 -2.33 0.00 0.00 43.42 41.26 3hjm n LEU 78 CO 0.05 2.15 0.10 0.00 -1.33 0.00 0.00 177.39 178.37 3hjm n TYR 79 N -0.44 0.00 0.00 -1.77 4.19 -1.25 -0.61 117.16 117.28 3hjm n TYR 79 Ca 0.35 -0.45 0.00 0.00 3.31 0.00 0.00 57.90 61.11 3hjm n TYR 79 Cb 0.69 -0.08 0.00 0.00 0.49 0.00 0.00 39.34 40.44 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 0.41 -1.45 0.11 2.98 0.00 -1.26 -3.66 105.19 102.31 3hjm n GLY 80 Ca 0.03 -1.53 0.09 0.00 0.00 0.00 0.00 46.02 44.60 3hjm n GLY 80 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3hjm n LYS 81 N -1.41 0.61 -2.69 1.61 2.85 -1.26 -4.85 118.16 113.02 3hjm n LYS 81 Ca 0.00 0.14 -0.06 0.00 -1.05 0.00 0.00 58.31 57.34 3hjm n LYS 81 Cb 0.00 -1.81 0.00 0.00 -0.65 0.00 0.00 35.03 32.57 3hjm n LYS 81 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 3hjm n ASP 82 N -2.72 -1.12 -0.34 -5.58 5.68 -1.26 -5.04 116.55 106.17 3hjm n ASP 82 Ca -0.03 -1.96 0.03 0.00 -0.50 0.00 0.00 54.79 52.34 3hjm n ASP 82 Cb 0.62 1.91 0.18 0.00 -1.14 0.00 0.00 41.12 42.70 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 0.99 -0.47 0.11 4.20 -1.93 -0.17 115.11 117.84 3hjm h GLN 83 Ca -0.18 -0.06 -0.09 0.00 0.06 0.00 0.00 58.65 58.39 3hjm h GLN 83 Cb 0.69 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 3hjm h GLN 83 CO 0.23 0.66 -0.04 1.96 -0.67 0.00 0.00 178.83 180.96 3hjm h GLN 84 N 1.02 0.86 -0.64 1.46 4.20 -1.98 -1.29 115.11 118.75 3hjm h GLN 84 Ca 0.43 -0.29 -0.09 0.00 0.06 0.00 0.00 58.65 58.76 3hjm h GLN 84 Cb 0.29 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 3hjm h GLN 84 CO -0.21 0.93 0.05 0.93 -0.67 0.00 0.00 178.83 179.85 3hjm h GLU 85 N 0.71 1.09 -0.77 1.46 5.08 -1.86 -2.72 114.58 117.56 3hjm h GLU 85 Ca 0.13 -0.32 0.06 0.00 -1.00 0.00 0.00 59.36 58.23 3hjm h GLU 85 Cb 0.57 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.64 3hjm h GLU 85 CO 0.03 1.03 0.46 0.00 -1.00 0.00 0.00 179.01 179.54 3hjm h ALA 86 N 1.03 1.05 -0.77 3.43 0.00 -0.81 0.19 119.26 123.40 3hjm h ALA 86 Ca 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3hjm h ALA 86 Cb 0.51 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3hjm h ALA 86 CO 0.02 0.18 0.34 0.00 0.00 0.00 0.00 179.25 179.79 3hjm h ALA 87 N 1.38 1.16 -0.22 0.00 0.00 -1.15 -1.73 119.26 118.70 3hjm h ALA 87 Ca 0.34 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.92 3hjm h ALA 87 Cb 0.18 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3hjm h ALA 87 CO -0.18 0.62 -0.55 -0.07 0.00 0.00 0.00 179.25 179.08 3hjm h LEU 88 N 1.10 0.75 -0.30 0.00 3.38 -1.04 -2.11 115.31 117.08 3hjm h LEU 88 Ca 0.26 -0.40 0.04 0.00 0.09 0.00 0.00 57.88 57.87 3hjm h LEU 88 Cb 0.15 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 3hjm h LEU 88 CO -0.03 1.14 0.09 0.58 0.09 0.00 0.00 178.44 180.31 3hjm h VAL 89 N 0.52 0.89 -0.71 1.22 2.07 -0.76 -0.55 116.25 118.92 3hjm h VAL 89 Ca 0.01 -0.07 0.06 0.00 0.82 0.00 0.00 66.70 67.51 3hjm h VAL 89 Cb 1.11 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 3hjm h VAL 89 CO 0.11 0.04 0.42 0.44 0.02 0.00 0.00 177.57 178.59 3hjm h ASP 90 N 0.21 0.64 -0.58 0.57 3.32 -1.23 0.20 116.42 119.55 3hjm h ASP 90 Ca 0.14 0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.10 3hjm h ASP 90 Cb 0.12 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 3hjm h ASP 90 CO -0.16 0.42 -0.06 -0.03 -1.72 0.00 0.00 179.24 177.69 3hjm h MET 91 N 0.77 1.06 -0.22 3.56 4.05 -0.80 0.57 114.93 123.92 3hjm h MET 91 Ca 0.31 -0.37 -0.03 0.00 -0.28 0.00 0.00 59.70 59.34 3hjm h MET 91 Cb 0.16 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.87 3hjm h MET 91 CO -0.17 1.06 0.04 0.28 0.23 0.00 0.00 176.91 178.35 3hjm h VAL 92 N 0.95 1.22 -0.43 -5.77 2.07 -0.71 -2.48 116.25 111.11 3hjm h VAL 92 Ca 0.16 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 3hjm h VAL 92 Cb 0.63 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 3hjm h VAL 92 CO 0.04 0.23 0.21 -1.13 0.02 0.00 0.00 177.57 176.94 3hjm h ASN 93 N 0.17 0.56 -0.95 0.57 -1.24 0.00 -0.07 115.58 114.62 3hjm h ASN 93 Ca 0.07 -0.12 0.03 0.00 0.71 0.00 0.00 56.30 56.99 3hjm h ASN 93 Cb 0.32 -0.14 -0.05 0.00 0.73 0.00 0.00 38.32 39.17 3hjm h ASN 93 CO 0.00 0.52 0.63 0.44 -1.29 0.00 0.00 177.43 177.74 3hjm h ASP 94 N 0.55 1.05 -0.63 1.15 3.32 -0.98 0.93 116.42 121.81 3hjm h ASP 94 Ca 0.15 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.20 3hjm h ASP 94 Cb 0.11 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 