#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hj1 n HIS 0 N 0.00 -0.31 -0.42 1.61 -0.00 -1.26 -4.91 115.22 109.93 3hj1 n HIS 0 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.83 3hj1 n HIS 0 Cb 0.00 -2.96 0.32 0.00 -0.00 0.00 0.00 29.99 27.36 3hj1 n HIS 0 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 3hj1 n MET 1 N -2.53 2.97 -1.66 -0.41 0.00 -1.26 -5.00 117.12 109.23 3hj1 n MET 1 Ca -0.17 -2.68 -0.46 0.00 0.00 0.00 0.00 57.70 54.39 3hj1 n MET 1 Cb 0.57 -1.62 -0.03 0.00 0.00 0.00 0.00 33.22 32.13 3hj1 n MET 1 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 3hj1 n ASN 2 N 1.45 2.67 -0.68 7.83 2.85 -1.26 -4.91 115.26 123.22 3hj1 n ASN 2 Ca 0.24 1.13 0.02 0.00 -0.11 0.00 0.00 54.58 55.86 3hj1 n ASN 2 Cb 0.67 -1.40 0.03 0.00 1.24 0.00 0.00 39.78 40.32 3hj1 n ASN 2 CO 0.00 0.00 0.00 0.55 -2.11 0.00 0.00 177.26 175.70 3hj1 n VAL 3 N 2.29 0.32 -0.15 3.44 3.14 -1.26 -4.90 118.33 121.22 3hj1 n VAL 3 Ca 0.14 -0.63 -0.03 0.00 -2.96 0.00 0.00 64.34 60.85 3hj1 n VAL 3 Cb 0.30 0.50 0.03 0.00 -1.06 0.00 0.00 33.84 33.60 3hj1 n VAL 3 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3hj1 h ALA 4 N 0.27 0.34 -0.60 1.55 0.00 -1.86 -1.78 119.26 117.17 3hj1 h ALA 4 Ca -0.05 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3hj1 h ALA 4 Cb 1.45 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 19.55 3hj1 h ALA 4 CO 0.02 -0.43 0.27 -0.22 0.00 0.00 0.00 179.25 178.89 3hj1 h LYS 5 N 0.02 0.88 -0.56 0.00 3.64 -1.88 -0.50 116.57 118.17 3hj1 h LYS 5 Ca 0.23 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3hj1 h LYS 5 Cb 0.35 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 3hj1 h LYS 5 CO -0.46 0.73 0.35 -0.09 -2.27 0.00 0.00 179.45 177.70 3hj1 h ARG 6 N 0.83 0.75 -0.08 1.90 2.43 -1.85 -2.02 114.38 116.34 3hj1 h ARG 6 Ca 0.21 -0.06 -0.16 0.00 -0.81 0.00 0.00 59.98 59.16 3hj1 h ARG 6 Cb 0.15 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 3hj1 h ARG 6 CO -0.02 0.52 -0.64 0.93 -1.51 0.00 0.00 179.97 179.26 3hj1 h GLU 7 N 0.76 0.29 -0.32 0.20 4.39 -1.04 -1.56 114.58 117.30 3hj1 h GLU 7 Ca 0.20 -0.21 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 3hj1 h GLU 7 Cb -0.05 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 3hj1 h GLU 7 CO -0.04 0.83 0.05 0.35 -1.16 0.00 0.00 179.01 179.04 3hj1 h PHE 8 N 0.21 0.58 -0.58 4.33 3.57 -0.94 0.22 116.94 124.33 3hj1 h PHE 8 Ca -0.01 -0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.38 3hj1 h PHE 8 Cb 1.16 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.72 3hj1 h PHE 8 CO 0.03 0.62 0.26 0.82 -2.23 0.00 0.00 178.31 177.80 3hj1 h ILE 9 N 0.37 1.22 0.12 1.41 2.04 -1.31 0.05 117.51 121.41 3hj1 h ILE 9 Ca 0.10 -0.64 0.01 0.00 1.00 0.00 0.00 64.86 65.33 3hj1 h ILE 9 Cb 0.36 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 3hj1 h ILE 9 CO 0.01 0.25 -0.16 -0.09 0.00 0.00 0.00 178.15 178.16 3hj1 h ARG 10 N 0.79 -0.32 -1.00 2.37 2.43 -1.06 -1.77 114.38 115.82 3hj1 h ARG 10 Ca 0.20 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.43 3hj1 h ARG 10 Cb 0.16 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.72 3hj1 h ARG 10 CO -0.02 -0.21 0.65 0.78 -1.51 0.00 0.00 179.97 179.66 3hj1 h GLY 11 N -0.33 1.48 1.28 2.80 0.00 -0.33 -1.78 103.07 106.19 3hj1 h GLY 11 Ca 0.01 -0.49 -0.23 0.00 0.00 0.00 0.00 47.33 46.62 3hj1 h GLY 11 CO -0.07 0.40 -0.87 0.00 0.00 0.00 0.00 176.54 176.00 3hj1 h MET 12 N 1.24 0.68 0.00 4.80 -0.00 -0.83 -1.00 114.93 119.82 3hj1 h MET 12 Ca 0.41 -0.62 -0.08 0.00 -0.00 0.00 0.00 59.70 59.40 3hj1 h MET 12 Cb 0.05 0.15 -0.01 0.00 -0.00 0.00 0.00 31.60 31.79 3hj1 h MET 12 CO -0.14 1.23 -0.38 0.52 -0.00 0.00 0.00 176.91 178.15 3hj1 h MET 13 N 0.43 0.00 -0.23 -0.10 2.86 -1.25 -1.13 114.93 115.51 3hj1 h MET 13 Ca -0.08 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.38 3hj1 h MET 13 Cb 1.51 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.16 3hj1 h MET 13 CO 0.17 0.38 -0.57 0.00 1.06 0.00 0.00 176.91 177.95 3hj1 h ALA 14 N 1.62 0.56 -0.47 6.32 0.00 -1.09 -1.32 119.26 124.88 3hj1 h ALA 14 Ca -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3hj1 h ALA 14 Cb 0.70 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3hj1 h ALA 14 CO 0.05 0.69 0.31 1.25 0.00 0.00 0.00 179.25 181.54 3hj1 h HIS 15 N 0.56 0.59 0.29 0.00 2.76 -1.00 0.15 115.15 118.50 3hj1 h HIS 15 Ca 0.01 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 3hj1 h HIS 15 Cb 1.15 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 29.88 3hj1 h HIS 15 CO 0.06 0.38 -0.39 -0.92 -1.30 0.00 0.00 177.93 175.75 3hj1 h TYR 16 N 0.63 -1.08 -1.00 5.26 3.20 -1.17 -1.61 116.97 121.20 3hj1 h TYR 16 Ca 0.17 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.13 3hj1 h TYR 16 Cb -0.07 0.43 -0.07 0.00 1.54 0.00 0.00 36.73 38.57 3hj1 h TYR 16 CO -0.04 -0.53 0.65 0.00 -1.64 0.00 0.00 178.16 176.60 3hj1 h ARG 17 N -0.74 1.12 -0.52 1.82 2.47 -0.89 -0.58 114.38 117.06 3hj1 h ARG 17 Ca -0.01 -0.07 -0.02 0.00 -1.26 0.00 0.00 59.98 58.62 3hj1 h ARG 17 Cb 0.70 -0.25 -0.03 0.00 -1.65 0.00 0.00 29.97 28.74 3hj1 h ARG 17 CO -0.12 0.74 0.23 0.00 0.56 0.00 0.00 179.97 181.38 3hj1 h ALA 18 N 1.46 1.43 0.00 0.04 0.00 -0.54 -3.13 119.26 118.53 3hj1 h ALA 18 Ca 0.44 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3hj1 h ALA 18 Cb 0.21 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3hj1 h ALA 18 CO -0.18 0.44 0.00 0.66 0.00 0.00 0.00 179.25 180.17 3hj1 h SER 19 N 0.73 0.00 -3.22 0.00 4.64 -0.10 -3.46 113.55 112.14 3hj1 h SER 19 Ca 0.18 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.98 3hj1 h SER 19 Cb 0.11 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.24 3hj1 h SER 19 CO -0.02 0.00 0.74 -0.76 -0.87 0.00 0.00 176.83 175.92 3hj1 s LEU 20 N -5.01 4.39 0.32 5.97 1.43 -1.05 -4.15 118.68 120.58 3hj1 s LEU 20 Ca 0.09 2.52 -0.28 0.00 -1.03 0.00 0.00 54.13 55.42 3hj1 s LEU 20 Cb 0.10 -3.61 -0.13 0.00 0.03 0.00 0.00 46.19 42.59 3hj1 s LEU 20 CO 0.60 -0.66 1.24 -2.65 0.23 0.00 0.00 176.35 175.10 3hj1 n PRO 21 N 2.98 1.94 -0.74 1.29 -0.02 -1.26 -4.80 135.00 134.39 3hj1 n PRO 21 Ca 0.09 0.68 -0.29 0.00 -2.02 0.00 0.00 63.50 61.96 3hj1 n PRO 21 Cb 0.41 -2.22 0.21 0.00 -0.02 0.00 0.00 33.50 31.88 3hj1 n PRO 21 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3hj1 s PRO 22 N -1.68 -0.18 0.29 0.52 0.04 -1.26 -4.86 135.00 127.87 3hj1 s PRO 22 Ca 0.57 0.90 0.04 0.00 0.04 0.00 0.00 61.00 62.55 3hj1 s PRO 22 Cb -0.61 -1.64 0.70 0.00 0.04 0.00 0.00 34.50 33.00 3hj1 s PRO 22 CO 0.61 -3.24 1.74 -1.35 0.04 0.00 0.00 177.00 174.79 3hj1 h PRO 23 N -2.28 0.56 -0.22 0.56 0.11 -2.06 -1.41 132.00 127.25 3hj1 h PRO 23 Ca -0.56 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.51 3hj1 h PRO 23 Cb 1.32 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3hj1 h PRO 23 CO 0.51 0.37 0.00 0.39 -0.21 0.00 0.00 178.00 179.05 3hj1 n GLU 24 N -4.91 1.47 -0.14 1.05 1.02 -1.26 -4.33 120.64 113.54 3hj1 n GLU 24 Ca 0.22 -0.71 -0.05 0.00 -0.02 0.00 0.00 57.16 56.59 3hj1 n GLU 24 Cb 0.59 -1.17 0.13 0.00 -0.02 0.00 0.00 31.44 30.96 3hj1 n GLU 24 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3hj1 h HIS 25 N 1.15 0.94 -0.67 -0.32 2.76 -1.58 -2.17 115.15 115.25 3hj1 h HIS 25 Ca 0.00 -0.13 0.00 0.00 -2.20 0.00 0.00 60.37 58.04 3hj1 h HIS 25 Cb 0.28 -0.26 -0.03 0.00 1.55 0.00 0.00 27.41 28.95 3hj1 h HIS 25 CO 0.14 0.84 0.43 0.66 -1.30 0.00 0.00 177.93 178.69 3hj1 h SER 26 N 0.82 0.78 -0.28 3.26 4.64 -1.82 0.13 113.55 121.09 3hj1 h SER 26 Ca 0.16 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.42 3hj1 h SER 26 Cb 0.46 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 3hj1 h SER 26 CO 0.02 0.58 0.06 0.58 -0.87 0.00 0.00 176.83 177.21 3hj1 h VAL 27 N 0.92 1.22 -0.41 0.95 2.07 -1.75 -0.93 116.25 118.32 3hj1 h VAL 27 Ca 0.24 -0.72 0.05 0.00 0.82 0.00 0.00 66.70 67.09 3hj1 h VAL 27 Cb -0.08 1.16 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 3hj1 h VAL 27 CO -0.05 0.24 0.15 0.58 0.02 0.00 0.00 177.57 178.51 3hj1 h VAL 28 N 0.28 0.88 -0.53 2.57 2.07 -0.75 -0.84 116.25 119.94 3hj1 h VAL 28 Ca 0.09 -0.11 -0.10 0.00 0.82 0.00 0.00 66.70 67.39 3hj1 h VAL 28 Cb 0.29 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 3hj1 h VAL 28 CO 0.00 0.06 -0.07 0.40 0.02 0.00 0.00 177.57 177.98 3hj1 h ILE 29 N 0.32 1.27 -0.44 4.57 1.08 -0.90 -1.20 117.51 122.21 3hj1 h ILE 29 Ca 0.19 -1.21 0.03 0.00 -0.39 0.00 0.00 64.86 63.48 3hj1 h ILE 29 Cb 0.17 0.97 -0.03 0.00 -3.07 0.00 0.00 36.82 34.86 3hj1 h ILE 29 CO -0.19 0.43 0.23 -0.74 -0.69 0.00 0.00 178.15 177.19 3hj1 h HIS 30 N 0.85 0.43 -0.38 1.37 2.76 -0.95 -0.29 115.15 118.95 3hj1 h HIS 30 Ca 0.14 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.29 3hj1 h HIS 30 Cb 0.63 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.44 3hj1 h HIS 30 CO 0.04 0.23 0.08 0.93 -1.30 0.00 0.00 177.93 177.91 3hj1 h GLU 31 N 0.47 0.57 -0.48 5.26 4.39 -0.95 -1.54 114.58 122.30 3hj1 h GLU 31 Ca 0.18 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.75 3hj1 h GLU 31 Cb 0.07 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 3hj1 h GLU 31 CO -0.11 0.53 0.14 1.25 -1.16 0.00 0.00 179.01 179.66 3hj1 h LEU 32 N 0.55 0.70 -0.91 1.33 5.85 -0.62 -1.89 115.31 120.33 3hj1 h LEU 32 Ca 0.13 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.66 3hj1 h LEU 32 Cb 0.24 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 3hj1 h LEU 32 CO -0.00 0.72 0.59 -0.61 -0.34 0.00 0.00 178.44 178.81 3hj1 h GLN 33 N 0.64 1.14 -0.60 1.25 -0.00 -0.66 -1.97 115.11 114.91 3hj1 h GLN 33 Ca 0.15 -0.07 -0.10 0.00 -0.00 0.00 0.00 58.65 58.63 3hj1 h GLN 33 Cb 0.28 -0.26 -0.02 0.00 0.00 0.00 0.00 27.48 27.48 3hj1 h GLN 33 CO -0.00 0.75 -0.02 0.87 0.00 0.00 0.00 178.83 180.43 3hj1 h LYS 34 N 1.17 1.07 -0.17 1.69 1.57 -1.11 0.30 116.57 121.09 3hj1 h LYS 34 Ca 0.35 -0.35 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3hj1 h LYS 34 Cb -0.04 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 3hj1 h LYS 34 CO -0.10 1.06 0.03 0.00 -0.57 0.00 0.00 179.45 179.86 3hj1 h ARG 35 N 0.97 0.09 -0.44 3.15 3.08 -1.09 -0.21 114.38 119.94 3hj1 h ARG 35 Ca 0.17 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 60.11 3hj1 h ARG 35 Cb 0.58 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 3hj1 h ARG 35 CO 0.03 0.06 -0.14 0.28 -1.07 0.00 0.00 179.97 179.14 3hj1 h VAL 36 N 0.10 1.26 -0.99 2.04 2.07 -1.24 -1.62 116.25 117.87 3hj1 h VAL 36 Ca 0.08 -1.23 0.03 0.00 0.82 0.00 0.00 66.70 66.39 3hj1 h VAL 36 Cb 0.07 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 3hj1 h VAL 36 CO -0.11 0.42 0.65 0.25 0.02 0.00 0.00 177.57 178.80 3hj1 