3hjm h ASP 94 CO -0.02 0.72 0.41 1.23 -1.72 0.00 0.00 179.24 179.86 3hjm h GLY 95 N 1.22 0.90 0.86 2.75 0.00 -0.94 -1.04 103.07 106.82 3hjm h GLY 95 Ca 0.38 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 3hjm h GLY 95 CO -0.11 0.30 0.05 -2.08 0.00 0.00 0.00 176.54 174.70 3hjm h VAL 96 N 0.83 1.21 -0.55 4.60 2.07 -0.33 -2.86 116.25 121.22 3hjm h VAL 96 Ca 0.24 -0.69 0.11 0.00 0.82 0.00 0.00 66.70 67.18 3hjm h VAL 96 Cb -0.06 1.23 -0.09 0.00 -1.52 0.00 0.00 31.29 30.86 3hjm h VAL 96 CO -0.07 0.22 0.02 -0.08 0.02 0.00 0.00 177.57 177.68 3hjm h GLU 97 N 0.19 0.14 -0.64 1.57 4.57 -0.76 -0.46 114.58 119.19 3hjm h GLU 97 Ca 0.07 -0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.31 3hjm h GLU 97 Cb 0.28 -0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.79 3hjm h GLU 97 CO 0.00 0.09 0.34 -0.44 -1.18 0.00 0.00 179.01 177.82 3hjm h ASP 98 N 0.14 0.48 0.05 1.04 3.32 -1.04 -1.57 116.42 118.84 3hjm h ASP 98 Ca 0.28 0.04 -0.19 0.00 0.02 0.00 0.00 57.03 57.18 3hjm h ASP 98 Cb 0.44 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 3hjm h ASP 98 CO -0.45 0.31 -0.69 0.25 -1.72 0.00 0.00 179.24 176.94 3hjm h LEU 99 N 0.62 0.68 -0.93 1.55 5.85 -1.28 -2.88 115.31 118.92 3hjm h LEU 99 Ca 0.29 -0.42 0.12 0.00 0.84 0.00 0.00 57.88 58.71 3hjm h LEU 99 Cb 0.21 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 40.96 3hjm h LEU 99 CO -0.20 1.18 0.55 -0.09 -0.34 0.00 0.00 178.44 179.54 3hjm h ARG 100 N 0.41 0.83 -0.62 1.25 2.43 -0.88 0.81 114.38 118.62 3hjm h ARG 100 Ca -0.03 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.00 3hjm h ARG 100 Cb 1.28 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.62 3hjm h ARG 100 CO 0.13 0.55 0.02 0.00 -1.51 0.00 0.00 179.97 179.16 3hjm h LYS 102 N 0.99 0.69 -0.29 0.00 1.57 -1.18 -1.40 116.57 116.96 3hjm h LYS 102 Ca 0.18 -0.22 0.04 0.00 -1.87 0.00 0.00 60.65 58.78 3hjm h LYS 102 Cb 0.54 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 3hjm h LYS 102 CO 0.03 0.79 0.03 -0.92 -0.57 0.00 0.00 179.45 178.81 3hjm h TYR 103 N 0.51 0.05 -0.41 -1.35 3.20 -0.71 -1.86 116.97 116.41 3hjm h TYR 103 Ca 0.11 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 3hjm h TYR 103 Cb 0.48 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 3hjm h TYR 103 CO 0.04 -0.01 0.08 0.82 -1.64 0.00 0.00 178.16 177.45 3hjm h ILE 104 N 0.13 1.24 -0.43 1.81 2.04 -1.09 -1.12 117.51 120.09 3hjm h ILE 104 Ca 0.14 -0.84 0.05 0.00 1.00 0.00 0.00 64.86 65.21 3hjm h ILE 104 Cb 0.16 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 3hjm h ILE 104 CO -0.20 0.29 0.18 -1.28 0.00 0.00 0.00 178.15 177.13 3hjm h SER 105 N 0.53 0.21 -0.29 1.72 0.87 -1.17 0.13 113.55 115.55 3hjm h SER 105 Ca 0.13 0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.74 3hjm h SER 105 Cb 0.35 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.30 3hjm h SER 105 CO 0.01 0.16 0.17 0.25 -0.53 0.00 0.00 176.83 176.88 3hjm h LEU 106 N 0.36 0.28 -0.34 2.23 5.85 -1.07 -0.23 115.31 122.39 3hjm h LEU 106 Ca 0.20 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.93 3hjm h LEU 106 Cb 0.16 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3hjm h LEU 106 CO -0.18 0.20 0.21 0.40 -0.34 0.00 0.00 178.44 178.74 3hjm h ILE 107 N 0.35 1.06 0.18 4.05 1.08 -0.84 -1.70 117.51 121.70 3hjm h ILE 107 Ca 0.11 -0.15 -0.26 0.00 -0.39 0.00 0.00 64.86 64.18 3hjm h ILE 107 Cb -0.00 0.59 0.03 0.00 -3.07 0.00 0.00 36.82 34.36 3hjm h ILE 107 CO -0.05 0.08 -1.15 0.58 -0.69 0.00 0.00 178.15 176.91 3hjm h VAL 108 N 0.43 1.36 0.00 1.67 2.07 -0.64 -3.42 116.25 117.72 3hjm h VAL 108 Ca 0.13 -2.58 0.00 0.00 0.82 0.00 0.00 66.70 65.07 3hjm h VAL 108 Cb -0.03 3.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 3hjm h VAL 108 CO -0.04 0.76 -0.88 0.35 0.02 0.00 0.00 177.57 177.77 3hjm n THR 109 N -3.94 0.00 -2.68 2.57 -2.24 -0.11 -4.89 114.28 102.99 3hjm n THR 109 Ca -0.17 -0.25 -0.05 0.00 -2.27 0.00 0.00 64.05 61.31 3hjm n THR 109 Cb 0.94 0.69 0.10 0.00 -2.10 0.00 0.00 70.33 69.97 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 -1.49 -1.64 0.29 3.42 5.15 -0.85 -5.04 115.26 115.10 3hjm n ASN 110 Ca 0.00 -2.26 -0.16 0.00 -0.60 0.00 0.00 54.58 51.56 3hjm n ASN 110 Cb 0.20 0.89 -0.08 0.00 -0.53 0.00 0.00 39.78 40.25 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 1.56 -0.65 -0.01 1.20 3.20 -1.58 -0.92 116.97 119.78 3hjm h TYR 111 Ca -0.35 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.49 