h LEU 37 N 0.73 1.09 -0.55 2.57 5.85 -0.77 0.22 115.31 124.46 3hj1 h LEU 37 Ca 0.12 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.85 3hj1 h LEU 37 Cb 0.64 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 3hj1 h LEU 37 CO 0.04 0.76 0.31 0.44 -0.34 0.00 0.00 178.44 179.66 3hj1 h ASP 38 N 1.28 0.49 -0.24 1.25 3.32 -0.32 0.97 116.42 123.17 3hj1 h ASP 38 Ca 0.38 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.41 3hj1 h ASP 38 Cb -0.05 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3hj1 h ASP 38 CO -0.11 0.34 0.02 0.40 -1.72 0.00 0.00 179.24 178.17 3hj1 h ILE 39 N 0.62 1.24 -0.87 0.35 2.04 -0.72 -3.00 117.51 117.17 3hj1 h ILE 39 Ca 0.23 -0.83 0.12 0.00 1.00 0.00 0.00 64.86 65.38 3hj1 h ILE 39 Cb 0.07 1.32 -0.08 0.00 -0.74 0.00 0.00 36.82 37.39 3hj1 h ILE 39 CO -0.12 0.26 0.49 1.23 0.00 0.00 0.00 178.15 180.01 3hj1 h GLY 40 N 0.20 1.39 2.00 5.37 0.00 -0.12 -2.06 103.07 109.85 3hj1 h GLY 40 Ca 0.07 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 3hj1 h GLY 40 CO 0.01 0.06 -0.01 -0.33 0.00 0.00 0.00 176.54 176.26 3hj1 h MET 41 N 0.75 0.00 0.00 4.80 2.86 -0.68 -1.98 114.93 120.68 3hj1 h MET 41 Ca 0.45 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.90 3hj1 h MET 41 Cb 0.53 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.16 3hj1 h MET 41 CO -0.30 0.01 -0.88 -0.07 1.06 0.00 0.00 176.91 176.73 3hj1 h LEU 42 N 0.00 0.02 0.00 1.22 3.38 -1.33 -3.39 115.31 115.20 3hj1 h LEU 42 Ca -0.00 -0.02 -0.20 0.00 0.09 0.00 0.00 57.88 57.75 3hj1 h LEU 42 Cb 0.51 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 3hj1 h LEU 42 CO 0.00 0.88 -1.99 0.00 0.09 0.00 0.00 178.44 177.43 3hj1 n ALA 43 N -2.38 2.00 -2.67 1.53 0.00 -0.78 -5.00 120.51 113.21 3hj1 n ALA 43 Ca -0.01 -0.86 -0.09 0.00 0.00 0.00 0.00 53.44 52.48 3hj1 n ALA 43 Cb 0.83 -0.58 -0.07 0.00 0.00 0.00 0.00 19.45 19.63 3hj1 n ALA 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3hj1 s VAL 44 N -2.91 0.13 0.29 0.00 -7.23 -1.01 -4.75 120.40 104.91 3hj1 s VAL 44 Ca -0.07 -1.06 -0.23 0.00 -1.81 0.00 0.00 61.98 58.81 3hj1 s VAL 44 Cb 0.09 -1.20 -0.09 0.00 0.56 0.00 0.00 36.38 35.74 3hj1 s VAL 44 CO 0.85 -0.58 0.86 0.20 -0.31 0.00 0.00 175.10 176.11 3hj1 s ASN 45 N -2.61 7.22 -1.33 4.85 -0.87 -1.26 -4.12 114.94 116.82 3hj1 s ASN 45 Ca 0.02 1.67 -0.20 0.00 -1.57 0.00 0.00 52.86 52.78 3hj1 s ASN 45 Cb 0.03 -2.52 0.02 0.00 -0.02 0.00 0.00 41.25 38.77 3hj1 s ASN 45 CO -0.09 -0.04 0.46 0.29 -2.57 0.00 0.00 177.10 175.15 3hj1 n LYS 46 N 0.58 -0.82 -1.89 -0.60 5.02 -1.26 -1.13 118.16 118.06 3hj1 n LYS 46 Ca 0.01 0.14 -0.39 0.00 -2.02 0.00 0.00 58.31 56.04 3hj1 n LYS 46 Cb 0.51 -3.18 0.01 0.00 -0.02 0.00 0.00 35.03 32.35 3hj1 n LYS 46 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hj1 s ALA 47 N -3.83 3.16 -0.07 7.82 0.00 -1.26 -3.66 121.76 123.93 3hj1 s ALA 47 Ca 0.30 1.35 -0.03 0.00 0.00 0.00 0.00 51.96 53.58 3hj1 s ALA 47 Cb -0.16 -3.55 0.04 0.00 0.00 0.00 0.00 23.12 19.46 3hj1 s ALA 47 CO 0.96 -1.09 0.16 -1.58 0.00 0.00 0.00 175.76 174.21 3hj1 s HIS 48 N -1.25 -0.18 -0.15 0.00 5.04 -0.69 -4.94 115.29 113.12 3hj1 s HIS 48 Ca 0.62 0.50 0.00 0.00 -1.54 0.00 0.00 55.06 54.64 3hj1 s HIS 48 Cb -0.41 -0.06 0.02 0.00 0.04 0.00 0.00 32.58 32.18 3hj1 s HIS 48 CO 0.52 -0.17 -0.14 0.08 -2.34 0.00 0.00 174.74 172.69 3hj1 s VAL 49 N 1.08 1.62 -0.12 0.89 1.01 -1.26 -0.69 120.40 122.94 3hj1 s VAL 49 Ca -0.08 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.21 3hj1 s VAL 49 Cb -0.10 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 3hj1 s VAL 49 CO -0.06 0.45 -0.12 -1.61 0.00 0.00 0.00 175.10 173.76 3hj1 s GLU 50 N 1.46 3.25 0.43 2.72 0.41 -0.25 -4.97 118.70 121.75 3hj1 s GLU 50 Ca 0.05 -0.66 -0.19 0.00 -0.41 0.00 0.00 54.97 53.75 3hj1 s GLU 50 Cb -0.13 -2.62 -0.10 0.00 -1.78 0.00 0.00 34.13 29.50 3hj1 s GLU 50 CO -0.11 0.31 0.92 -0.51 -0.49 0.00 0.00 175.26 175.38 3hj1 s LEU 51 N 0.12 3.90 0.00 1.80 1.02 -1.26 0.38 118.68 124.64 3hj1 s LEU 51 Ca -0.05 1.60 -0.01 0.00 0.02 0.00 0.00 54.13 55.69 3hj1 s LEU 51 Cb -0.15 -4.46 0.01 0.00 0.02 0.00 0.00 46.19 41.61 3hj1 s LEU 51 CO 0.04 -0.38 0.35 2.22 0.02 0.00 0.00 176.35 178.61 3hj1 n PHE 52 N -0.77 -1.16 -2.99 0.29 -1.74 0.47 -4.83 117.46 106.73 3hj1 n PHE 52 Ca 0.06 -1.70 0.00 0.00 -0.56 0.00 0.00 57.45 55.25 3hj1 n PHE 52 Cb 0.54 0.40 0.00 0.00 1.52 0.00 0.00 39.48 41.93 3hj1 n PHE 52 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3hj1 n GLY 53 N -0.42 -1.70 0.26 4.97 0.00 -1.26 -3.03 105.19 104.01 3hj1 n GLY 53 Ca 0.01 -1.51 0.11 0.00 0.00 0.00 0.00 46.02 44.63 3hj1 n GLY 53 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hj1 h SER 54 N 0.00 0.00 0.85 1.61 4.64 -1.87 -0.62 113.55 118.16 3hj1 h SER 54 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3hj1 h SER 54 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hj1 h SER 54 CO 0.00 0.14 -0.15 0.45 -0.87 0.00 0.00 176.83 176.39 3hj1 h HIS 55 N 0.00 0.00 0.08 4.77 3.86 -1.83 0.28 115.15 122.32 3hj1 h HIS 55 Ca -0.00 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 58.91 3hj1 h HIS 55 Cb 0.35 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.80 3hj1 h HIS 55 CO 0.00 0.15 -1.59 0.28 0.86 0.00 0.00 177.93 177.63 3hj1 h VAL 56 N 0.00 0.84 -0.11 2.45 2.07 -1.39 -3.37 116.25 116.73 3hj1 h VAL 56 Ca -0.00 -2.31 -0.08 0.00 0.82 0.00 0.00 66.70 65.13 3hj1 h VAL 56 Cb 0.62 2.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.85 3hj1 h VAL 56 CO 0.02 0.66 -0.29 0.77 0.02 0.00 0.00 177.57 178.75 3hj1 h SER 57 N -0.38 0.20 0.00 0.57 4.64 -1.25 -3.41 113.55 113.92 3hj1 h SER 57 Ca -0.36 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3hj1 h SER 57 Cb 1.72 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.76 3hj1 h SER 57 CO -0.01 0.50 0.00 0.61 -0.87 0.00 0.00 176.83 177.05 3hj1 n GLY 58 N -0.50 0.87 2.39 -0.77 0.00 0.98 -3.95 105.19 104.21 3hj1 n GLY 58 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3hj1 n GLY 58 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hj1 n PHE 59 N -2.00 2.55 -4.18 1.61 3.72 -1.10 -4.90 117.46 113.16 3hj1 n PHE 59 Ca 0.00 -3.01 -0.11 0.00 -0.05 0.00 0.00 57.45 54.28 3hj1 n PHE 59 Cb 0.00 -2.32 -0.10 0.00 -0.94 0.00 0.00 39.48 36.12 3hj1 n PHE 59 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hj1 s THR 61 N -3.86 2.55 0.06 0.00 -4.23 -1.26 -4.40 115.64 104.50 3hj1 s THR 61 Ca 0.21 -1.34 0.32 0.00 -1.18 0.00 0.00 61.69 59.70 3hj1 s THR 61 Cb 0.07 -2.90 0.34 0.00 1.34 0.00 0.00 72.50 71.35 3hj1 s THR 61 CO 0.01 0.00 1.96 -0.65 -0.54 0.00 0.00 174.62 175.40 3hj1 h PRO 62 N 0.98 0.00 -0.00 3.99 0.11 -1.87 -2.52 132.00 132.68 3hj1 h PRO 62 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3hj1 h PRO 62 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3hj1 h PRO 62 CO 0.57 0.00 -0.45 0.72 -0.21 0.00 0.00 178.00 178.63 3hj1 n HIS 63 N -2.73 0.00 -1.66 0.65 8.25 -1.26 -4.98 115.22 113.49 3hj1 n HIS 63 Ca -0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.05 3hj1 n HIS 63 Cb 0.18 -0.22 0.02 0.00 1.12 0.00 0.00 29.99 31.09 3hj1 n HIS 63 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3hj1 n SER 64 N -1.33 1.78 -4.67 0.41 7.64 -0.95 -4.78 113.62 111.72 3hj1 n SER 64 Ca 0.07 1.01 -0.29 0.00 1.01 0.00 0.00 58.87 60.67 3hj1 n SER 64 Cb 0.34 -1.44 0.17 0.00 -1.01 0.00 0.00 64.21 62.27 3hj1 n SER 64 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 3hj1 s ASP 65 N -0.78 2.79 -0.11 6.43 1.47 -1.26 -4.69 116.67 120.51 3hj1 s ASP 65 Ca 0.66 1.38 0.02 0.00 1.18 0.00 0.00 52.55 55.79 3hj1 s ASP 65 Cb -0.50 -2.05 -0.01 0.00 -0.34 0.00 0.00 42.92 40.03 3hj1 s ASP 65 CO 0.54 -3.05 -0.20 0.00 0.68 0.00 0.00 175.17 173.14 3hj1 s ALA 66 N -2.89 2.34 -0.18 2.11 0.00 0.11 -4.65 121.76 118.59 3hj1 s ALA 66 Ca 0.65 -0.94 -0.08 0.00 0.00 0.00 0.00 51.96 51.58 3hj1 s ALA 66 Cb -0.19 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 21.92 3hj1 s ALA 66 CO 0.58 0.27 0.10 -0.51 0.00 0.00 0.00 175.76 176.20 3hj1 s ASP 67 N 0.35 5.96 -0.03 0.00 1.01 -1.17 -1.10 116.67 121.70 3hj1 s ASP 67 Ca -0.16 0.19 0.02 0.00 0.71 0.00 0.00 52.55 53.31 3hj1 s ASP 67 Cb -0.17 -2.02 0.01 0.00 1.01 0.00 0.00 42.92 41.74 3hj1 s ASP 67 CO 0.08 0.20 -0.09 -0.63 0.21 0.00 0.00 175.17 174.94 3hj1 s ILE 68 N 0.20 0.78 -0.20 0.77 1.01 0.92 -0.39 121.20 124.28 3hj1 s ILE 68 Ca 0.07 -0.34 -0.03 0.00 0.00 0.00 0.00 60.65 60.34 3hj1 s ILE 68 Cb -0.12 -0.70 -0.01 0.00 0.01 0.00 0.00 42.46 41.64 3hj1 s ILE 68 CO -0.01 0.25 -0.05 -0.55 0.00 0.00 0.00 174.94 174.58 3hj1 s SER 69 N 0.30 4.31 -0.23 3.58 0.15 0.16 -1.75 113.70 120.22 3hj1 s SER 69 Ca -0.05 -0.36 -0.08 0.00 0.70 0.00 0.00 55.95 56.17 3hj1 s SER 69 Cb -0.10 -1.73 -0.04 0.00 -1.71 0.00 0.00 66.02 62.45 3hj1 s SER 69 CO 0.01 0.02 0.08 -0.22 1.20 0.00 0.00 173.24 174.33 3hj1 s LEU 70 N 1.22 3.63 0.46 3.45 2.96 0.35 -1.09 118.68 129.66 3hj1 s LEU 70 Ca 0.03 -0.09 0.04 0.00 -0.22 0.00 0.00 54.13 53.89 3hj1 s LEU 70 Cb -0.14 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 3hj1 s LEU 70 CO -0.02 0.04 0.01 0.42 -1.32 0.00 0.00 176.35 175.48 3hj1 s THR 71 N 1.20 1.48 0.37 3.68 -4.23 0.13 -1.09 115.64 117.19 3hj1 s THR 71 Ca 0.05 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.49 3hj1 s THR 71 Cb -0.14 -2.54 0.02 0.00 1.34 0.00 0.00 72.50 71.18 3hj1 s THR 71 CO 0.04 0.00 0.61 -0.72 -0.54 0.00 0.00 174.62 174.00 3hj1 s TYR 72 N -2.84 0.72 0.12 3.99 1.13 -1.26 -1.70 117.35 117.52 3hj1 s TYR 72 Ca 0.20 -1.13 -0.33 0.00 -1.41 0.00 0.00 57.07 54.40 3hj1 s TYR 72 Cb 0.05 0.28 -0.13 0.00 -1.10 0.00 0.00 41.96 41.07 3hj1 s TYR 72 CO 0.10 -1.33 1.70 -2.13 -2.51 0.00 0.00 175.55 171.38 3hj1 n ARG 73 N -0.56 2.39 -1.86 -3.49 0.63 -0.28 -1.73 116.66 111.75 3hj1 n ARG 73 Ca -0.03 0.86 -0.20 0.00 -0.92 0.00 0.00 57.85 57.56 3hj1 n ARG 73 Cb 0.61 -2.68 -0.06 0.00 0.45 0.00 0.00 32.46 30.77 3hj1 n ARG 73 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3hj1 n ASN 74 N 4.45 -5.47 -4.73 6.15 5.03 -1.26 -4.98 115.26 114.45 3hj1 n ASN 74 Ca 0.18 0.34 -0.40 0.00 0.87 0.00 0.00 54.58 55.57 3hj1 n ASN 74 Cb 0.32 -4.75 0.02 0.00 -1.02 0.00 0.00 39.78 34.35 3hj1 n ASN 74 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 3hj1 n PHE 75 N -2.87 2.31 -4.03 3.10 7.35 -0.71 -5.03 117.46 117.57 3hj1 n PHE 75 Ca -0.21 0.46 -0.19 0.00 -0.76 0.00 0.00 57.45 56.75 3hj1 n PHE 75 Cb 0.67 -2.39 -0.16 0.00 0.35 0.00 0.00 39.48 37.94 3hj1 n PHE 75 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3hj1 s SER 76 N -0.62 0.79 0.63 -2.13 0.15 -1.26 -4.99 113.70 106.27 3hj1 s SER 76 Ca 0.64 -0.08 0.37 0.00 0.70 0.00 0.00 55.95 