3hjm h TYR 111 Cb 1.28 0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.77 3hjm h TYR 111 CO 0.05 -0.40 -0.06 1.49 -1.64 0.00 0.00 178.16 177.60 3hjm h GLU 112 N -0.69 0.06 -0.28 1.82 4.81 -1.97 -2.51 114.58 115.82 3hjm h GLU 112 Ca -0.07 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.04 3hjm h GLU 112 Cb 0.53 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 3hjm h GLU 112 CO 0.11 0.73 -0.11 0.00 -0.73 0.00 0.00 179.01 179.00 3hjm h ALA 113 N 0.33 0.39 0.00 2.92 0.00 -2.00 -3.33 119.26 117.57 3hjm h ALA 113 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3hjm h ALA 113 Cb 0.74 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3hjm h ALA 113 CO 0.01 0.25 0.00 0.78 0.00 0.00 0.00 179.25 180.30 3hjm h GLY 114 N 0.32 0.00 0.26 0.00 0.00 -1.27 -3.39 103.07 98.99 3hjm h GLY 114 Ca 0.07 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.47 3hjm h GLY 114 CO 0.04 0.00 -0.12 1.70 0.00 0.00 0.00 176.54 178.16 3hjm h LYS 115 N 0.00 -0.05 -0.20 4.80 3.64 -1.56 -1.64 116.57 121.55 3hjm h LYS 115 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3hjm h LYS 115 Cb 0.95 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 3hjm h LYS 115 CO 0.00 -0.03 0.05 0.38 -2.27 0.00 0.00 179.45 177.58 3hjm h ASP 116 N -0.05 0.25 -0.22 4.20 -0.00 -1.82 0.23 116.42 119.01 3hjm h ASP 116 Ca 0.16 -0.02 -0.07 0.00 -0.00 0.00 0.00 57.03 57.10 3hjm h ASP 116 Cb 0.30 -0.06 -0.00 0.00 -0.00 0.00 0.00 39.33 39.56 3hjm h ASP 116 CO -0.37 0.26 -0.15 0.44 -0.00 0.00 0.00 179.24 179.42 3hjm h ASP 117 N 0.29 0.52 -0.63 4.15 3.32 -1.67 -2.08 116.42 120.31 3hjm h ASP 117 Ca 0.07 -0.44 -0.06 0.00 0.02 0.00 0.00 57.03 56.62 3hjm h ASP 117 Cb 0.11 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 3hjm h ASP 117 CO -0.00 0.85 0.17 0.22 -1.72 0.00 0.00 179.24 178.75 3hjm h TYR 118 N 0.20 1.04 0.00 4.55 3.20 -0.61 -1.48 116.97 123.87 3hjm h TYR 118 Ca 0.04 -0.12 -0.11 0.00 3.14 0.00 0.00 58.73 61.69 3hjm h TYR 118 Cb 0.68 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 3hjm h TYR 118 CO 0.07 0.87 -0.52 0.28 -1.64 0.00 0.00 178.16 177.21 3hjm h VAL 119 N 0.92 1.29 -0.16 1.81 2.07 -0.63 0.40 116.25 121.94 3hjm h VAL 119 Ca 0.20 -1.83 -0.15 0.00 0.82 0.00 0.00 66.70 65.73 3hjm h VAL 119 Cb 0.34 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 3hjm h VAL 119 CO -0.00 0.51 -0.54 0.50 0.02 0.00 0.00 177.57 178.06 3hjm h LYS 120 N 0.00 0.48 0.00 1.57 3.64 -1.10 -3.19 116.57 117.97 3hjm h LYS 120 Ca -0.01 -0.30 -0.13 0.00 -1.27 0.00 0.00 60.65 58.95 3hjm h LYS 120 Cb 0.97 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.80 3hjm h LYS 120 CO 0.07 0.90 -0.64 0.00 -2.27 0.00 0.00 179.45 177.50 3hjm h ALA 121 N 1.05 0.61 -0.53 5.00 0.00 -1.01 -3.40 119.26 120.98 3hjm h ALA 121 Ca 0.01 -0.56 0.10 0.00 0.00 0.00 0.00 54.91 54.46 3hjm h ALA 121 Cb 1.06 -0.08 -0.11 0.00 0.00 0.00 0.00 17.79 18.67 3hjm h ALA 121 CO 0.10 0.76 -0.26 1.25 0.00 0.00 0.00 179.25 181.10 3hjm h LEU 122 N 0.00 -0.88 -1.06 0.00 5.85 -0.91 -2.44 115.31 115.87 3hjm h LEU 122 Ca -0.01 0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.94 3hjm h LEU 122 Cb 1.47 0.47 -0.06 0.00 0.37 0.00 0.00 40.66 42.91 3hjm h LEU 122 CO 0.08 -0.27 0.64 -0.65 -0.34 0.00 0.00 178.44 177.89 3hjm h PRO 123 N -0.13 1.19 0.00 5.25 0.11 -1.77 -0.15 132.00 136.51 3hjm h PRO 123 Ca 0.24 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.24 3hjm h PRO 123 Cb 0.51 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 3hjm h PRO 123 CO -0.61 0.79 -0.19 0.78 -0.21 0.00 0.00 178.00 178.55 3hjm h GLY 124 N 1.23 0.00 2.00 -0.55 0.00 -1.75 -0.66 103.07 103.34 3hjm h GLY 124 Ca 0.38 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.55 3hjm h GLY 124 CO -0.11 0.00 -0.75 1.46 0.00 0.00 0.00 176.54 177.13 3hjm h GLN 125 N 0.00 0.00 0.06 4.80 1.08 -0.75 -3.33 115.11 116.96 3hjm h GLN 125 Ca -0.00 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 56.91 3hjm h GLN 125 Cb 0.40 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.81 3hjm h GLN 125 CO 0.03 0.75 -1.52 -0.07 -0.95 0.00 0.00 178.83 177.06 3hjm h LEU 126 N 0.00 0.19 -0.85 1.46 3.38 -0.90 -3.39 115.31 115.19 3hjm h LEU 126 Ca -0.01 -0.29 0.21 0.00 0.09 0.00 0.00 57.88 57.89 3hjm h LEU 126 Cb 1.38 -0.06 -0.15 0.00 0.09 0.00 0.00 40.66 41.92 3hjm h LEU 126 CO 0.10 1.25 0.09 0.50 0.09 0.00 0.00 178.44 180.46 3hjm h LYS 127 N 0.03 0.11 -0.51 1.13 