57.57 3hj1 s SER 76 Cb -0.46 -0.35 2.10 0.00 -1.71 0.00 0.00 66.02 65.59 3hj1 s SER 76 CO 0.56 -0.09 2.31 1.55 1.20 0.00 0.00 173.24 178.77 3hj1 h PRO 77 N 7.31 0.00 0.00 5.44 0.13 -1.96 -2.69 132.00 140.23 3hj1 h PRO 77 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3hj1 h PRO 77 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3hj1 h PRO 77 CO 0.45 0.00 -0.34 -1.49 -0.23 0.00 0.00 178.00 176.39 3hj1 h TRP 78 N 0.00 0.00 0.00 1.56 4.06 -1.96 -3.33 115.95 116.28 3hj1 h TRP 78 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3hj1 h TRP 78 Cb 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.17 3hj1 h TRP 78 CO 0.00 0.00 -0.72 -0.07 -3.56 0.00 0.00 178.44 174.09 3hj1 h LEU 79 N 0.00 0.00 -9.36 -4.49 3.38 -1.85 -3.45 115.31 99.54 3hj1 h LEU 79 Ca 0.00 -0.05 -0.54 0.00 0.09 0.00 0.00 57.88 57.38 3hj1 h LEU 79 Cb 0.75 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.51 3hj1 h LEU 79 CO 0.00 0.02 1.00 -1.10 0.09 0.00 0.00 178.44 178.45 3hj1 s GLN 80 N -3.29 4.21 0.00 1.13 1.11 -1.25 -0.98 119.66 120.58 3hj1 s GLN 80 Ca 0.02 2.20 0.00 0.00 0.01 0.00 0.00 55.36 57.60 3hj1 s GLN 80 Cb 0.10 -3.74 0.00 0.00 -1.01 0.00 0.00 33.01 28.36 3hj1 s GLN 80 CO 0.75 -0.74 0.00 0.41 0.01 0.00 0.00 175.29 175.72 3hj1 n GLY 81 N 3.97 0.78 3.65 3.09 0.00 -1.26 -5.08 105.19 110.35 3hj1 n GLY 81 Ca 0.16 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 3hj1 n GLY 81 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3hj1 s MET 82 N 0.00 4.13 0.17 1.61 0.00 -0.15 -4.83 119.30 120.22 3hj1 s MET 82 Ca 0.00 1.42 -0.21 0.00 0.00 0.00 0.00 55.69 56.90 3hj1 s MET 82 Cb 0.00 -3.77 0.08 0.00 0.00 0.00 0.00 34.83 31.14 3hj1 s MET 82 CO 0.00 -0.83 1.62 1.49 0.00 0.00 0.00 175.02 177.29 3hj1 h GLU 83 N 8.35 -0.18 -0.61 4.11 4.81 -1.95 0.21 114.58 129.33 3hj1 h GLU 83 Ca -0.24 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.05 3hj1 h GLU 83 Cb 1.09 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.47 3hj1 h GLU 83 CO 1.00 -0.12 0.41 0.00 -0.73 0.00 0.00 179.01 179.56 3hj1 h ARG 84 N -0.19 0.62 0.15 1.92 2.47 -1.94 0.19 114.38 117.61 3hj1 h ARG 84 Ca 0.19 -0.04 -0.29 0.00 -1.26 0.00 0.00 59.98 58.58 3hj1 h ARG 84 Cb 0.49 -0.14 0.03 0.00 -1.65 0.00 0.00 29.97 28.70 3hj1 h ARG 84 CO -0.51 0.41 -1.23 0.28 0.56 0.00 0.00 179.97 179.49 3hj1 h VAL 85 N 0.64 1.32 -0.70 2.04 2.07 -1.03 -2.02 116.25 118.57 3hj1 h VAL 85 Ca 0.26 -2.51 0.13 0.00 0.82 0.00 0.00 66.70 65.40 3hj1 h VAL 85 Cb 0.21 2.85 -0.09 0.00 -1.52 0.00 0.00 31.29 32.73 3hj1 h VAL 85 CO -0.08 0.75 0.22 0.44 0.02 0.00 0.00 177.57 178.93 3hj1 h ASP 86 N 0.14 0.14 -0.73 0.57 3.32 -0.53 0.20 116.42 119.54 3hj1 h ASP 86 Ca -0.20 0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.97 3hj1 h ASP 86 Cb 1.92 0.13 -0.04 0.00 0.22 0.00 0.00 39.33 41.57 3hj1 h ASP 86 CO 0.23 0.05 0.46 -0.33 -1.72 0.00 0.00 179.24 177.93 3hj1 h GLU 87 N 0.35 0.97 -0.61 3.56 5.08 -0.84 -1.02 114.58 122.08 3hj1 h GLU 87 Ca 0.38 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.63 3hj1 h GLU 87 Cb 0.59 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 3hj1 h GLU 87 CO -0.42 0.67 0.25 0.37 -1.00 0.00 0.00 179.01 178.88 3hj1 h GLN 88 N 0.99 0.90 -0.02 2.33 5.75 -0.58 -2.25 115.11 122.23 3hj1 h GLN 88 Ca 0.26 -0.16 -0.07 0.00 -0.15 0.00 0.00 58.65 58.54 3hj1 h GLN 88 Cb -0.07 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.32 3hj1 h GLN 88 CO -0.05 0.76 -0.30 -0.91 -2.65 0.00 0.00 178.83 175.68 3hj1 h ASN 89 N 0.84 0.04 0.10 -0.69 2.35 -0.29 -1.68 115.58 116.25 3hj1 h ASN 89 Ca 0.20 -0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.83 3hj1 h ASN 89 Cb 0.19 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 3hj1 h ASN 89 CO -0.02 0.34 -0.38 0.78 -1.65 0.00 0.00 177.43 176.50 3hj1 h ASN 90 N 0.04 0.39 -0.58 5.81 2.35 -0.97 -0.98 115.58 121.63 3hj1 h ASN 90 Ca 0.00 -0.16 -0.07 0.00 -0.55 0.00 0.00 56.30 55.52 3hj1 h ASN 90 Cb 0.55 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.79 3hj1 h ASN 90 CO 0.04 0.74 0.09 0.11 -1.65 0.00 0.00 177.43 176.76 3hj1 h LYS 91 N 0.32 0.97 -0.24 0.81 1.57 -0.73 0.03 116.57 119.30 3hj1 h LYS 91 Ca 0.03 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.54 3hj1 h LYS 91 Cb 0.82 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 3hj1 h LYS 91 CO 0.07 0.93 0.14 0.00 -0.57 0.00 0.00 179.45 180.01 3hj1 h ARG 92 N 0.87 0.33 0.00 3.15 3.08 -1.17 -2.42 114.38 118.22 3hj1 h ARG 92 Ca 0.18 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 60.08 3hj1 h ARG 92 Cb 0.43 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 3hj1 h ARG 92 CO 0.01 0.28 -0.54 0.52 -1.07 0.00 0.00 179.97 179.17 3hj1 h MET 93 N 0.29 0.00 0.09 0.04 2.86 -1.02 0.68 114.93 117.87 3hj1 h MET 93 Ca 0.09 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3hj1 h MET 93 Cb 0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.70 3hj1 h MET 93 CO -0.02 0.54 -0.04 1.15 1.06 0.00 0.00 176.91 179.61 3hj1 h THR 94 N 0.00 0.98 -0.33 2.22 2.02 -0.91 -0.97 112.91 115.92 3hj1 h THR 94 Ca -0.01 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 66.88 3hj1 h THR 94 Cb 1.03 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 3hj1 h THR 94 CO 0.07 0.06 0.06 -0.09 0.37 0.00 0.00 175.52 175.99 3hj1 h ARG 95 N -0.23 0.54 -0.79 6.66 2.43 -1.21 -2.54 114.38 119.24 3hj1 h ARG 95 Ca -0.01 -0.14 0.17 0.00 -0.81 0.00 0.00 59.98 59.19 3hj1 h ARG 95 Cb 0.19 -0.06 -0.11 0.00 -0.42 0.00 0.00 29.97 29.57 3hj1 h ARG 95 CO 0.02 0.63 0.25 0.35 -1.51 0.00 0.00 179.97 179.71 3hj1 h PHE 96 N 0.38 0.41 -0.53 2.20 3.57 -0.82 -0.23 116.94 121.91 3hj1 h PHE 96 Ca 0.10 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.65 3hj1 h PHE 96 Cb 0.34 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 3hj1 h PHE 96 CO 0.02 -0.05 0.35 0.78 -2.23 0.00 0.00 178.31 177.18 3hj1 h GLY 97 N 0.33 0.75 0.99 2.40 0.00 -0.88 0.20 103.07 106.86 3hj1 h GLY 97 Ca 0.45 -0.27 -0.10 0.00 0.00 0.00 0.00 47.33 47.41 3hj1 h GLY 97 CO -0.50 0.26 -0.16 0.50 0.00 0.00 0.00 176.54 176.64 3hj1 h LYS 98 N 0.71 0.77 -0.26 4.80 1.57 -0.96 -2.36 116.57 120.84 3hj1 h LYS 98 Ca 0.20 -0.33 -0.06 0.00 -1.87 0.00 0.00 60.65 58.59 3hj1 h LYS 98 Cb -0.07 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 3hj1 h LYS 98 CO -0.05 0.95 -0.09 0.93 -0.57 0.00 0.00 179.45 180.62 3hj1 h GLU 99 N 0.57 0.43 -0.49 3.15 4.39 -0.94 -1.55 114.58 120.14 3hj1 h GLU 99 Ca 0.09 -0.11 -0.07 0.00 0.34 0.00 0.00 59.36 59.61 3hj1 h GLU 99 Cb 0.71 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.28 3hj1 h GLU 99 CO 0.05 0.53 0.04 0.00 -1.16 0.00 0.00 179.01 178.47 3hj1 h ALA 100 N 1.51 0.65 -0.72 3.43 0.00 -0.76 -1.19 119.26 122.18 3hj1 h ALA 100 Ca 0.08 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3hj1 h ALA 100 Cb 0.41 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3hj1 h ALA 100 CO 0.02 0.41 0.44 0.77 0.00 0.00 0.00 179.25 180.89 3hj1 h SER 101 N 0.69 0.86 -0.64 0.00 0.02 -1.25 -0.89 113.55 112.35 3hj1 h SER 101 Ca 0.14 -0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 3hj1 h SER 101 Cb 0.45 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 3hj1 h SER 101 CO 0.02 0.67 0.15 0.00 -1.14 0.00 0.00 176.83 176.53 3hj1 h ALA 102 N 1.23 0.84 0.00 3.77 0.00 -1.09 -2.14 119.26 121.87 3hj1 h ALA 102 Ca 0.26 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3hj1 h ALA 102 Cb -0.04 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3hj1 h ALA 102 CO -0.05 0.55 0.00 -1.33 0.00 0.00 0.00 179.25 178.43 3hj1 n MET 103 N -4.31 0.22 0.00 0.00 2.81 -0.47 -4.89 117.12 110.48 3hj1 n MET 103 Ca 0.04 0.07 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 3hj1 n MET 103 Cb 0.25 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.26 3hj1 n MET 103 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hj1 n GLY 104 N 0.85 1.70 3.81 3.03 0.00 -0.81 -5.03 105.19 108.75 3hj1 n GLY 104 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 3hj1 n GLY 104 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hj1 s MET 105 N -0.58 4.14 0.13 1.61 -1.94 -0.38 -3.81 119.30 118.48 3hj1 s MET 105 Ca 0.00 1.19 0.05 0.00 -1.71 0.00 0.00 55.69 55.21 3hj1 s MET 105 Cb 0.00 -2.18 -0.04 0.00 2.01 0.00 0.00 34.83 34.62 3hj1 s MET 105 CO 0.00 -0.11 0.08 -1.21 -0.01 0.00 0.00 175.02 173.77 3hj1 s GLU 106 N -3.15 2.77 -1.47 2.03 0.41 -0.13 -4.48 118.70 114.69 3hj1 s GLU 106 Ca 0.63 -0.86 -0.11 0.00 -0.41 0.00 0.00 54.97 54.22 3hj1 s GLU 106 Cb -0.11 -2.61 0.06 0.00 -1.78 0.00 0.00 34.13 29.69 3hj1 s GLU 106 CO 0.15 0.51 0.99 -0.25 -0.49 0.00 0.00 175.26 176.16 3hj1 n ASP 107 N 0.01 -4.58 -4.68 -0.19 8.00 -1.26 -0.49 116.55 113.35 3hj1 n ASP 107 Ca -0.09 -0.74 -0.42 0.00 0.71 0.00 0.00 54.79 54.25 3hj1 n ASP 107 Cb 0.54 -4.13 -0.03 0.00 -0.02 0.00 0.00 41.12 37.48 3hj1 n ASP 107 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hj1 s VAL 108 N -3.35 3.72 -0.23 2.53 1.01 -1.26 -4.21 120.40 118.60 3hj1 s VAL 108 Ca 0.56 1.07 -0.00 0.00 0.00 0.00 0.00 61.98 63.60 3hj1 s VAL 108 Cb -0.27 -3.69 0.07 0.00 0.00 0.00 0.00 36.38 32.49 3hj1 s VAL 108 CO 0.81 -0.02 -0.01 -0.13 0.00 0.00 0.00 175.10 175.75 3hj1 s ARG 109 N 2.69 1.23 -0.22 2.72 1.81 -0.02 -5.00 118.95 122.15 3hj1 s ARG 109 Ca 0.64 -0.86 -0.21 0.00 -1.72 0.00 0.00 55.73 53.59 3hj1 s ARG 109 Cb -0.31 -2.41 -0.02 0.00 -0.45 0.00 0.00 34.95 31.76 3hj1 s ARG 109 CO 0.26 -0.66 0.64 -0.47 -0.68 0.00 0.00 175.30 174.39 3hj1 s TYR 110 N 1.54 3.33 -0.48 -0.53 5.04 -1.26 -1.13 117.35 123.87 3hj1 s TYR 110 Ca -0.02 0.89 -0.13 0.00 -2.44 0.00 0.00 57.07 55.36 3hj1 s TYR 110 Cb -0.18 -2.83 0.10 0.00 0.35 0.00 0.00 41.96 39.40 3hj1 s TYR 110 CO -0.09 -0.25 0.38 0.42 -1.34 0.00 0.00 175.55 174.67 3hj1 s ILE 111 N 2.22 4.83 -0.09 3.14 1.01 0.31 -5.02 121.20 127.59 3hj1 s ILE 111 Ca 0.28 -1.37 -0.30 0.00 0.00 0.00 0.00 60.65 59.26 3hj1 s ILE 111 Cb -0.16 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.28 3hj1 s ILE 111 CO 0.09 -0.67 1.47 -0.60 0.00 0.00 0.00 174.94 175.23 3hj1 s ARG 112 N 1.54 4.21 0.15 2.79 3.52 -1.26 -2.82 118.95 127.08 3hj1 s ARG 112 Ca 0.04 1.95 -0.25 0.00 -0.13 0.00 0.00 55.73 57.34 3hj1 s ARG 112 Cb -0.26 -3.84 0.06 0.00 -1.56 0.00 0.00 34.95 29.35 3hj1 s ARG 112 CO 0.03 -0.75 0.91 0.00 -0.81 0.00 0.00 175.30 174.68 3hj1 s ALA 113 N 3.60 -1.62 0.29 6.12 0.00 -1.26 -5.00 121.76 123.89 3hj1 s ALA 113 Ca 0.65 0.17 0.02 0.00 0.00 0.00 0.00 51.96 52.80 3hj1 s ALA 113 Cb -0.29 0.65 0.59 0.00 0.00 0.00 0.00 23.12 24.08 3hj1 s ALA 113 CO 0.23 -1.00 1.82 0.00 0.00 0.00 0.00 175.76 176.82 3hj1 h ARG 114 N 2.00 0.91 -4.03 0.00 2.47 -1.93 -2.89 