3.64 -1.24 -1.85 116.57 117.89 3hjm h LYS 127 Ca -0.23 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.23 3hjm h LYS 127 Cb 1.97 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 33.73 3hjm h LYS 127 CO 0.12 0.08 0.35 -1.35 -2.27 0.00 0.00 179.45 176.37 3hjm h PRO 128 N 0.12 0.32 0.02 1.90 0.11 -1.78 0.11 132.00 132.80 3hjm h PRO 128 Ca 0.50 -0.02 -0.21 0.00 0.11 0.00 0.00 66.00 66.38 3hjm h PRO 128 Cb 0.97 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 3hjm h PRO 128 CO -0.72 0.21 -0.94 0.74 -0.21 0.00 0.00 178.00 177.08 3hjm h PHE 129 N 0.33 0.27 0.01 0.65 0.04 -1.62 0.09 116.94 116.70 3hjm h PHE 129 Ca 0.23 -0.16 -0.00 0.00 2.80 0.00 0.00 57.97 60.84 3hjm h PHE 129 Cb 0.49 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.61 3hjm h PHE 129 CO -0.00 1.01 -0.00 1.49 -0.60 0.00 0.00 178.31 180.21 3hjm h GLU 130 N 0.08 -0.01 -0.47 1.51 4.57 -1.35 -1.92 114.58 117.00 3hjm h GLU 130 Ca -0.05 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.18 3hjm h GLU 130 Cb 1.60 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 30.15 3hjm h GLU 130 CO 0.14 0.12 0.20 1.15 -1.18 0.00 0.00 179.01 179.44 3hjm h THR 131 N -0.14 0.90 -0.58 0.32 2.02 -0.62 -1.33 112.91 113.48 3hjm h THR 131 Ca -0.00 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.05 3hjm h THR 131 Cb 0.14 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 3hjm h THR 131 CO 0.00 0.07 0.37 -0.07 0.37 0.00 0.00 175.52 176.27 3hjm h LEU 132 N 0.39 0.67 -0.84 2.58 3.38 -0.95 -2.39 115.31 118.16 3hjm h LEU 132 Ca 0.21 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.22 3hjm h LEU 132 Cb 0.18 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 3hjm h LEU 132 CO -0.19 0.50 0.51 -0.07 0.09 0.00 0.00 178.44 179.29 3hjm h LEU 133 N 0.78 0.80 -2.29 1.67 3.38 -0.78 -2.58 115.31 116.30 3hjm h LEU 133 Ca 0.21 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.23 3hjm h LEU 133 Cb -0.07 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 3hjm h LEU 133 CO -0.04 0.51 0.09 0.77 0.09 0.00 0.00 178.44 179.86 3hjm h SER 134 N 0.93 0.00 -0.02 -0.43 4.64 -0.74 -0.16 113.55 117.77 3hjm h SER 134 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3hjm h SER 134 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3hjm h SER 134 CO -0.18 0.00 -0.04 0.00 -0.87 0.00 0.00 176.83 175.74 3hjm n GLN 135 N -3.95 2.06 -3.92 4.77 6.02 -0.98 -4.05 117.38 117.33 3hjm n GLN 135 Ca -0.01 -1.62 -0.30 0.00 -0.01 0.00 0.00 57.00 55.06 3hjm n GLN 135 Cb 0.20 -1.47 -0.14 0.00 1.02 0.00 0.00 30.24 29.85 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 -2.05 4.33 -1.58 1.08 2.47 -0.59 -4.82 114.94 113.77 3hjm s ASN 136 Ca 0.29 -2.66 -0.12 0.00 0.42 0.00 0.00 52.86 50.80 3hjm s ASN 136 Cb 0.20 -1.51 0.09 0.00 -1.45 0.00 0.00 41.25 38.58 3hjm s ASN 136 CO 0.33 -0.29 0.68 0.00 -3.72 0.00 0.00 177.10 174.11 3hjm n GLN 137 N 3.57 -3.49 -1.17 0.43 6.02 -1.26 -1.92 117.38 119.56 3hjm n GLN 137 Ca 0.05 0.41 -0.06 0.00 -0.01 0.00 0.00 57.00 57.39 3hjm n GLN 137 Cb 0.36 -4.94 -0.02 0.00 1.02 0.00 0.00 30.24 26.65 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 -1.65 0.68 1.55 1.08 0.00 -1.26 -2.37 105.19 103.23 3hjm n GLY 138 Ca -0.06 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.53 0.54 0.31 -0.02 0.00 -0.17 -4.79 105.19 100.53 3hjm n GLY 139 Ca -0.06 -0.64 0.12 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.78 0.91 0.00 1.61 5.02 -1.00 -4.77 118.16 117.15 3hjm n LYS 140 Ca 0.00 -0.62 0.00 0.00 -2.02 0.00 0.00 58.31 55.67 3hjm n LYS 140 Cb 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 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 -0.50 0.00 -4.41 -0.18 -2.24 -1.26 -5.14 114.28 100.54 3hjm n THR 141 Ca 0.11 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.67 3hjm n THR 141 Cb 0.38 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.53 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 0.39 1.72 0.30 4.78 0.08 -1.25 -5.02 117.98 118.98 3hjm s PHE 142 Ca 0.00 -1.36 0.03 0.00 0.12 0.00 0.00 56.93 55.72 3hjm s PHE 142 Cb 0.00 -0.99 0.47 0.00 -0.57 0.00 0.00 43.02 41.94 3hjm s PHE 142 CO 0.00 -0.45 1.77 0.97 -0.10 0.00 0.00 175.22 177.41 3hjm h ILE 143 N 2.01 1.24 -3.45 0.64 6.09 -1.95 -3.42 117.51 118.68 3hjm h ILE 143 Ca -0.33 -1.12 -0.40 0.00 -1.37 0.00 0.00 64.86 61.63 3hjm h ILE 143 Cb 1.26 1.24 -0.34 0.00 0.47 0.00 0.00 36.82 39.44 3hjm h ILE 143 CO 0.52 0.36 -0.77 -0.69 -3.07 0.00 0.00 178.15 174.51 3hjm s VAL 144 N -4.63 0.48 0.00 2.19 1.01 -1.26 -4.66 120.40 113.53 3hjm s VAL 144 Ca -0.07 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.83 3hjm s VAL 144 Cb 0.14 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 36.00 3hjm s VAL 144 CO 0.78 0.22 0.00 0.61 0.00 0.00 0.00 175.10 176.71 3hjm n GLY 145 N 4.14 0.05 0.57 4.51 0.00 -1.26 -4.31 105.19 108.89 3hjm n GLY 145 Ca -0.24 -0.96 0.06 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.37 1.54 -4.27 1.61 5.68 -1.26 -3.92 116.55 114.56 3hjm n ASP 146 Ca 0.00 -3.04 -0.20 0.00 -0.50 0.00 0.00 54.79 51.05 3hjm n ASP 146 Cb 0.00 -0.41 -0.11 0.00 -1.14 0.00 0.00 41.12 39.46 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 -2.09 1.11 0.36 0.11 -0.21 -1.26 -4.89 119.66 112.78 3hjm s GLN 147 Ca 0.30 -1.26 -0.28 0.00 0.02 0.00 0.00 55.36 54.13 3hjm s GLN 147 Cb 0.29 -1.11 -0.11 0.00 1.00 0.00 0.00 33.01 33.08 3hjm s GLN 147 CO -0.04 0.23 1.40 -1.50 -2.12 0.00 0.00 175.29 173.26 3hjm s ILE 148 N -1.90 2.36 0.38 1.08 2.07 -1.26 -4.83 121.20 119.10 3hjm s ILE 148 Ca 0.10 0.37 0.06 0.00 -1.41 0.00 0.00 60.65 59.77 3hjm s ILE 148 Cb -0.06 -3.23 -0.07 0.00 0.13 0.00 0.00 42.46 39.22 3hjm s ILE 148 CO 0.04 0.09 0.01 -0.94 -1.91 0.00 0.00 174.94 172.23 3hjm s SER 149 N -0.31 3.42 0.49 4.50 1.04 -1.26 -4.53 113.70 117.05 3hjm s SER 149 Ca 0.51 -1.35 0.16 0.00 0.48 0.00 0.00 55.95 55.75 3hjm s SER 149 Cb -0.43 -0.30 1.19 0.00 0.10 0.00 0.00 66.02 66.57 3hjm s SER 149 CO 0.58 -0.47 2.08 2.19 0.98 0.00 0.00 173.24 178.61 3hjm h PHE 150 N 1.90 0.00 -0.15 5.02 -5.15 -1.19 -2.45 116.94 114.92 3hjm h PHE 150 Ca -0.43 0.00 -0.05 0.00 -0.20 0.00 0.00 57.97 57.29 3hjm h PHE 150 Cb 1.24 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.40 3hjm h PHE 150 CO 0.69 0.08 -0.14 0.00 -2.00 0.00 0.00 178.31 176.94 3hjm h ALA 151 N 1.92 1.49 -0.19 12.09 0.00 -1.87 -2.78 119.26 129.92 3hjm h ALA 151 Ca -0.00 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.72 3hjm h ALA 151 Cb 0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3hjm h ALA 151 CO 0.01 0.36 0.03 -0.44 0.00 0.00 0.00 179.25 179.22 3hjm h ASP 152 N 0.23 0.01 -0.75 0.00 3.32 -1.84 -0.74 116.42 116.64 3hjm h ASP 152 Ca 0.05 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 3hjm h ASP 152 Cb 0.39 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.94 3hjm h ASP 152 CO 0.02 0.03 0.37 1.88 -1.72 0.00 0.00 179.24 179.82 3hjm h TYR 153 N 0.11 1.09 -0.17 4.55 0.05 -1.57 0.40 116.97 121.43 3hjm h TYR 153 Ca 0.08 -0.05 -0.06 0.00 0.05 0.00 0.00 58.73 58.76 3hjm h TYR 153 Cb 0.08 -0.34 -0.00 0.00 1.01 0.00 0.00 36.73 37.47 3hjm h TYR 153 CO -0.14 0.79 -0.12 -0.97 -1.05 0.00 0.00 178.16 176.67 3hjm h ASN 154 N 1.09 0.40 -0.56 3.88 -1.24 -1.44 -2.01 115.58 115.70 3hjm h ASN 154 Ca 0.27 -0.44 -0.06 0.00 0.71 0.00 0.00 56.30 56.77 3hjm h ASN 154 Cb 0.11 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.02 3hjm h ASN 154 CO -0.03 0.76 0.10 0.25 -1.29 0.00 0.00 177.43 177.21 3hjm h LEU 155 N 0.05 0.88 -0.10 0.34 5.85 -1.00 -1.68 115.31 119.64 3hjm h LEU 155 Ca 0.03 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.54 3hjm h LEU 155 Cb 0.63 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 3hjm h LEU 155 CO 0.03 0.91 -0.17 0.25 -0.34 0.00 0.00 178.44 179.12 3hjm h LEU 156 N 0.81 -0.52 -0.49 2.25 5.85 -0.89 0.45 115.31 122.77 3hjm h LEU 156 Ca 0.17 0.09 0.08 0.00 0.84 0.00 0.00 57.88 59.06 3hjm h LEU 156 Cb 0.40 0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.61 3hjm h LEU 156 CO 0.01 -0.22 0.13 -0.78 -0.34 0.00 0.00 178.44 177.24 3hjm h ASP 157 N -0.23 0.07 -0.86 1.25 3.58 -1.21 -1.00 116.42 118.03 3hjm h ASP 157 Ca 0.09 0.08 0.07 0.00 0.42 0.00 0.00 57.03 57.68 3hjm h ASP 157 Cb 0.35 0.09 -0.06 0.00 1.72 0.00 0.00 39.33 41.43 3hjm h ASP 157 CO -0.24 0.07 0.53 0.25 -2.88 0.00 0.00 179.24 176.97 3hjm h LEU 158 N 0.28 0.81 -0.65 2.28 5.85 -0.76 -0.75 115.31 122.38 3hjm h LEU 158 Ca 0.24 0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.85 3hjm h LEU 158 Cb 0.30 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3hjm h LEU 158 CO -0.29 0.51 -0.44 -0.07 -0.34 0.00 0.00 178.44 177.81 3hjm h LEU 159 N 0.94 0.58 -0.12 2.25 3.38 -0.22 -2.62 115.31 119.50 3hjm h LEU 159 Ca 0.38 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3hjm h LEU 159 Cb 0.21 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3hjm