114.38 110.90 3hj1 h ARG 114 Ca -0.23 -0.05 -0.77 0.00 -1.26 0.00 0.00 59.98 57.66 3hj1 h ARG 114 Cb 1.24 -0.21 -0.24 0.00 -1.65 0.00 0.00 29.97 29.11 3hj1 h ARG 114 CO 0.26 0.60 0.00 0.42 0.56 0.00 0.00 179.97 181.81 3hj1 s ILE 115 N -5.94 5.37 0.40 2.04 -1.09 -1.26 -4.76 121.20 115.97 3hj1 s ILE 115 Ca -0.12 -1.96 -0.23 0.00 -2.23 0.00 0.00 60.65 56.11 3hj1 s ILE 115 Cb 0.23 -4.43 -0.10 0.00 -1.58 0.00 0.00 42.46 36.58 3hj1 s ILE 115 CO 0.81 -0.99 0.98 -2.16 -1.23 0.00 0.00 174.94 172.34 3hj1 s PRO 116 N 0.98 4.27 0.06 2.79 0.04 -1.09 -4.98 135.00 137.07 3hj1 s PRO 116 Ca 0.12 1.28 0.03 0.00 0.04 0.00 0.00 61.00 62.47 3hj1 s PRO 116 Cb -0.19 -2.42 -0.03 0.00 0.04 0.00 0.00 34.50 31.91 3hj1 s PRO 116 CO -0.03 -0.01 -0.09 0.14 0.04 0.00 0.00 177.00 177.05 3hj1 s VAL 117 N -1.89 0.68 -0.13 -0.36 -7.23 -1.13 -4.34 120.40 106.00 3hj1 s VAL 117 Ca 0.58 -1.35 0.02 0.00 -1.81 0.00 0.00 61.98 59.43 3hj1 s VAL 117 Cb -0.15 -0.97 0.01 0.00 0.56 0.00 0.00 36.38 35.84 3hj1 s VAL 117 CO 0.20 -0.49 -0.19 -0.69 -0.31 0.00 0.00 175.10 173.62 3hj1 s VAL 118 N -1.95 1.84 0.15 1.32 1.01 -0.52 -0.53 120.40 121.72 3hj1 s VAL 118 Ca -0.03 -0.84 0.06 0.00 0.00 0.00 0.00 61.98 61.17 3hj1 s VAL 118 Cb -0.06 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 3hj1 s VAL 118 CO -0.00 0.51 0.08 -1.10 0.00 0.00 0.00 175.10 174.58 3hj1 s GLN 119 N 0.96 2.71 -0.11 2.72 -0.21 -0.28 -1.08 119.66 124.38 3hj1 s GLN 119 Ca -0.05 -0.93 -0.33 0.00 0.02 0.00 0.00 55.36 54.08 3hj1 s GLN 119 Cb -0.15 -2.55 0.12 0.00 1.00 0.00 0.00 33.01 31.43 3hj1 s GLN 119 CO -0.03 0.49 1.14 -0.59 -2.12 0.00 0.00 175.29 174.17 3hj1 s PHE 120 N -1.68 -0.17 -0.25 0.91 -0.71 -0.95 -0.84 117.98 114.29 3hj1 s PHE 120 Ca 0.29 0.08 -0.11 0.00 -1.04 0.00 0.00 56.93 56.14 3hj1 s PHE 120 Cb -0.10 0.53 -0.05 0.00 -1.21 0.00 0.00 43.02 42.19 3hj1 s PHE 120 CO 0.21 -0.32 0.20 0.99 -1.34 0.00 0.00 175.22 174.97 3hj1 s THR 121 N -2.62 5.32 0.20 -4.49 2.01 0.36 -0.41 115.64 116.00 3hj1 s THR 121 Ca 0.09 0.25 -0.32 0.00 0.31 0.00 0.00 61.69 62.02 3hj1 s THR 121 Cb -0.00 -3.54 -0.12 0.00 0.01 0.00 0.00 72.50 68.84 3hj1 s THR 121 CO -0.05 0.30 1.72 -0.67 -0.69 0.00 0.00 174.62 175.23 3hj1 n ASP 122 N 4.56 3.90 0.00 3.53 2.03 -0.31 -0.96 116.55 129.31 3hj1 n ASP 122 Ca -0.14 1.06 0.10 0.00 0.52 0.00 0.00 54.79 56.33 3hj1 n ASP 122 Cb 0.52 -1.56 0.54 0.00 -0.72 0.00 0.00 41.12 39.90 3hj1 n ASP 122 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hj1 n GLY 123 N 3.93 -0.86 0.21 0.27 0.00 -1.25 -1.25 105.19 106.23 3hj1 n GLY 123 Ca 0.16 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 3hj1 n GLY 123 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hj1 n VAL 124 N -1.20 1.42 0.55 1.61 0.31 -1.26 -4.81 118.33 114.94 3hj1 n VAL 124 Ca 0.11 -0.18 0.10 0.00 -0.01 0.00 0.00 64.34 64.37 3hj1 n VAL 124 Cb 0.13 -1.99 -0.14 0.00 -0.91 0.00 0.00 33.84 30.94 3hj1 n VAL 124 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3hj1 n THR 125 N -4.21 0.00 -0.91 2.52 -2.24 -1.22 -4.98 114.28 103.24 3hj1 n THR 125 Ca -0.37 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 3hj1 n THR 125 Cb 0.73 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 3hj1 n THR 125 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hj1 n GLY 126 N 1.40 0.58 3.73 3.38 0.00 -0.38 -5.00 105.19 108.90 3hj1 n GLY 126 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3hj1 n GLY 126 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hj1 s ILE 127 N -2.62 2.79 0.01 -0.61 1.01 -1.26 -4.62 121.20 115.91 3hj1 s ILE 127 Ca 0.00 0.61 -0.30 0.00 0.00 0.00 0.00 60.65 60.96 3hj1 s ILE 127 Cb 0.00 -3.39 -0.05 0.00 0.01 0.00 0.00 42.46 39.03 3hj1 s ILE 127 CO 0.00 0.07 1.23 -1.00 0.00 0.00 0.00 174.94 175.24 3hj1 s HIS 128 N 0.60 3.28 0.01 3.97 3.76 -1.26 -1.16 115.29 124.49 3hj1 s HIS 128 Ca 0.64 1.21 0.07 0.00 -0.15 0.00 0.00 55.06 56.82 3hj1 s HIS 128 Cb -0.41 -3.45 -0.03 0.00 1.11 0.00 0.00 32.58 29.79 3hj1 s HIS 128 CO 0.36 -1.45 -0.20 0.00 -0.85 0.00 0.00 174.74 172.61 3hj1 s ASP 130 N -1.15 2.73 -0.15 0.00 -1.08 -0.25 -2.24 116.67 114.52 3hj1 s ASP 130 Ca 0.13 -0.57 -0.01 0.00 -0.52 0.00 0.00 52.55 51.58 3hj1 s ASP 130 Cb -0.10 -1.00 -0.01 0.00 -1.46 0.00 0.00 42.92 40.34 3hj1 s ASP 130 CO 0.03 -0.13 -0.11 -0.69 0.52 0.00 0.00 175.17 174.78 3hj1 s VAL 131 N 1.58 3.13 0.22 1.11 1.01 -0.24 -0.06 120.40 127.16 3hj1 s VAL 131 Ca 0.02 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.40 3hj1 s VAL 131 Cb -0.14 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 3hj1 s VAL 131 CO -0.09 0.51 0.05 -0.94 0.00 0.00 0.00 175.10 174.63 3hj1 s SER 132 N 0.57 1.25 -0.15 3.32 1.04 -0.72 -1.44 113.70 117.57 3hj1 s SER 132 Ca -0.07 -1.28 -0.21 0.00 0.48 0.00 0.00 55.95 54.87 3hj1 s SER 132 Cb -0.15 0.13 -0.03 0.00 0.10 0.00 0.00 66.02 66.07 3hj1 s SER 132 CO 0.03 -0.64 0.63 -0.63 0.98 0.00 0.00 173.24 173.61 3hj1 s ILE 133 N -3.69 5.05 -1.27 -1.02 1.01 -1.26 -0.50 121.20 119.53 3hj1 s ILE 133 Ca 0.31 1.23 -0.05 0.00 0.00 0.00 0.00 60.65 62.13 3hj1 s ILE 133 Cb 0.07 -3.95 -0.01 0.00 0.01 0.00 0.00 42.46 38.58 3hj1 s ILE 133 CO 0.09 0.18 0.68 0.61 0.00 0.00 0.00 174.94 176.51 3hj1 n GLY 134 N 3.52 -0.51 2.96 6.18 0.00 -0.25 -4.85 105.19 112.24 3hj1 n GLY 134 Ca -0.02 0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 3hj1 n GLY 134 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hj1 n ASN 135 N -2.97 4.28 -0.07 1.61 2.85 -1.26 -4.74 115.26 114.96 3hj1 n ASN 135 Ca -0.24 -2.89 -0.07 0.00 -0.11 0.00 0.00 54.58 51.27 3hj1 n ASN 135 Cb 0.66 -1.66 0.10 0.00 1.24 0.00 0.00 39.78 40.12 3hj1 n ASN 135 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 3hj1 h ILE 136 N 4.34 1.27 -0.26 -1.44 1.08 -2.00 -2.22 117.51 118.28 3hj1 h ILE 136 Ca 0.52 -1.34 -0.02 0.00 -0.39 0.00 0.00 64.86 63.62 3hj1 h ILE 136 Cb 0.70 1.25 -0.01 0.00 -3.07 0.00 0.00 36.82 35.68 3hj1 h ILE 136 CO 1.75 0.45 0.09 1.23 -0.69 0.00 0.00 178.15 180.97 3hj1 h GLY 137 N 0.97 0.43 0.29 5.37 0.00 -1.95 -1.84 103.07 106.34 3hj1 h GLY 137 Ca 0.09 -0.25 0.06 0.00 0.00 0.00 0.00 47.33 47.22 3hj1 h GLY 137 CO 0.06 0.23 -0.18 -1.33 0.00 0.00 0.00 176.54 175.33 3hj1 h GLY 138 N 0.26 -0.03 0.99 4.60 0.00 -1.88 -0.02 103.07 106.98 3hj1 h GLY 138 Ca 0.09 0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.63 3hj1 h GLY 138 CO -0.00 -0.17 0.12 -2.08 0.00 0.00 0.00 176.54 174.40 3hj1 h VAL 139 N -0.17 1.06 -0.31 4.60 2.07 -1.34 -2.45 116.25 119.71 3hj1 h VAL 139 Ca 0.13 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 3hj1 h VAL 139 Cb 0.37 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3hj1 h VAL 139 CO -0.33 0.06 0.04 -0.33 0.02 0.00 0.00 177.57 177.02 3hj1 h GLU 140 N 0.24 0.51 0.00 1.57 4.39 -1.09 -2.54 114.58 117.66 3hj1 h GLU 140 Ca 0.07 -0.14 -0.10 0.00 0.34 0.00 0.00 59.36 59.52 3hj1 h GLU 140 Cb -0.00 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 3hj1 h GLU 140 CO -0.01 0.62 -0.49 -2.95 -1.16 0.00 0.00 179.01 175.02 3hj1 h ASN 141 N 0.33 0.00 -0.05 1.42 7.08 -1.00 -2.30 115.58 121.06 3hj1 h ASN 141 Ca 0.09 0.00 -0.09 0.00 -3.08 0.00 0.00 56.30 53.22 3hj1 h ASN 141 Cb 0.36 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.59 3hj1 h ASN 141 CO 0.01 0.49 -0.23 0.28 -2.08 0.00 0.00 177.43 175.89 3hj1 h SER 142 N 0.00 0.46 0.19 6.14 0.02 -1.40 -1.03 113.55 117.92 3hj1 h SER 142 Ca -0.00 -0.15 -0.13 0.00 -0.84 0.00 0.00 61.79 60.67 3hj1 h SER 142 Cb 0.95 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.36 3hj1 h SER 142 CO 0.06 0.70 -0.48 0.11 -1.14 0.00 0.00 176.83 176.08 3hj1 h LYS 143 N 0.41 0.34 -0.26 3.45 1.57 -1.02 -0.62 116.57 120.45 3hj1 h LYS 143 Ca 0.06 -0.19 -0.11 0.00 -1.87 0.00 0.00 60.65 58.54 3hj1 h LYS 143 Cb 0.63 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 3hj1 h LYS 143 CO 0.05 0.75 -0.28 0.82 -0.57 0.00 0.00 179.45 180.22 3hj1 h ILE 144 N 0.27 1.31 -0.63 1.86 2.04 -1.18 -1.82 117.51 119.36 3hj1 h ILE 144 Ca 0.01 -1.46 -0.01 0.00 1.00 0.00 0.00 64.86 64.41 3hj1 h ILE 144 Cb 0.95 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 38.66 3hj1 h ILE 144 CO 0.08 0.46 0.37 -0.07 0.00 0.00 0.00 178.15 178.99 3hj1 h LEU 145 N 0.36 0.78 -0.48 1.44 3.38 -1.07 -0.75 115.31 118.97 3hj1 h LEU 145 Ca 0.04 -0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.02 3hj1 h LEU 145 Cb 0.85 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.33 3hj1 h LEU 145 CO 0.07 0.63 0.08 0.00 0.09 0.00 0.00 178.44 179.31 3hj1 h ALA 147 N 1.38 1.43 0.18 0.00 0.00 -0.56 -1.29 119.26 120.40 3hj1 h ALA 147 Ca 0.24 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3hj1 h ALA 147 Cb 0.33 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3hj1 h ALA 147 CO -0.33 0.41 -0.09 0.82 0.00 0.00 0.00 179.25 180.07 3hj1 h ILE 148 N 0.10 0.93 -0.79 0.00 2.04 -0.54 -2.98 117.51 116.27 3hj1 h ILE 148 Ca 0.01 -0.61 0.12 0.00 1.00 0.00 0.00 64.86 65.39 3hj1 h ILE 148 Cb 0.54 1.30 -0.06 0.00 -0.74 0.00 0.00 36.82 37.86 3hj1 h ILE 148 CO 0.04 0.14 0.52 -0.09 0.00 0.00 0.00 178.15 178.76 3hj1 h ARG 149 N -0.54 0.59 0.00 2.37 2.43 -0.96 -2.07 114.38 116.20 3hj1 h ARG 149 Ca -0.02 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 3hj1 h ARG 149 Cb 0.41 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3hj1 h ARG 149 CO 0.04 0.39 -0.06 1.96 -1.51 0.00 0.00 179.97 180.79 3hj1 h GLN 150 N 0.61 0.00 -0.79 0.20 7.50 -1.08 -2.28 115.11 119.27 3hj1 h GLN 150 Ca 0.38 0.00 0.18 0.00 0.50 0.00 0.00 58.65 59.71 3hj1 h GLN 150 Cb 0.63 0.00 -0.12 0.00 0.05 0.00 0.00 27.48 28.04 3hj1 h GLN 150 CO -0.15 0.06 0.20 0.28 -1.50 0.00 0.00 178.83 177.72 3hj1 h VAL 151 N 0.00 0.45 -0.86 -0.54 2.07 -1.38 -3.38 116.25 112.61 3hj1 h VAL 151 Ca -0.00 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 3hj1 h VAL 151 Cb 0.11 0.17 -0.18 0.00 -1.52 0.00 0.00 31.29 29.87 3hj1 h VAL 151 CO 0.01 0.05 -0.40 0.12 0.02 0.00 0.00 177.57 177.37 3hj1 s PHE 152 N -6.01 -1.48 0.17 1.57 5.99 -1.11 -5.07 117.98 112.04 3hj1 s PHE 152 Ca -0.12 0.08 -0.16 0.00 0.00 0.00 0.00 56.93 56.73 3hj1 s PHE 152 Cb 0.23 0.28 0.12 0.00 0.00 0.00 0.00 43.02 43.64 3hj1 s PHE 152 CO 0.76 -1.04 1.69 -1.35 -0.00 0.00 0.00 175.22 175.29 3hj1 h PRO 153 N 6.36 0.08 -0.05 10.12 0.11 -1.61 -2.03 132.00 144.98 3hj1 h PRO 153 Ca 0.04 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.07 3hj1 h PRO 153 Cb 1.18 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3hj1 h PRO 153 CO 0.05 0.06 -0.29 -0.44 -0.21 0.00 0.00 178.00 177.16 3hj1 h ASP 154 N 0.09 0.09 0.45 -2.05 3.32 -1.96 0.53 116.42 116.89 3hj1 h ASP 154 Ca 0.20 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 3hj1 h ASP 154 Cb 0.29 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3hj1 h ASP 154 CO -0.35 0.39 -0.22 0.15 -1.72 0.00 0.00 179.24 177.49 3hj1 h PHE 155 N 0.08 -0.57 -0.91 4.55 3.57 -1.77 -1.91 116.94 120.00 3hj1 h PHE 155 Ca 0.01 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3hj1 h PHE 155 Cb 0.57 0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.45 3hj1 h PHE 155 CO 0.00 -0.35 0.57 1.88 -2.23 0.00 0.00 178.31 178.19 3hj1 h TYR 156 N -0.96 1.17 0.08 0.41 0.05 -1.48 -2.62 116.97 113.62 3hj1 h TYR 156 Ca -0.06 0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.74 3hj1 h TYR 156 Cb 0.47 -0.39 -0.02 0.00 1.01 0.00 0.00 36.73 37.80 3hj1 h TYR 156 CO 0.03 0.76 -0.13 0.78 -1.05 0.00 0.00 178.16 178.54 3hj1 h GLY 157 N 1.25 -0.23 0.89 3.88 0.00 -0.02 -0.52 103.07 108.32 3hj1 h GLY 157 Ca 0.33 0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.76 3hj1 h GLY 157 CO -0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 176.54 176.32 3hj1 h ALA 158 N 0.62 0.41 0.19 3.60 0.00 -1.27 0.24 119.26 123.05 3hj1 h ALA 158 Ca 0.02 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.69 3hj1 h ALA 158 Cb 0.28 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3hj1 h ALA 158 CO -0.07 0.18 -0.24 -0.92 0.00 0.00 0.00 179.25 178.20 3hj1 h TYR 159 N 0.33 -0.64 -0.47 0.00 3.20 -1.41 -0.31 116.97 117.68 3hj1 h TYR 159 Ca 0.08 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 3hj1 h TYR 159 Cb 0.47 0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.97 3hj1 h TYR 159 CO 0.04 -0.35 0.14 0.82 -1.64 0.00 0.00 178.16 177.17 3hj1 h ILE 160 N -0.48 1.23 -0.38 1.81 1.08 -1.07 -1.62 117.51 118.07 3hj1 h ILE 160 Ca 0.01 -0.77 0.06 0.00 -0.39 0.00 0.00 64.86 63.77 3hj1 h ILE 160 Cb 0.47 0.85 -0.05 0.00 -3.07 0.00 0.00 36.82 35.01 3hj1 h ILE 160 CO -0.09 0.28 0.05 -0.74 -0.69 0.00 0.00 178.15 176.96 3hj1 h HIS 161 N 0.62 0.08 -0.47 1.37 -0.00 -0.74 -0.28 115.15 115.73 3hj1 h HIS 161 Ca 0.15 0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.47 3hj1 h HIS 161 Cb 0.28 0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.70 3hj1 h HIS 161 CO 0.02 -0.01 0.01 -0.07 -0.00 0.00 0.00 177.93 177.87 3hj1 h LEU 162 N 0.17 0.80 -0.41 0.26 3.38 -0.87 0.34 115.31 118.98 3hj1 h LEU 162 Ca 0.19 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.89 3hj1 h LEU 162 Cb 0.23 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3hj1 h LEU 162 CO -0.26 0.91 0.18 0.58 0.09 0.00 0.00 178.44 179.94 3hj1 h VAL 163 N 0.67 0.93 -0.32 1.22 2.07 -0.93 -0.24 116.25 119.66 3hj1 h VAL 163 Ca 0.13 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 3hj1 h VAL 163 Cb 0.50 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3hj1 h VAL 163 CO 0.02 0.07 0.04 0.11 0.02 0.00 0.00 177.57 177.83 3hj1 h LYS 164 N 0.37 0.54 -0.54 1.57 1.57 -0.74 0.21 116.57 119.56 3hj1 h LYS 164 Ca 0.18 -0.15 0.06 0.00 -1.87 0.00 0.00 60.65 58.87 3hj1 h LYS 164 Cb 0.12 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.32 3hj1 h LYS 164 CO -0.15 0.64 0.25 0.00 -0.57 0.00 0.00 179.45 179.62 3hj1 h ALA 165 N 0.87 0.68 -0.07 3.86 0.00 -0.12 0.21 119.26 124.70 3hj1 h ALA 165 Ca 0.09 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3hj1 h ALA 165 Cb 0.38 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3hj1 h ALA 165 CO 0.01 -0.12 0.02 2.35 0.00 0.00 0.00 179.25 181.51 3hj1 h TRP 166 N 0.47 0.10 -0.67 0.00 7.01 -0.92 -2.29 115.95 119.65 3hj1 h TRP 166 Ca 0.25 -0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.33 3hj1 h TRP 166 Cb 0.21 -0.03 -0.07 0.00 -2.10 0.00 0.00 29.16 27.16 3hj1 h TRP 166 CO -0.12 0.26 0.30 0.78 -2.79 0.00 0.00 178.44 176.87 3hj1 h GLY 167 N -0.08 0.99 0.86 2.65 0.00 0.04 -1.10 103.07 106.43 3hj1 h GLY 167 Ca 0.02 -0.18 -0.09 0.00 0.00 0.00 0.00 47.33 47.09 3hj1 h GLY 167 CO -0.00 0.02 -0.20 0.50 0.00 0.00 0.00 176.54 176.86 3hj1 h LYS 168 N 0.51 0.54 -0.90 4.80 1.57 -0.56 -0.92 116.57 121.61 3hj1 h LYS 168 Ca 0.34 -0.27 0.03 0.00 -1.87 0.00 0.00 60.65 58.87 3hj1 h LYS 168 Cb 0.39 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.66 3hj1 h LYS 168 CO -0.29 0.85 0.59 0.00 -0.57 0.00 0.00 179.45 180.02 3hj1 h ALA 169 N 0.68 1.18 -0.31 3.86 0.00 -1.14 -2.79 119.26 120.74 3hj1 h ALA 169 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hj1 h ALA 169 Cb 0.74 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3hj1 h ALA 169 CO 0.05 0.46 0.00 0.54 0.00 0.00 0.00 179.25 180.30 3hj1 n ARG 170 N -4.51 2.15 -2.08 0.00 5.12 -0.44 -0.16 116.66 116.75 3hj1 n ARG 170 Ca 0.11 -1.74 -0.20 0.00 -1.93 0.00 0.00 57.85 54.09 3hj1 n ARG 170 Cb 0.07 -1.45 -0.04 0.00 -1.16 0.00 0.00 32.46 29.88 3hj1 n ARG 170 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3hj1 n GLU 171 N 0.96 -1.62 0.08 5.56 1.02 -0.61 -4.84 120.64 121.18 3hj1 n GLU 171 Ca 0.18 1.05 -0.14 0.00 -0.02 0.00 0.00 57.16 58.23 3hj1 n GLU 171 Cb 0.47 -5.60 -0.07 0.00 -0.02 0.00 0.00 31.44 26.22 3hj1 n GLU 171 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3hj1 h VAL 172 N 0.00 1.43 -3.41 2.62 2.07 -1.53 -3.38 116.25 114.05 3hj1 h VAL 172 Ca -0.45 -2.63 -0.74 0.00 0.82 0.00 0.00 66.70 63.70 3hj1 h VAL 172 Cb 1.33 2.57 -0.28 0.00 -1.52 0.00 0.00 31.29 33.39 3hj1 h VAL 172 CO 0.58 0.78 -0.24 -0.63 0.02 0.00 0.00 177.57 178.08 3hj1 s ILE 173 N -3.09 4.68 -0.51 4.57 1.01 -0.47 -1.40 121.20 125.99 3hj1 s ILE 173 Ca -0.05 -2.05 0.07 0.00 0.00 0.00 0.00 60.65 58.62 3hj1 s ILE 173 Cb 0.08 -4.01 0.19 0.00 0.01 0.00 0.00 42.46 38.74 3hj1 s ILE 173 CO 0.87 -0.87 0.71 0.00 0.00 0.00 0.00 174.94 175.65 3hj1 n ALA 174 N 4.57 -1.48 0.06 9.38 0.00 -0.48 -4.34 120.51 128.21 3hj1 n ALA 174 Ca -0.02 -1.22 0.08 0.00 0.00 0.00 0.00 53.44 52.29 3hj1 n ALA 174 Cb 0.42 -1.43 0.53 0.00 0.00 0.00 0.00 19.45 18.97 3hj1 n ALA 174 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3hj1 h PRO 175 N 4.96 0.29 0.00 0.00 0.11 -1.70 0.02 132.00 135.67 3hj1 h PRO 175 Ca 0.06 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3hj1 h PRO 175 Cb 1.09 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3hj1 h PRO 175 CO 0.07 0.19 0.00 1.49 -0.21 0.00 0.00 178.00 179.54 3hj1 h GLU 176 N 0.30 0.00 -0.49 1.05 4.81 -1.91 -2.59 114.58 115.74 3hj1 h GLU 176 Ca 0.14 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3hj1 h GLU 176 Cb 0.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.57 3hj1 h GLU 176 CO -0.03 0.00 0.00 0.54 -0.73 0.00 0.00 179.01 178.79 3hj1 n ARG 177 N -2.31 3.72 -2.61 1.92 5.12 -0.06 -4.95 116.66 117.49 3hj1 n ARG 177 Ca 0.03 -2.86 -0.20 0.00 -1.93 0.00 0.00 57.85 52.89 3hj1 n ARG 177 Cb 0.30 -1.91 0.01 0.00 -1.16 0.00 0.00 32.46 29.70 3hj1 n ARG 177 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 3hj1 n SER 178 N 0.46 -5.66 0.00 0.55 7.64 -0.98 -5.00 113.62 110.64 3hj1 n SER 178 Ca 0.23 -0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.99 3hj1 n SER 178 Cb 0.92 -4.61 0.00 0.00 -1.01 0.00 0.00 64.21 59.51 3hj1 n SER 178 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3hj1 n THR 179 N -4.19 0.00 -1.38 0.44 -2.24 -0.85 -3.28 114.28 102.78 3hj1 n THR 179 Ca -0.18 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.29 3hj1 n THR 179 Cb 0.65 -0.60 0.08 0.00 -2.10 0.00 0.00 70.33 68.36 3hj1 n THR 179 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3hj1 s PHE 180 N 1.78 2.76 0.41 4.78 0.08 -0.49 -4.15 117.98 123.14 3hj1 s PHE 180 Ca 0.00 1.46 0.07 0.00 0.12 0.00 0.00 56.93 58.58 3hj1 s PHE 180 Cb 0.00 -3.00 0.01 0.00 -0.57 0.00 0.00 43.02 39.45 3hj1 s PHE 180 CO 0.00 -1.65 0.56 0.54 -0.10 0.00 0.00 175.22 174.57 3hj1 s ASN 181 N -3.57 5.71 0.28 1.36 2.20 -1.26 -1.39 114.94 118.27 3hj1 s ASN 181 Ca 0.60 -0.32 -0.03 0.00 -0.94 0.00 0.00 52.86 52.17 3hj1 s ASN 181 Cb -0.16 -0.83 0.38 0.00 -2.00 0.00 0.00 41.25 38.64 3hj1 s ASN 181 CO 0.56 -0.71 1.92 0.28 -2.94 0.00 0.00 177.10 176.21 3hj1 h SER 182 N 0.65 0.96 -0.79 3.54 0.02 -1.96 -2.75 113.55 113.22 3hj1 h SER 182 Ca -0.42 -0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 60.43 3hj1 h SER 182 Cb 1.27 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 63.54 3hj1 h SER 182 CO 0.48 0.75 0.35 0.15 -1.14 0.00 0.00 176.83 177.42 3hj1 h PHE 183 N 1.10 1.17 -0.35 3.45 3.57 -1.99 -0.78 116.94 123.11 3hj1 h PHE 183 Ca 0.28 -0.07 -0.06 0.00 3.53 0.00 0.00 57.97 61.65 3hj1 h PHE 183 Cb -0.02 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.35 3hj1 h PHE 183 CO 0.01 0.87 -0.03 1.15 -2.23 0.00 0.00 178.31 178.07 3hj1 h THR 184 N 1.13 1.27 -0.11 4.41 2.02 -1.84 -1.17 112.91 118.62 3hj1 h THR 184 Ca 0.27 -1.04 -0.18 0.00 0.77 0.00 0.00 66.41 66.23 3hj1 h THR 184 Cb 0.16 1.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.82 3hj1 h THR 184 CO -0.03 0.34 -0.67 0.58 0.37 0.00 0.00 175.52 176.11 3hj1 h VAL 185 N 0.43 1.36 -0.01 3.16 2.07 -1.38 -1.63 116.25 120.25 3hj1 h VAL 185 Ca 0.09 -2.02 0.02 0.00 0.82 0.00 0.00 66.70 65.62 3hj1 h VAL 185 Cb 0.50 2.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.25 3hj1 h VAL 185 CO 0.02 0.61 -0.10 0.74 0.02 0.00 0.00 177.57 178.87 3hj1 h THR 186 N 0.32 0.75 -0.32 2.57 2.02 -0.99 0.12 112.91 117.38 3hj1 h THR 186 Ca -0.02 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.22 3hj1 h THR 186 Cb 1.23 0.75 -0.05 0.00 -1.74 0.00 0.00 68.15 68.34 3hj1 h THR 186 CO 0.12 0.00 -0.02 0.74 0.37 0.00 0.00 175.52 176.73 3hj1 h THR 187 N -0.16 0.74 -0.55 3.16 2.02 -1.07 -0.71 112.91 116.34 3hj1 h THR 187 Ca 0.04 -0.02 0.08 0.00 0.77 0.00 0.00 66.41 67.28 3hj1 h THR 187 Cb 0.21 0.66 -0.07 0.00 -1.74 0.00 0.00 68.15 67.22 3hj1 h THR 187 CO -0.11 0.01 0.18 0.24 0.37 0.00 0.00 175.52 176.22 3hj1 h MET 188 N 0.07 0.34 -0.58 6.66 2.86 -0.85 -0.57 114.93 122.86 3hj1 h MET 188 Ca 0.16 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.70 3hj1 h MET 188 Cb 0.22 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 3hj1 h MET 188 CO -0.28 0.23 0.04 0.00 1.06 0.00 0.00 176.91 177.96 3hj1 h ALA 189 N 1.38 0.98 -0.26 6.32 0.00 -0.15 -2.59 119.26 124.94 3hj1 h ALA 189 Ca 0.27 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3hj1 h ALA 189 Cb 0.32 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3hj1 h ALA 189 CO -0.29 0.63 -0.20 -0.07 0.00 0.00 0.00 179.25 179.32 3hj1 h LEU 190 N 0.91 0.46 -1.00 0.00 3.38 -0.48 -2.80 115.31 115.77 3hj1 h LEU 190 Ca 0.17 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 3hj1 h LEU 190 Cb 0.47 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3hj1 h LEU 190 CO 0.02 0.67 -0.01 -0.03 0.09 0.00 0.00 178.44 179.17 3hj1 h MET 191 N 0.42 0.70 -0.90 1.13 4.05 -0.72 -1.60 114.93 118.00 3hj1 h MET 191 Ca 0.07 -0.18 0.01 0.00 -0.28 0.00 0.00 59.70 59.32 3hj1 h MET 191 Cb 0.59 -0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 31.26 3hj1 h MET 191 CO 0.04 0.73 0.59 0.28 0.23 0.00 0.00 176.91 178.78 3hj1 h VAL 192 N 0.66 1.22 -0.21 -5.77 2.07 -1.38 -0.23 116.25 112.61 3hj1 h VAL 192 Ca 0.13 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 3hj1 h VAL 192 Cb 0.43 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 3hj1 h VAL 192 CO 0.02 0.22 0.10 -0.07 0.02 0.00 0.00 177.57 177.86 3hj1 h LEU 193 N 1.21 0.28 -0.56 2.57 3.38 -1.27 -1.14 115.31 119.78 3hj1 h LEU 193 Ca 0.33 -0.14 0.11 0.00 0.09 0.00 0.00 57.88 58.28 3hj1 h LEU 193 Cb -0.13 -0.07 -0.11 0.00 0.09 0.00 0.00 40.66 40.44 3hj1 h LEU 193 CO -0.08 0.34 -0.20 1.56 0.09 0.00 0.00 178.44 180.15 3hj1 h GLN 194 N 0.20 -0.06 0.00 1.13 4.20 -0.92 0.41 115.11 120.08 3hj1 h GLN 194 Ca 0.07 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 3hj1 h GLN 194 Cb 0.14 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 3hj1 h GLN 194 CO -0.01 -0.04 -0.03 0.93 -0.67 0.00 0.00 178.83 179.01 3hj1 h GLU 195 N -0.07 0.00 -0.00 1.46 4.39 -0.53 -1.89 114.58 117.94 3hj1 h GLU 195 Ca 0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.96 3hj1 h GLU 195 Cb 0.