h LEU 159 CO -0.19 0.94 0.05 -0.07 0.09 0.00 0.00 178.44 179.27 3hjm h LEU 160 N 0.44 0.17 -1.14 1.67 3.38 -0.29 -1.35 115.31 118.19 3hjm h LEU 160 Ca 0.03 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 3hjm h LEU 160 Cb 0.95 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 3hjm h LEU 160 CO 0.08 0.28 -0.32 0.16 0.09 0.00 0.00 178.44 178.74 3hjm h ILE 161 N 0.04 0.83 -0.04 1.22 3.07 -1.23 -2.74 117.51 118.67 3hjm h ILE 161 Ca 0.04 -1.30 -0.21 0.00 1.55 0.00 0.00 64.86 64.94 3hjm h ILE 161 Cb 0.16 1.79 0.00 0.00 -0.27 0.00 0.00 36.82 38.51 3hjm h ILE 161 CO -0.00 0.31 -0.87 0.45 -1.05 0.00 0.00 178.15 176.99 3hjm h HIS 162 N 0.00 0.65 0.00 0.16 3.86 -1.29 -1.82 115.15 116.71 3hjm h HIS 162 Ca -0.00 -0.33 -0.05 0.00 -1.16 0.00 0.00 60.37 58.83 3hjm h HIS 162 Cb 0.77 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 29.15 3hjm h HIS 162 CO 0.00 1.13 -0.24 0.93 0.86 0.00 0.00 177.93 180.61 3hjm h GLU 163 N 0.28 0.00 0.02 2.45 4.39 -0.98 0.25 114.58 120.98 3hjm h GLU 163 Ca -0.06 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 3hjm h GLU 163 Cb 1.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.13 3hjm h GLU 163 CO 0.15 0.24 -0.01 0.28 -1.16 0.00 0.00 179.01 178.51 3hjm h VAL 164 N 0.00 1.39 -0.56 3.13 2.07 -1.44 -2.53 116.25 118.31 3hjm h VAL 164 Ca -0.00 -1.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.23 3hjm h VAL 164 Cb 0.45 2.25 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 3hjm h VAL 164 CO 0.03 0.33 0.31 0.25 0.02 0.00 0.00 177.57 178.51 3hjm h LEU 165 N -0.57 0.70 -6.45 2.57 5.85 -1.10 -3.37 115.31 112.95 3hjm h LEU 165 Ca -0.00 -0.09 -0.59 0.00 0.84 0.00 0.00 57.88 58.04 3hjm h LEU 165 Cb 0.55 -0.18 -0.39 0.00 0.37 0.00 0.00 40.66 41.01 3hjm h LEU 165 CO 0.00 0.59 -0.91 0.00 -0.34 0.00 0.00 178.44 177.78 3hjm n ALA 166 N -2.30 2.95 -1.59 1.25 0.00 0.86 -5.10 120.51 116.58 3hjm n ALA 166 Ca 0.03 -3.43 -0.55 0.00 0.00 0.00 0.00 53.44 49.49 3hjm n ALA 166 Cb 0.08 -0.81 -0.07 0.00 0.00 0.00 0.00 19.45 18.66 3hjm n ALA 166 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3hjm n PRO 167 N 2.49 0.81 -0.93 0.00 -0.02 -0.95 -1.03 135.00 135.36 3hjm n PRO 167 Ca 0.27 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3hjm n PRO 167 Cb 0.46 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 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 2.57 0.49 0.20 -1.23 0.00 -1.26 -4.95 105.19 101.02 3hjm n GLY 168 Ca 0.20 -0.38 0.15 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.58 2.32 0.11 0.00 4.77 -1.26 -4.48 117.00 115.89 3hjm n LEU 170 Ca 0.00 -0.95 0.01 0.00 -0.03 0.00 0.00 56.01 55.04 3hjm n LEU 170 Cb 0.19 0.00 0.32 0.00 -2.33 0.00 0.00 43.42 41.60 3hjm n LEU 170 CO 0.20 0.41 0.78 0.44 -1.33 0.00 0.00 177.39 177.89 3hjm h ASP 171 N 3.17 0.21 0.57 -1.43 3.32 -1.91 -1.03 116.42 119.33 3hjm h ASP 171 Ca 0.00 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3hjm h ASP 171 Cb 0.71 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.21 3hjm h ASP 171 CO 0.00 0.48 0.00 0.00 -1.72 0.00 0.00 179.24 178.00 3hjm n ALA 172 N -2.48 1.67 -3.90 3.45 0.00 -1.26 -4.60 120.51 113.38 3hjm n ALA 172 Ca -0.01 -0.01 -0.29 0.00 0.00 0.00 0.00 53.44 53.13 3hjm n ALA 172 Cb 0.36 -1.28 -0.13 0.00 0.00 0.00 0.00 19.45 18.40 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 -3.09 3.13 0.31 0.00 0.08 -0.39 -5.00 117.98 113.01 3hjm s PHE 173 Ca 0.06 -3.13 0.04 0.00 0.12 0.00 0.00 56.93 54.02 3hjm s PHE 173 Cb 0.09 -2.65 0.51 0.00 -0.57 0.00 0.00 43.02 40.41 3hjm s PHE 173 CO 0.31 -0.69 1.78 -1.00 -0.10 0.00 0.00 175.22 175.52 3hjm h PRO 174 N 6.18 0.44 -0.26 0.24 0.13 -1.81 -0.20 132.00 136.72 3hjm h PRO 174 Ca 0.00 -0.14 -0.05 0.00 -0.87 0.00 0.00 66.00 64.94 3hjm h PRO 174 Cb 0.85 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.94 3hjm h PRO 174 CO 0.67 0.61 -0.04 -0.07 -0.23 0.00 0.00 178.00 178.94 3hjm h LEU 175 N 0.40 0.48 -0.61 1.56 3.38 -1.93 -1.37 115.31 117.22 3hjm h LEU 175 Ca 0.07 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 3hjm h LEU 175 Cb 0.56 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3hjm h LEU 175 CO 0.04 0.72 0.30 -0.07 0.09 0.00 0.00 178.44 179.51 3hjm h LEU 176 N 0.23 0.79 -0.03 1.67 3.38 -1.83 -0.75 115.31 118.77 3hjm h LEU 176 Ca 0.07 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3hjm h LEU 176 Cb 0.50 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3hjm h LEU 176 CO 0.02 0.69 -0.04 0.28 0.09 0.00 0.00 178.44 179.48 3hjm h SER 177 N 0.83 -0.11 0.38 -0.43 0.02 -0.99 -1.92 113.55 111.33 3hjm h SER 177 Ca 0.21 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.12 3hjm h SER 177 Cb 0.10 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 3hjm h SER 177 CO -0.03 -0.06 -0.28 0.00 -1.14 0.00 0.00 176.83 175.32 3hjm h ALA 178 N 0.97 1.38 -0.12 3.77 0.00 -1.10 -2.97 119.26 121.19 3hjm h ALA 178 Ca 0.03 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 3hjm h ALA 178 Cb 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3hjm h ALA 178 CO -0.06 0.35 -0.40 -0.92 0.00 0.00 0.00 179.25 178.22 3hjm h TYR 179 N 0.00 0.65 -0.37 0.00 3.20 -0.84 -0.58 116.97 119.02 3hjm h TYR 179 Ca -0.00 -0.26 0.02 0.00 3.14 0.00 0.00 58.73 61.63 3hjm h TYR 179 Cb 0.55 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.68 3hjm h TYR 179 CO 0.00 1.01 0.20 0.28 -1.64 0.00 0.00 178.16 178.02 3hjm h VAL 180 N 0.10 1.01 -0.58 1.81 2.07 -1.31 -0.09 116.25 119.25 3hjm h VAL 180 Ca -0.02 -0.14 -0.07 0.00 0.82 0.00 0.00 66.70 67.29 3hjm h VAL 180 Cb 1.03 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3hjm h VAL 180 CO 0.09 0.08 0.09 1.23 0.02 0.00 0.00 177.57 179.07 3hjm h GLY 181 N 0.41 1.04 0.66 2.17 0.00 -1.48 -0.59 103.07 105.28 3hjm h GLY 181 Ca 0.15 -0.70 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 3hjm h GLY 181 CO -0.09 0.65 -0.04 -0.09 0.00 0.00 0.00 176.54 176.96 3hjm h ARG 182 N 0.87 -0.12 -0.27 4.80 2.43 -0.95 -3.01 114.38 118.13 3hjm h ARG 182 Ca 0.18 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.26 3hjm h ARG 182 Cb 0.42 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 3hjm h ARG 182 CO 0.01 0.22 -0.22 -0.07 -1.51 0.00 0.00 179.97 178.39 3hjm h LEU 183 N -0.47 0.51 -2.06 3.80 3.38 -1.00 -2.92 115.31 116.55 3hjm h LEU 183 Ca -0.01 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 3hjm h LEU 183 Cb 0.39 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3hjm h LEU 183 CO 0.02 0.74 -0.07 0.28 0.09 0.00 0.00 178.44 179.49 3hjm h SER 184 N 0.45 0.00 0.71 -0.43 0.02 -1.11 -2.71 113.55 110.49 3hjm h SER 184 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3hjm h SER 184 Cb 0.64 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.18 3hjm h SER 184 CO 0.05 0.07 -0.49 0.00 -1.14 0.00 0.00 176.83 175.32 3hjm n ALA 185 N -2.21 3.15 -1.69 3.77 0.00 -1.10 -2.98 120.51 119.44 3hjm n ALA 185 Ca -0.02 -0.28 -0.52 0.00 0.00 0.00 0.00 53.44 52.62 3hjm n ALA 185 Cb 0.21 -1.18 -0.06 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.75 1.69 -0.20 0.00 1.74 -1.02 -4.68 116.66 112.44 3hjm n ARG 186 Ca 0.05 0.62 -0.02 0.00 -0.77 0.00 0.00 57.85 57.73 3hjm n ARG 186 Cb 0.38 -2.39 0.04 0.00 -1.02 0.00 0.00 32.46 29.47 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 8.11 -0.06 -0.28 5.56 0.11 -1.91 0.16 132.00 143.68 3hjm h PRO 187 Ca -0.47 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 3hjm h PRO 187 Cb 1.29 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.40 3hjm h PRO 187 CO 0.95 -0.04 -0.08 0.87 -0.21 0.00 0.00 178.00 179.48 3hjm h LYS 188 N -0.07 0.46 -0.03 1.05 1.57 -1.89 -1.99 116.57 115.68 3hjm h LYS 188 Ca 0.28 -0.11 -0.08 0.00 -1.87 0.00 0.00 60.65 58.87 3hjm h LYS 188 Cb 0.50 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3hjm h LYS 188 CO -0.65 0.55 -0.29 1.25 -0.57 0.00 0.00 179.45 179.74 3hjm h LEU 189 N 0.43 0.30 -0.49 2.94 5.85 -1.54 -2.55 115.31 120.26 3hjm h LEU 189 Ca 0.09 -0.71 0.10 0.00 0.84 0.00 0.00 57.88 58.19 3hjm h LEU 189 Cb 0.42 -0.09 -0.10 0.00 0.37 0.00 0.00 40.66 41.26 3hjm h LEU 189 CO 0.02 0.97 -0.17 0.50 -0.34 0.00 0.00 178.44 179.42 3hjm h LYS 190 N -0.34 -0.05 -0.93 1.25 3.64 -0.64 0.05 116.57 119.54 3hjm h LYS 190 Ca -0.03 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.38 3hjm h LYS 190 Cb 0.99 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.77 3hjm h LYS 190 CO 0.06 -0.04 0.61 0.00 -2.27 0.00 0.00 179.45 177.81 3hjm h ALA 191 N 1.36 1.21 -0.37 5.00 0.00 -1.40 -2.32 119.26 122.75 3hjm h ALA 191 Ca 0.23 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 3hjm h ALA 191 Cb 0.42 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3hjm h ALA 191 CO -0.53 0.50 0.01 0.35 0.00 0.00 0.00 179.25 179.58 3hjm h PHE 192 N 1.20 0.70 0.00 0.00 3.57 -1.05 -1.95 116.94 119.41 3hjm h PHE 192 Ca 0.36 -0.12 -0.06 0.00 3.53 0.00 0.00 57.97 