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 3hj1 h GLU 195 CO -0.61 0.03 -0.21 1.28 -1.16 0.00 0.00 179.01 178.34 3hj1 n LEU 196 N -4.15 0.66 0.00 1.33 4.77 -0.27 -4.92 117.00 114.42 3hj1 n LEU 196 Ca -0.03 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 3hj1 n LEU 196 Cb 0.12 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 3hj1 n LEU 196 CO 0.31 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 3hj1 n GLY 197 N 1.35 0.51 1.20 -0.72 0.00 -0.71 -4.95 105.19 101.87 3hj1 n GLY 197 Ca 0.12 -0.62 0.08 0.00 0.00 0.00 0.00 46.02 45.60 3hj1 n GLY 197 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hj1 n LEU 198 N 0.00 4.09 -3.60 0.99 4.77 -0.03 -4.86 117.00 118.36 3hj1 n LEU 198 Ca 0.00 -2.41 -0.13 0.00 -0.03 0.00 0.00 56.01 53.45 3hj1 n LEU 198 Cb 0.00 -0.48 -0.07 0.00 -2.33 0.00 0.00 43.42 40.55 3hj1 n LEU 198 CO 0.00 0.78 0.59 -0.22 -1.33 0.00 0.00 177.39 177.21 3hj1 s LEU 199 N -1.75 -0.57 0.56 2.23 2.96 -1.23 -4.80 118.68 116.07 3hj1 s LEU 199 Ca 0.42 0.95 -0.16 0.00 -0.22 0.00 0.00 54.13 55.12 3hj1 s LEU 199 Cb 0.27 2.19 -0.06 0.00 0.50 0.00 0.00 46.19 49.09 3hj1 s LEU 199 CO 0.20 -0.30 1.02 -2.16 -1.32 0.00 0.00 176.35 173.79 3hj1 s PRO 200 N -0.21 3.66 -0.04 0.98 0.04 -1.26 -4.21 135.00 133.96 3hj1 s PRO 200 Ca -0.01 1.03 -0.26 0.00 0.04 0.00 0.00 61.00 61.80 3hj1 s PRO 200 Cb -0.03 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 3hj1 s PRO 200 CO 0.00 -0.51 0.81 0.08 0.04 0.00 0.00 177.00 177.42 3hj1 s VAL 201 N -2.61 4.97 -1.45 -0.36 1.01 -1.26 -4.90 120.40 115.81 3hj1 s VAL 201 Ca 0.60 1.69 -0.09 0.00 0.00 0.00 0.00 61.98 64.19 3hj1 s VAL 201 Cb -0.12 -4.15 0.04 0.00 0.00 0.00 0.00 36.38 32.14 3hj1 s VAL 201 CO 0.35 0.21 2.50 0.49 0.00 0.00 0.00 175.10 178.65 3hj1 n PHE 202 N 3.86 2.71 1.71 5.22 3.72 -0.43 -4.72 117.46 129.53 3hj1 n PHE 202 Ca 0.02 -2.94 0.14 0.00 -0.05 0.00 0.00 57.45 54.62 3hj1 n PHE 202 Cb 0.51 -2.19 0.83 0.00 -0.94 0.00 0.00 39.48 37.69 3hj1 n PHE 202 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3hj1 n SER 203 N 3.30 0.00 -3.08 4.37 3.41 -1.24 -4.07 113.62 116.31 3hj1 n SER 203 Ca 0.64 -0.74 -0.25 0.00 -0.26 0.00 0.00 58.87 58.26 3hj1 n SER 203 Cb 0.28 -0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 64.12 3hj1 n SER 203 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3hj1 n LYS 204 N -1.06 2.54 -1.92 4.33 3.00 -1.26 -5.05 118.16 118.73 3hj1 n LYS 204 Ca 0.20 -4.45 -0.42 0.00 -0.00 0.00 0.00 58.31 53.65 3hj1 n LYS 204 Cb 0.13 -2.08 -0.02 0.00 0.00 0.00 0.00 35.03 33.05 3hj1 n LYS 204 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 3hj1 s PRO 205 N -2.98 4.21 -0.04 1.64 0.04 -1.26 -4.91 135.00 131.71 3hj1 s PRO 205 Ca 0.45 2.40 0.08 0.00 0.04 0.00 0.00 61.00 63.96 3hj1 s PRO 205 Cb 0.27 -3.10 0.18 0.00 0.04 0.00 0.00 34.50 31.89 3hj1 s PRO 205 CO -0.11 -0.54 1.14 0.25 0.04 0.00 0.00 177.00 177.78 3hj1 n THR 206 N 2.85 1.26 -1.68 1.26 -2.24 -1.22 -4.80 114.28 109.72 3hj1 n THR 206 Ca 0.10 -1.28 -0.36 0.00 -2.27 0.00 0.00 64.05 60.23 3hj1 n THR 206 Cb 0.39 0.31 0.07 0.00 -2.10 0.00 0.00 70.33 69.01 3hj1 n THR 206 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3hj1 s GLY 207 N -1.38 2.77 0.56 3.38 0.00 -0.22 -4.87 107.32 107.56 3hj1 s GLY 207 Ca 0.16 1.16 0.33 0.00 0.00 0.00 0.00 44.72 46.36 3hj1 s GLY 207 CO 0.06 1.58 1.82 -2.09 0.00 0.00 0.00 173.10 174.47 3hj1 h GLU 208 N 0.37 0.00 -0.15 2.90 4.81 -1.97 0.16 114.58 120.70 3hj1 h GLU 208 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3hj1 h GLU 208 Cb 1.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.71 3hj1 h GLU 208 CO 0.52 0.00 0.00 1.19 -0.73 0.00 0.00 179.01 179.99 3hj1 n PHE 209 N -4.03 0.43 -0.75 0.92 3.72 -1.26 -4.94 117.46 111.55 3hj1 n PHE 209 Ca 0.19 -0.81 0.00 0.00 -0.05 0.00 0.00 57.45 56.78 3hj1 n PHE 209 Cb 1.04 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 39.39 3hj1 n PHE 209 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hj1 n GLY 210 N -0.67 0.71 3.93 1.37 0.00 0.55 -4.74 105.19 106.33 3hj1 n GLY 210 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 3hj1 n GLY 210 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hj1 s GLU 211 N -0.25 3.07 0.08 1.61 1.03 -1.26 -4.65 118.70 118.34 3hj1 s GLU 211 Ca 0.00 -0.16 -0.30 0.00 0.03 0.00 0.00 54.97 54.54 3hj1 s GLU 211 Cb 0.00 -2.40 -0.05 0.00 -0.80 0.00 0.00 34.13 30.88 3hj1 s GLU 211 CO 0.00 -0.46 0.99 -1.17 -1.33 0.00 0.00 175.26 173.29 3hj1 s LEU 212 N -4.79 4.45 0.38 1.83 2.96 -0.32 -1.05 118.68 122.14 3hj1 s LEU 212 Ca 0.51 1.79 0.07 0.00 -0.22 0.00 0.00 54.13 56.28 3hj1 s LEU 212 Cb -0.10 -3.58 -0.00 0.00 0.50 0.00 0.00 46.19 43.00 3hj1 s LEU 212 CO 0.42 -0.16 0.49 0.42 -1.32 0.00 0.00 176.35 176.20 3hj1 s THR 213 N 0.35 3.42 0.17 3.68 -4.23 -1.26 -4.47 115.64 113.29 3hj1 s THR 213 Ca 0.49 -1.07 -0.11 0.00 -1.18 0.00 0.00 61.69 59.83 3hj1 s THR 213 Cb -0.23 -3.17 0.07 0.00 1.34 0.00 0.00 72.50 70.51 3hj1 s THR 213 CO 0.30 -0.07 1.70 0.58 -0.54 0.00 0.00 174.62 176.58 3hj1 h VAL 214 N 0.83 1.25 -0.68 2.29 2.07 -1.97 -2.38 116.25 117.66 3hj1 h VAL 214 Ca -0.43 -0.86 -0.06 0.00 0.82 0.00 0.00 66.70 66.17 3hj1 h VAL 214 Cb 1.27 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 3hj1 h VAL 214 CO 0.50 0.33 0.19 0.00 0.02 0.00 0.00 177.57 178.61 3hj1 h ALA 215 N 1.05 0.89 -0.37 1.67 0.00 -1.98 0.31 119.26 120.83 3hj1 h ALA 215 Ca 0.19 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.95 3hj1 h ALA 215 Cb 0.31 -0.26 -0.09 0.00 0.00 0.00 0.00 17.79 17.75 3hj1 h ALA 215 CO -0.00 0.59 -0.31 -0.44 0.00 0.00 0.00 179.25 179.08 3hj1 h ASP 216 N 1.00 -1.02 -0.04 0.00 3.32 -1.89 -1.52 116.42 116.27 3hj1 h ASP 216 Ca 0.22 0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.44 3hj1 h ASP 216 Cb 0.33 0.48 -0.00 0.00 0.22 0.00 0.00 39.33 40.36 3hj1 h ASP 216 CO -0.00 -0.31 0.00 0.00 -1.72 0.00 0.00 179.24 177.21 3hj1 h ALA 217 N 0.77 0.06 -0.79 3.45 0.00 -1.07 -2.86 119.26 118.81 3hj1 h ALA 217 Ca 0.17 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3hj1 h ALA 217 Cb 0.53 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 3hj1 h ALA 217 CO -0.51 -0.30 0.53 0.93 0.00 0.00 0.00 179.25 179.90 3hj1 h GLU 218 N -0.19 1.04 -0.36 0.00 5.08 -0.82 -1.07 114.58 118.26 3hj1 h GLU 218 Ca 0.01 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.21 3hj1 h GLU 218 Cb 0.29 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3hj1 h GLU 218 CO 0.00 0.69 -0.16 0.52 -1.00 0.00 0.00 179.01 179.06 3hj1 h MET 219 N 1.07 0.74 -0.40 2.33 2.86 -1.30 0.17 114.93 120.39 3hj1 h MET 219 Ca 0.29 -0.32 -0.16 0.00 -2.06 0.00 0.00 59.70 57.46 3hj1 h MET 219 Cb -0.11 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 3hj1 h MET 219 CO -0.07 0.92 -0.36 1.25 1.06 0.00 0.00 176.91 179.72 3hj1 h LEU 220 N 0.53 1.00 -0.34 1.22 5.85 -1.23 -3.21 115.31 119.12 3hj1 h LEU 220 Ca 0.08 -0.44 -0.12 0.00 0.84 0.00 0.00 57.88 58.24 3hj1 h LEU 220 Cb 0.69 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 3hj1 h LEU 220 CO 0.05 1.24 -0.25 -0.07 -0.34 0.00 0.00 178.44 179.07 3hj1 h LEU 221 N 0.77 0.81 -0.87 2.25 3.38 -1.15 -2.31 115.31 118.19 3hj1 h LEU 221 Ca 0.07 -0.44 0.23 0.00 0.09 0.00 0.00 57.88 57.83 3hj1 h LEU 221 Cb 0.95 -0.23 -0.14 0.00 0.09 0.00 0.00 40.66 41.33 3hj1 h LEU 221 CO 0.09 1.08 0.20 -0.61 0.09 0.00 0.00 178.44 179.29 3hj1 h GLN 222 N 0.55 0.18 0.00 1.13 4.15 -0.99 -0.85 115.11 119.28 3hj1 h GLN 222 Ca 0.07 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.47 3hj1 h GLN 222 Cb 0.81 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.46 3hj1 h GLN 222 CO 0.07 0.12 -0.30 1.49 -1.93 0.00 0.00 178.83 178.27 3hj1 h GLU 223 N 0.18 0.00 -6.78 1.69 4.57 -1.51 -3.48 114.58 109.26 3hj1 h GLU 223 Ca 0.54 0.00 -0.52 0.00 -1.18 0.00 0.00 59.36 58.20 3hj1 h GLU 223 Cb 1.09 0.00 0.04 0.00 -0.16 0.00 0.00 28.75 29.72 3hj1 h GLU 223 CO -0.67 0.00 0.60 0.12 -1.18 0.00 0.00 179.01 177.87 3hj1 s PHE 224 N -3.19 3.27 -0.09 0.92 5.36 -0.33 -5.04 117.98 118.89 3hj1 s PHE 224 Ca 0.07 1.42 0.04 0.00 -0.96 0.00 0.00 56.93 57.50 3hj1 s PHE 224 Cb 0.10 -3.54 -0.01 0.00 -0.34 0.00 0.00 43.02 39.23 3hj1 s PHE 224 CO 0.68 -1.50 -0.23 0.15 -1.46 0.00 0.00 175.22 172.86 3hj1 s LYS 225 N -1.05 2.94 0.72 10.12 -0.14 -1.26 -5.01 119.74 126.04 3hj1 s LYS 225 Ca 0.51 -0.86 -0.11 0.00 -1.36 0.00 0.00 55.97 54.15 3hj1 s LYS 225 Cb -0.36 -2.30 0.02 0.00 -1.68 0.00 0.00 37.83 33.50 3hj1 s LYS 225 CO 0.44 0.25 1.07 -0.51 -0.76 0.00 0.00 175.35 175.84 3hj1 s LEU 226 N 0.17 3.06 0.43 3.17 1.43 -1.26 -5.00 118.68 120.68 3hj1 s LEU 226 Ca -0.13 1.60 -0.24 0.00 -1.03 0.00 0.00 54.13 54.34 3hj1 s LEU 226 Cb -0.16 -4.43 -0.10 0.00 0.03 0.00 0.00 46.19 41.52 3hj1 s LEU 226 CO 0.07 -1.57 0.99 -2.65 0.23 0.00 0.00 176.35 173.42 3hj1 n PRO 227 N -3.21 1.30 -0.23 1.29 -0.02 -1.26 -4.86 135.00 128.01 3hj1 n PRO 227 Ca 0.08 0.47 0.25 0.00 -2.02 0.00 0.00 63.50 62.28 3hj1 n PRO 227 Cb 0.54 -2.03 0.63 0.00 -0.02 0.00 0.00 33.50 32.62 3hj1 n PRO 227 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3hj1 h PRO 228 N 1.46 0.18 -0.51 0.52 0.11 -2.04 -0.97 132.00 130.76 3hj1 h PRO 228 Ca -0.44 -0.01 0.15 0.00 0.11 0.00 0.00 66.00 65.80 3hj1 h PRO 228 Cb 1.34 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.39 3hj1 h PRO 228 CO 0.56 0.12 0.37 0.97 -0.21 0.00 0.00 178.00 179.81 3hj1 h ILE 229 N 0.19 0.73 0.00 4.15 6.09 -2.02 -1.78 117.51 124.85 3hj1 h ILE 229 Ca 0.48 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.96 3hj1 h ILE 229 Cb 1.57 0.74 -0.00 0.00 0.47 0.00 0.00 36.82 39.60 3hj1 h ILE 229 CO -0.10 0.00 -0.05 1.88 -3.07 0.00 0.00 178.15 176.81 3hj1 h TYR 230 N 0.00 0.00 0.00 2.19 0.05 -1.51 -1.17 116.97 116.53 3hj1 h TYR 230 Ca 0.24 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.02 3hj1 h TYR 230 Cb 0.98 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.72 3hj1 h TYR 230 CO 0.00 0.05 0.00 -0.44 -1.05 0.00 0.00 178.16 176.72 3hj1 h ASP 231 N 0.00 0.00 -0.61 3.88 5.19 -1.51 -2.76 116.42 120.61 3hj1 h ASP 231 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3hj1 h ASP 231 Cb 0.34 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.85 3hj1 h ASP 231 CO 0.01 0.00 0.00 -1.54 -3.12 0.00 0.00 179.24 174.59 3hj1 n SER 232 N -2.80 4.18 -0.59 6.45 3.41 -0.44 -4.45 113.62 119.38 3hj1 n SER 232 Ca -0.01 -2.26 0.05 0.00 -0.26 0.00 0.00 58.87 56.39 3hj1 n SER 232 Cb 0.17 -0.50 0.14 0.00 -0.26 0.00 0.00 64.21 63.76 3hj1 n SER 232 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hj1 n LEU 233 N 1.12 2.85 0.10 1.04 4.32 -1.04 -4.63 117.00 120.77 3hj1 n LEU 233 Ca 0.23 -1.99 0.12 0.00 -0.02 0.00 0.00 56.01 54.35 3hj1 n LEU 233 Cb 0.73 -0.21 0.23 0.00 -1.62 0.00 0.00 43.42 42.55 3hj1 n LEU 233 CO 0.19 0.71 0.56 0.45 -1.22 0.00 0.00 177.39 178.07 3hj1 h HIS 234 N 1.89 0.00 0.00 -1.77 3.86 -1.78 -3.36 115.15 113.98 3hj1 h HIS 234 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3hj1 h HIS 234 Cb 0.71 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.18 3hj1 h HIS 234 CO 0.21 0.00 0.00 -0.25 0.86 0.00 0.00 177.93 178.75 3hj1 n ASP 235 N -2.36 1.25 -3.44 2.45 10.43 -1.26 -4.97 116.55 118.65 3hj1 n ASP 235 Ca 0.04 -1.61 -0.17 0.00 2.57 0.00 0.00 54.79 55.61 3hj1 n ASP 235 Cb 0.46 0.00 -0.11 0.00 1.84 0.00 0.00 41.12 43.31 3hj1 n ASP 235 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3hj1 s ASP 236 N -0.61 1.49 0.54 -2.24 -1.08 -1.26 -5.02 116.67 108.49 3hj1 s ASP 236 Ca 0.00 -0.46 0.33 0.00 -0.52 0.00 0.00 52.55 51.90 3hj1 s ASP 236 Cb 0.00 0.48 1.41 0.00 -1.46 0.00 0.00 42.92 43.36 3hj1 s ASP 236 CO 0.00 -0.36 2.01 0.44 0.52 0.00 0.00 175.17 177.78 3hj1 h ASP 237 N 8.28 0.00 -0.34 -0.34 3.32 -1.93 -0.84 116.42 124.57 3hj1 h ASP 237 Ca -0.16 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.84 3hj1 h ASP 237 Cb 1.11 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 3hj1 h ASP 237 CO 0.31 0.05 0.02 -0.33 -1.72 0.00 0.00 179.24 177.57 3hj1 h GLU 238 N 0.00 0.58 -0.09 3.56 5.08 -1.95 0.12 114.58 121.89 3hj1 h GLU 238 Ca -0.00 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 3hj1 h GLU 238 Cb 0.48 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 3hj1 h GLU 238 CO 0.01 0.69 -0.06 0.87 -1.00 0.00 0.00 179.01 179.52 3hj1 h LYS 239 N 0.40 0.19 -0.59 2.33 1.57 -1.79 -2.84 116.57 115.83 3hj1 h LYS 239 Ca 0.10 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3hj1 h LYS 239 Cb 0.42 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 3hj1 h LYS 239 CO 0.01 0.58 0.20 1.25 -0.57 0.00 0.00 179.45 180.93 3hj1 h LEU 240 N -0.20 0.85 -1.90 2.94 5.85 -1.19 -2.10 115.31 119.56 3hj1 h LEU 240 Ca 0.02 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.58 3hj1 h LEU 240 Cb 0.53 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 3hj1 h LEU 240 CO 0.02 0.82 0.17 1.23 -0.34 0.00 0.00 178.44 180.33 3hj1 h GLY 241 N 0.83 0.15 1.03 3.75 0.00 -0.81 -0.93 103.07 107.09 3hj1 h GLY 241 Ca 0.19 -0.05 -0.06 0.00 0.00 0.00 0.00 47.33 47.41 3hj1 h GLY 241 CO -0.01 0.04 0.17 0.83 0.00 0.00 0.00 176.54 177.57 3hj1 h GLU 242 N 0.13 1.00 -0.27 4.80 5.08 -1.12 0.34 114.58 124.54 3hj1 h GLU 242 Ca 0.11 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.16 3hj1 h GLU 242 Cb 0.26 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3hj1 h GLU 242 CO -0.01 0.90 -0.11 0.00 -1.00 0.00 0.00 179.01 178.78 3hj1 h ALA 243 N 1.06 0.37 -0.45 3.43 0.00 -1.18 -2.07 119.26 120.42 3hj1 h ALA 243 Ca 0.20 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3hj1 h ALA 243 Cb 0.33 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3hj1 h ALA 243 CO -0.00 0.23 0.06 0.28 0.00 0.00 0.00 179.25 179.82 3hj1 h VAL 244 N 0.29 1.22 -0.55 0.00 2.07 -1.19 -1.77 116.25 116.31 3hj1 h VAL 244 Ca 0.06 -0.84 -0.05 0.00 0.82 0.00 0.00 66.70 66.69 3hj1 h VAL 244 Cb 0.61 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 3hj1 h VAL 244 CO 0.04 0.30 0.14 0.15 0.02 0.00 0.00 177.57 178.21 3hj1 h PHE 245 N 0.68 0.92 -0.31 1.57 3.57 -0.85 -0.83 116.94 121.68 3hj1 h PHE 245 Ca 0.14 -0.11 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 3hj1 h PHE 245 Cb 0.34 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 3hj1 h PHE 245 CO 0.02 0.79 0.08 0.35 -2.23 0.00 0.00 178.31 177.32 3hj1 h PHE 246 N 0.78 0.52 -0.94 0.41 3.57 -1.02 -1.40 116.94 118.85 3hj1 h PHE 246 Ca 0.17 -0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.65 3hj1 h PHE 246 Cb 0.33 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 38.87 3hj1 h PHE 246 CO 0.02 0.54 0.61 0.00 -2.23 0.00 0.00 178.31 177.26 3hj1 h LEU 248 N 1.20 0.93 -0.35 0.00 3.38 -0.94 0.70 115.31 120.23 3hj1 h LEU 248 Ca 0.37 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 58.22 3hj1 h LEU 248 Cb -0.01 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.44 3hj1 h LEU 248 CO -0.12 0.85 0.05 1.56 0.09 0.00 0.00 178.44 180.87 3hj1 h GLN 249 N 0.95 0.15 -0.57 1.13 4.20 -0.68 -1.27 115.11 119.03 3hj1 h GLN 249 Ca 0.22 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.87 3hj1 h GLN 249 Cb 0.22 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 3hj1 h GLN 249 CO -0.02 0.10 0.13 0.00 -0.67 0.00 0.00 178.83 178.37 3hj1 h ARG 250 N 0.16 0.91 -0.04 1.46 2.47 -0.96 -1.76 114.38 116.62 3hj1 h ARG 250 Ca 0.17 -0.23 0.02 0.00 -1.26 0.00 0.00 59.98 58.68 3hj1 h ARG 250 Cb 0.20 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.39 3hj1 h ARG 250 CO -0.24 0.86 -0.06 0.35 0.56 0.00 0.00 179.97 181.43 3hj1 h PHE 251 N 0.81 -0.16 -0.58 3.04 3.57 -0.65 0.28 116.94 123.26 3hj1 h PHE 251 Ca 0.18 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 3hj1 h PHE 251 Cb 0.36 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 3hj1 h PHE 251 CO 0.03 -0.10 0.16 0.00 -2.23 0.00 0.00 178.31 176.17 3hj1 h ALA 252 N 0.93 0.76 -0.16 2.41 0.00 -1.00 -2.11 119.26 120.10 3hj1 h ALA 252 Ca 0.04 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 3hj1 h ALA 252 Cb 0.15 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3hj1 h ALA 252 CO -0.10 0.45 -0.22 1.49 0.00 0.00 0.00 179.25 180.88 3hj1 h GLU 253 N 0.83 0.43 -0.33 0.00 4.81 -1.26 -0.75 114.58 118.31 3hj1 h GLU 253 Ca 0.19 -0.25 0.07 0.00 -0.13 0.00 0.00 59.36 59.24 3hj1 h GLU 253 Cb 0.31 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.63 3hj1 h GLU 253 CO -0.00 0.83 -0.21 -0.92 -0.73 0.00 0.00 179.01 177.98 3hj1 h TYR 254 N 0.07 -0.53 0.00 0.92 3.20 -0.27 -2.53 116.97 117.82 3hj1 h TYR 254 Ca 0.02 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3hj1 h TYR 254 Cb 0.78 0.28 0.00 0.00 1.54 0.00 0.00 36.73 39.33 3hj1 h TYR 254 CO 0.09 -0.28 -0.42 0.66 -1.64 0.00 0.00 178.16 176.56 3hj1 n TYR 255 N -5.37 0.67 0.20 -3.82 4.01 -0.81 -0.43 117.16 111.62 3hj1 n TYR 255 Ca 0.01 0.20 0.08 0.00 -0.16 0.00 0.00 57.90 58.02 3hj1 n TYR 255 Cb 0.28 -0.74 0.38 0.00 -0.31 0.00 0.00 39.34 38.94 3hj1 n TYR 255 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hj1 h ALA 256 N 2.52 0.99 0.00 -0.72 0.00 -0.95 -3.33 119.26 117.77 3hj1 h ALA 256 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3hj1 h ALA 256 Cb 0.74 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3hj1 h ALA 256 CO 0.00 0.38 -0.93 1.63 0.00 0.00 0.00 179.25 180.33 3hj1 n LYS 257 N -3.45 2.16 -1.73 0.00 5.02 -0.97 -4.90 118.16 114.29 3hj1 n LYS 257 Ca 0.00 -0.04 -0.42 0.00 -2.02 0.00 0.00 58.31 55.83 3hj1 n LYS 257 Cb 0.48 -1.09 -0.03 0.00 -0.02 0.00 0.00 35.03 34.38 3hj1 n LYS 257 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3hj1 s TYR 258 N -2.28 2.89 -0.66 2.13 5.04 0.42 -4.92 117.35 119.98 3hj1 s TYR 258 Ca 0.00 0.38 -0.25 0.00 -2.44 0.00 0.00 57.07 54.76 3hj1 s TYR 258 Cb 0.07 -4.14 0.05 0.00 0.35 0.00 0.00 41.96 38.29 3hj1 s TYR 258 CO 0.40 -4.26 1.09 0.34 -1.34 0.00 0.00 175.55 171.78 3hj1 s ASP 259 N 1.11 6.23 0.36 4.32 2.15 -1.26 -4.82 116.67 124.75 3hj1 s ASP 259 Ca 0.74 -0.56 0.23 0.00 0.43 0.00 0.00 52.55 53.38 3hj1 s ASP 259 Cb -0.50 -2.48 0.24 0.00 -0.30 0.00 0.00 42.92 39.88 3hj1 s ASP 259 CO 0.34 -1.54 1.43 -0.26 -0.17 0.00 0.00 175.17 174.97 3hj1 h PHE 260 N 9.67 0.00 0.00 -5.34 0.04 -1.91 -1.14 116.94 118.26 3hj1 h PHE 260 Ca -0.28 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.47 3hj1 h PHE 260 Cb 1.06 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.21 3hj1 h PHE 260 CO 1.02 0.00 -0.12 0.66 -0.60 0.00 0.00 178.31 179.27 3hj1 h SER 261 N 0.00 0.00 0.00 2.17 4.64 -1.89 -3.27 113.55 115.20 3hj1 h SER 261 Ca 0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 3hj1 h SER 261 Cb 0.99 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.06 3hj1 h SER 261 CO 0.00 0.12 -1.61 0.00 -0.87 0.00 0.00 176.83 174.47 3hj1 n ALA 262 N -2.37 1.83 -2.78 5.18 0.00 -1.22 -4.89 120.51 116.26 3hj1 n ALA 262 Ca -0.02 -0.45 -0.25 0.00 0.00 0.00 0.00 53.44 52.72 3hj1 n ALA 262 Cb 0.21 0.27 -0.02 0.00 0.00 0.00 0.00 19.45 19.90 3hj1 n ALA 262 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hj1 s GLY 263 N -5.05 1.54 0.41 0.00 0.00 -0.43 -0.40 107.32 103.39 3hj1 s GLY 263 Ca -0.14 -0.94 0.07 0.00 0.00 0.00 0.00 44.72 43.71 3hj1 s GLY 263 CO 0.24 -0.90 0.09 -0.51 0.00 0.00 0.00 173.10 172.02 3hj1 s THR 264 N -2.03 2.17 -0.24 0.90 -4.23 -0.42 -4.48 115.64 107.32 3hj1 s THR 264 Ca 0.38 -1.85 -0.09 0.00 -1.18 0.00 0.00 61.69 58.95 3hj1 s THR 264 Cb -0.10 -2.99 -0.04 0.00 1.34 0.00 0.00 72.50 70.71 3hj1 s THR 264 CO 0.31 -0.01 0.11 -0.69 -0.54 0.00 0.00 174.62 173.80 3hj1 s VAL 265 N -2.65 4.81 -0.03 2.29 1.01 -0.50 -2.93 120.40 122.41 3hj1 s VAL 265 Ca 0.38 -0.01 -0.15 0.00 0.00 0.00 0.00 61.98 62.21 3hj1 s VAL 265 Cb 0.07 -3.24 0.03 0.00 0.00 0.00 0.00 36.38 33.23 3hj1 s VAL 265 CO 0.20 0.34 0.32 -0.55 0.00 0.00 0.00 175.10 175.42 3hj1 s SER 266 N 1.31 -0.22 0.01 3.32 0.15 -1.26 -0.79 113.70 116.22 3hj1 s SER 266 Ca 0.06 0.20 0.23 0.00 0.70 0.00 0.00 55.95 57.14 3hj1 s SER 266 Cb -0.15 0.38 0.18 0.00 -1.71 0.00 0.00 66.02 64.73 3hj1 s SER 266 CO 0.05 -0.39 