61.68 3hjm h PHE 192 Cb -0.04 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 3hjm h PHE 192 CO -0.01 0.73 -0.29 -0.07 -2.23 0.00 0.00 178.31 176.44 3hjm h LEU 193 N 0.46 0.00 0.00 0.59 3.38 -0.85 -2.38 115.31 116.51 3hjm h LEU 193 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3hjm h LEU 193 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3hjm h LEU 193 CO 0.02 0.29 -0.29 0.00 0.09 0.00 0.00 178.44 178.55 3hjm h ALA 194 N 1.71 0.82 -2.56 1.53 0.00 -1.34 -3.40 119.26 116.02 3hjm h ALA 194 Ca -0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 3hjm h ALA 194 Cb 0.63 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.44 3hjm h ALA 194 CO 0.04 0.00 0.43 -1.54 0.00 0.00 0.00 179.25 178.18 3hjm s SER 195 N -4.68 6.73 0.56 0.00 1.04 -0.74 -4.84 113.70 111.77 3hjm s SER 195 Ca 0.08 2.09 0.25 0.00 0.48 0.00 0.00 55.95 58.85 3hjm s SER 195 Cb 0.12 -2.59 1.57 0.00 0.10 0.00 0.00 66.02 65.21 3hjm s SER 195 CO 0.66 -0.51 2.15 1.55 0.98 0.00 0.00 173.24 178.06 3hjm h PRO 196 N 2.56 0.00 0.00 4.02 0.13 -1.92 -0.21 132.00 136.59 3hjm h PRO 196 Ca -0.48 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 3hjm h PRO 196 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 3hjm h PRO 196 CO 0.62 0.00 -0.17 1.05 -0.23 0.00 0.00 178.00 179.27 3hjm h GLU 197 N 0.00 0.00 0.00 0.86 4.11 -1.93 0.15 114.58 117.78 3hjm h GLU 197 Ca 0.06 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.31 3hjm h GLU 197 Cb 0.28 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 3hjm h GLU 197 CO -0.00 0.17 -1.17 0.98 0.07 0.00 0.00 179.01 179.06 3hjm n TYR 198 N -3.62 0.83 -0.15 2.06 9.36 -0.73 -4.42 117.16 120.49 3hjm n TYR 198 Ca -0.01 0.36 -0.03 0.00 3.32 0.00 0.00 57.90 61.53 3hjm n TYR 198 Cb 0.30 -0.96 0.18 0.00 -0.63 0.00 0.00 39.34 38.23 3hjm n TYR 198 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 3hjm h VAL 199 N -1.00 1.23 -0.42 2.97 2.07 -0.96 -2.94 116.25 117.20 3hjm h VAL 199 Ca -0.27 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.46 3hjm h VAL 199 Cb 1.09 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 3hjm h VAL 199 CO -0.16 0.30 0.00 0.59 0.02 0.00 0.00 177.57 178.32 3hjm n ASN 200 N -4.28 2.32 -4.86 0.57 3.02 0.53 -4.80 115.26 107.76 3hjm n ASN 200 Ca 0.04 -1.98 -0.36 0.00 -0.03 0.00 0.00 54.58 52.25 3hjm n ASN 200 Cb 0.21 -0.28 -0.06 0.00 -0.61 0.00 0.00 39.78 39.05 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 -1.05 4.40 0.60 3.41 1.43 -1.11 -5.03 118.68 121.33 3hjm s LEU 201 Ca 0.30 0.76 -0.16 0.00 -1.03 0.00 0.00 54.13 53.99 3hjm s LEU 201 Cb 0.16 -2.66 -0.03 0.00 0.03 0.00 0.00 46.19 43.68 3hjm s LEU 201 CO 0.21 0.27 1.08 -2.16 0.23 0.00 0.00 176.35 175.97 3hjm s PRO 202 N -1.49 3.23 0.05 1.29 0.04 -1.26 -4.78 135.00 132.08 3hjm s PRO 202 Ca 0.26 1.31 -0.26 0.00 0.04 0.00 0.00 61.00 62.35 3hjm s PRO 202 Cb -0.14 -2.01 -0.17 0.00 0.04 0.00 0.00 34.50 32.21 3hjm s PRO 202 CO 0.14 -0.90 1.54 0.82 0.04 0.00 0.00 177.00 178.65 3hjm h ILE 203 N 0.50 0.78 -1.74 0.56 2.04 -1.95 0.37 117.51 118.08 3hjm h ILE 203 Ca -0.47 -0.25 -0.61 0.00 1.00 0.00 0.00 64.86 64.52 3hjm h ILE 203 Cb 1.23 0.93 -0.12 0.00 -0.74 0.00 0.00 36.82 38.11 3hjm h ILE 203 CO 0.57 0.06 -0.60 0.20 0.00 0.00 0.00 178.15 178.37 3hjm s ASN 204 N -4.99 3.95 0.22 1.72 0.01 -1.26 -0.86 114.94 113.72 3hjm s ASN 204 Ca -0.15 -1.26 0.02 0.00 -0.71 0.00 0.00 52.86 50.76 3hjm s ASN 204 Cb 0.04 -0.41 0.18 0.00 0.41 0.00 0.00 41.25 41.47 3hjm s ASN 204 CO 0.62 -0.39 1.52 1.23 -1.51 0.00 0.00 177.10 178.57 3hjm h GLY 205 N 1.78 0.35 -1.90 0.66 0.00 -1.89 -3.26 103.07 98.80 3hjm h GLY 205 Ca -0.43 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.45 3hjm h GLY 205 CO 0.76 0.40 0.00 1.16 0.00 0.00 0.00 176.54 178.86 3hjm n ASN 206 N -3.87 2.81 0.00 0.19 6.94 -1.26 -4.90 115.26 115.16 3hjm n ASN 206 Ca -0.03 -2.15 0.00 0.00 -0.02 0.00 0.00 54.58 52.38 3hjm n ASN 206 Cb 0.64 -0.39 0.00 0.00 -2.36 0.00 0.00 39.78 37.67 3hjm n ASN 206 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hjm n GLY 207 N 0.99 0.20 3.90 4.83 0.00 -1.23 -5.00 105.19 108.87 3hjm n GLY 207 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.19 3.67 0.00 1.61 1.02 -1.26 -5.01 119.74 118.58 3hjm s LYS 208 Ca 0.00 0.16 0.00 0.00 0.02 0.00 0.00 55.97 56.15 3hjm s LYS 208 Cb 0.00 -2.54 0.00 0.00 -0.52 0.00 0.00 37.83 34.77 3hjm s LYS 208 CO 0.00 0.10 0.00 0.00 -0.92 0.00 0.00 175.35 174.53