1.17 0.18 1.20 0.00 0.00 173.24 175.45 3hj1 n LEU 267 N 1.55 0.67 -0.03 3.45 4.77 -1.26 -2.89 117.00 123.26 3hj1 n LEU 267 Ca -0.20 -0.14 -0.19 0.00 -0.03 0.00 0.00 56.01 55.44 3hj1 n LEU 267 Cb 0.56 -0.14 -0.13 0.00 -2.33 0.00 0.00 43.42 41.38 3hj1 n LEU 267 CO 0.21 0.14 -0.15 0.40 -1.33 0.00 0.00 177.39 176.66 3hj1 h ILE 268 N 0.00 1.29 -2.09 -0.08 2.04 -1.94 -1.14 117.51 115.59 3hj1 h ILE 268 Ca 0.00 -2.37 -0.49 0.00 1.00 0.00 0.00 64.86 63.00 3hj1 h ILE 268 Cb 0.56 2.88 -0.33 0.00 -0.74 0.00 0.00 36.82 39.19 3hj1 h ILE 268 CO 0.00 0.60 -0.86 -2.28 0.00 0.00 0.00 178.15 175.62 3hj1 s HIS 269 N -2.38 0.45 0.15 1.37 5.04 -1.26 -3.62 115.29 115.04 3hj1 s HIS 269 Ca -0.20 -1.84 -0.34 0.00 -1.54 0.00 0.00 55.06 51.14 3hj1 s HIS 269 Cb 0.02 -0.64 -0.16 0.00 0.04 0.00 0.00 32.58 31.84 3hj1 s HIS 269 CO 0.72 -0.92 1.25 -2.30 -2.34 0.00 0.00 174.74 171.15 3hj1 n PRO 270 N 3.06 1.27 -1.03 2.88 -0.02 -1.14 -1.60 135.00 138.41 3hj1 n PRO 270 Ca 0.25 0.45 -0.01 0.00 -2.02 0.00 0.00 63.50 62.17 3hj1 n PRO 270 Cb 0.48 -2.02 -0.00 0.00 -0.02 0.00 0.00 33.50 31.94 3hj1 n PRO 270 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hj1 n ARG 271 N 2.07 -0.67 -1.78 -0.52 1.74 -1.15 -4.95 116.66 111.40 3hj1 n ARG 271 Ca 0.16 0.27 -0.42 0.00 -0.77 0.00 0.00 57.85 57.09 3hj1 n ARG 271 Cb 0.24 -3.84 -0.02 0.00 -1.02 0.00 0.00 32.46 27.82 3hj1 n ARG 271 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3hj1 s ARG 272 N -1.01 4.13 0.43 5.56 3.52 -0.63 -4.37 118.95 126.59 3hj1 s ARG 272 Ca 0.00 2.57 -0.25 0.00 -0.13 0.00 0.00 55.73 57.92 3hj1 s ARG 272 Cb 0.00 -3.04 -0.09 0.00 -1.56 0.00 0.00 34.95 30.25 3hj1 s ARG 272 CO 0.00 -0.66 1.21 1.58 -0.81 0.00 0.00 175.30 176.62 3hj1 n HIS 273 N 2.77 1.90 -0.29 5.12 -0.00 -1.26 -1.30 115.22 122.15 3hj1 n HIS 273 Ca 0.11 0.51 0.11 0.00 -0.00 0.00 0.00 57.72 58.44 3hj1 n HIS 273 Cb 0.37 -2.34 0.25 0.00 -0.00 0.00 0.00 29.99 28.28 3hj1 n HIS 273 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3hj1 h ARG 274 N 1.88 0.14 0.00 1.57 3.08 -1.00 -0.91 114.38 119.14 3hj1 h ARG 274 Ca -0.47 -0.01 -0.11 0.00 0.07 0.00 0.00 59.98 59.45 3hj1 h ARG 274 Cb 1.31 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.31 3hj1 h ARG 274 CO 0.59 0.09 -0.55 1.79 -1.07 0.00 0.00 179.97 180.82 3hj1 h THR 275 N 0.14 1.26 -0.04 2.04 1.35 -1.89 0.29 112.91 116.06 3hj1 h THR 275 Ca 0.52 -1.96 -0.23 0.00 -0.55 0.00 0.00 66.41 64.19 3hj1 h THR 275 Cb 1.03 2.09 0.01 0.00 -1.73 0.00 0.00 68.15 69.55 3hj1 h THR 275 CO -0.70 0.54 -0.92 0.58 -0.25 0.00 0.00 175.52 174.76 3hj1 h VAL 276 N 0.00 1.34 -0.48 6.82 2.07 -1.75 -2.49 116.25 121.75 3hj1 h VAL 276 Ca -0.01 -2.26 0.02 0.00 0.82 0.00 0.00 66.70 65.27 3hj1 h VAL 276 Cb 1.05 2.29 -0.03 0.00 -1.52 0.00 0.00 31.29 33.08 3hj1 h VAL 276 CO 0.07 0.69 0.29 0.22 0.02 0.00 0.00 177.57 178.86 3hj1 h TYR 277 N 0.34 0.55 -0.63 1.57 3.20 -0.90 -0.66 116.97 120.44 3hj1 h TYR 277 Ca -0.09 0.02 0.13 0.00 3.14 0.00 0.00 58.73 61.93 3hj1 h TYR 277 Cb 1.56 -0.18 -0.11 0.00 1.54 0.00 0.00 36.73 39.54 3hj1 h TYR 277 CO 0.08 0.32 -0.01 1.49 -1.64 0.00 0.00 178.16 178.40 3hj1 h GLU 278 N 0.59 0.10 -0.44 1.82 4.81 -0.89 0.83 114.58 121.40 3hj1 h GLU 278 Ca 0.19 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 3hj1 h GLU 278 Cb -0.00 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 3hj1 h GLU 278 CO -0.08 0.07 0.16 -0.09 -0.73 0.00 0.00 179.01 178.34 3hj1 h ARG 279 N 0.10 0.67 -0.65 1.92 1.12 -0.95 -0.68 114.38 115.91 3hj1 h ARG 279 Ca 0.33 -0.13 -0.00 0.00 -1.11 0.00 0.00 59.98 59.06 3hj1 h ARG 279 Cb 0.53 -0.10 -0.03 0.00 -0.01 0.00 0.00 29.97 30.36 3hj1 h ARG 279 CO -0.55 0.64 0.41 0.28 -3.11 0.00 0.00 179.97 177.63 3hj1 h VAL 280 N 0.57 1.18 -0.36 0.20 2.07 -0.61 -1.73 116.25 117.58 3hj1 h VAL 280 Ca 0.14 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 3hj1 h VAL 280 Cb 0.23 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 3hj1 h VAL 280 CO -0.01 0.19 0.16 0.58 0.02 0.00 0.00 177.57 178.51 3hj1 h VAL 281 N 0.89 1.17 -0.48 2.57 2.07 -0.56 0.07 116.25 121.97 3hj1 h VAL 281 Ca 0.24 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 3hj1 h VAL 281 Cb -0.05 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3hj1 h VAL 281 CO -0.05 0.18 0.29 0.03 0.02 0.00 0.00 177.57 178.04 3hj1 h ARG 282 N 0.44 0.66 -0.44 1.57 3.08 -0.73 0.20 114.38 119.15 3hj1 h ARG 282 Ca 0.12 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.13 3hj1 h ARG 282 Cb 0.13 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 3hj1 h ARG 282 CO -0.01 0.49 0.26 -0.09 -1.07 0.00 0.00 179.97 179.55 3hj1 h ARG 283 N 0.65 0.52 -0.56 0.04 9.65 -1.14 -2.13 114.38 121.40 3hj1 h ARG 283 Ca 0.17 -0.03 0.04 0.00 -1.10 0.00 0.00 59.98 59.06 3hj1 h ARG 283 Cb 0.01 -0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 28.43 3hj1 h ARG 283 CO -0.03 0.34 0.32 1.25 2.80 0.00 0.00 179.97 184.65 3hj1 h HIS 284 N 0.53 0.59 -0.16 2.20 2.76 0.02 -2.49 115.15 118.61 3hj1 h HIS 284 Ca 0.18 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.30 3hj1 h HIS 284 Cb 0.00 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 28.77 3hj1 h HIS 284 CO -0.07 0.32 -0.21 -0.07 -1.30 0.00 0.00 177.93 176.61 3hj1 h LEU 285 N 0.62 0.26 -0.09 0.26 3.38 -0.44 0.06 115.31 119.37 3hj1 h LEU 285 Ca 0.24 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3hj1 h LEU 285 Cb 0.08 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3hj1 h LEU 285 CO -0.13 0.48 0.02 -0.33 0.09 0.00 0.00 178.44 178.58 3hj1 h GLU 286 N 0.25 0.14 -0.80 1.13 5.08 -0.96 0.13 114.58 119.55 3hj1 h GLU 286 Ca 0.04 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3hj1 h GLU 286 Cb 0.51 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 3hj1 h GLU 286 CO 0.03 0.31 0.41 -0.07 -1.00 0.00 0.00 179.01 178.70 3hj1 h LEU 287 N -0.06 1.01 -0.21 1.33 3.38 -1.18 -1.84 115.31 117.75 3hj1 h LEU 287 Ca 0.03 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 3hj1 h LEU 287 Cb 0.23 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3hj1 h LEU 287 CO -0.00 0.83 -0.11 0.25 0.09 0.00 0.00 178.44 179.50 3hj1 h LEU 288 N 1.12 0.46 -1.08 1.67 5.85 -0.89 -2.70 115.31 119.74 3hj1 h LEU 288 Ca 0.28 -0.42 0.06 0.00 0.84 0.00 0.00 57.88 58.64 3hj1 h LEU 288 Cb 0.06 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 40.90 3hj1 h LEU 288 CO -0.04 0.78 0.62 1.23 -0.34 0.00 0.00 178.44 180.68 3hj1 h GLY 289 N 0.14 1.41 0.70 3.75 0.00 -0.60 0.15 103.07 108.62 3hj1 h GLY 289 Ca 0.05 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 3hj1 h GLY 289 CO 0.03 0.33 -0.06 1.76 0.00 0.00 0.00 176.54 178.60 3hj1 h SER 290 N 1.11 -0.14 -0.52 0.19 0.02 -1.26 -1.47 113.55 111.48 3hj1 h SER 290 Ca 0.41 -0.25 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 3hj1 h SER 290 Cb 0.17 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 3hj1 h SER 290 CO -0.15 0.18 0.12 -0.09 -1.14 0.00 0.00 176.83 175.74 3hj1 h ARG 291 N -0.47 0.84 0.24 3.45 9.65 -1.37 -1.83 114.38 124.89 3hj1 h ARG 291 Ca -0.02 -0.21 0.01 0.00 -1.10 0.00 0.00 59.98 58.66 3hj1 h ARG 291 Cb 0.38 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 28.81 3hj1 h ARG 291 CO 0.03 0.81 -0.45 -0.22 2.80 0.00 0.00 179.97 182.94 3hj1 h LYS 292 N 0.73 -0.74 -0.66 0.20 3.64 -0.70 -1.28 116.57 117.77 3hj1 h LYS 292 Ca 0.16 0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.69 3hj1 h LYS 292 Cb 0.35 0.17 -0.07 0.00 -0.41 0.00 0.00 32.23 32.26 3hj1 h LYS 292 CO 0.00 -0.49 0.28 -0.09 -2.27 0.00 0.00 179.45 176.89 3hj1 h ARG 293 N -0.77 0.47 -0.42 1.90 2.43 -1.14 0.39 114.38 117.24 3hj1 h ARG 293 Ca -0.01 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.20 3hj1 h ARG 293 Cb 0.74 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 30.13 3hj1 h ARG 293 CO -0.18 0.31 0.09 1.25 -1.51 0.00 0.00 179.97 179.93 3hj1 h LEU 294 N 0.49 0.01 -0.52 3.80 6.46 -1.10 -1.40 115.31 123.05 3hj1 h LEU 294 Ca 0.33 0.07 -0.11 0.00 -0.12 0.00 0.00 57.88 58.05 3hj1 h LEU 294 Cb 0.39 0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.40 3hj1 h LEU 294 CO -0.30 0.04 -0.13 -0.33 -0.62 0.00 0.00 178.44 177.11 3hj1 h GLU 295 N 0.22 1.00 -0.79 1.25 4.39 -0.04 -1.51 114.58 119.09 3hj1 h GLU 295 Ca 0.21 -0.38 0.09 0.00 0.34 0.00 0.00 59.36 59.62 3hj1 h GLU 295 Cb 0.25 -0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 28.77 3hj1 h GLU 295 CO -0.27 1.06 0.44 -1.49 -1.16 0.00 0.00 179.01 177.59 3hj1 h TRP 296 N 0.86 0.80 -0.73 4.33 4.06 -0.66 -0.06 115.95 124.55 3hj1 h TRP 296 Ca 0.13 0.03 -0.04 0.00 2.06 0.00 0.00 58.89 61.06 3hj1 h TRP 296 Cb 0.69 -0.24 -0.03 0.00 -1.00 0.00 0.00 29.16 28.58 3hj1 h TRP 296 CO 0.05 0.33 0.28 0.93 -3.56 0.00 0.00 178.44 176.47 3hj1 h GLU 297 N 0.75 1.10 -0.54 0.49 4.39 -0.98 -1.54 114.58 118.24 3hj1 h GLU 297 Ca 0.38 -0.21 -0.06 0.00 0.34 0.00 0.00 59.36 59.81 3hj1 h GLU 297 Cb 0.35 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 3hj1 h GLU 297 CO -0.24 0.91 0.09 0.87 -1.16 0.00 0.00 179.01 179.47 3hj1 h LYS 298 N 1.05 0.86 -0.22 2.33 1.57 -0.59 -0.19 116.57 121.38 3hj1 h LYS 298 Ca 0.24 -0.20 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 3hj1 h LYS 298 Cb 0.23 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3hj1 h LYS 298 CO -0.02 0.81 -0.05 1.25 -0.57 0.00 0.00 179.45 180.87 3hj1 h HIS 299 N 0.82 0.48 -0.91 -1.35 2.76 -0.77 -2.78 115.15 113.39 3hj1 h HIS 299 Ca 0.17 -0.10 -0.02 0.00 -2.20 0.00 0.00 60.37 58.22 3hj1 h HIS 299 Cb 0.37 -0.12 -0.04 0.00 1.55 0.00 0.00 27.41 29.17 3hj1 h HIS 299 CO 0.02 0.66 0.51 0.82 -1.30 0.00 0.00 177.93 178.64 3hj1 h ILE 300 N 0.16 1.26 -1.00 6.26 2.04 -1.00 0.13 117.51 125.36 3hj1 h ILE 300 Ca 0.06 -0.63 0.08 0.00 1.00 0.00 0.00 64.86 65.36 3hj1 h ILE 300 Cb 0.50 0.01 -0.07 0.00 -0.74 0.00 0.00 36.82 36.53 3hj1 h ILE 300 CO 0.02 0.29 0.64 0.00 0.00 0.00 0.00 178.15 179.10 3hj1 h ALA 301 N 1.28 1.44 0.00 1.87 0.00 -0.94 -1.79 119.26 121.12 3hj1 h ALA 301 Ca 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3hj1 h ALA 301 Cb 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3hj1 h ALA 301 CO -0.05 0.39 -0.41 0.93 0.00 0.00 0.00 179.25 180.11 3hj1 h GLU 302 N 1.12 0.00 -2.13 0.00 5.08 -1.07 -3.39 114.58 114.20 3hj1 h GLU 302 Ca 0.44 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 58.23 3hj1 h GLU 302 Cb 0.24 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 29.10 3hj1 h GLU 302 CO -0.19 0.00 -1.05 0.72 -1.00 0.00 0.00 179.01 177.49 3hj1 n HIS 303 N -2.49 -0.46 0.17 4.33 8.25 0.37 -5.00 115.22 120.39 3hj1 n HIS 303 Ca 0.03 -3.49 0.14 0.00 -0.26 0.00 0.00 57.72 54.14 3hj1 n HIS 303 Cb 0.48 -0.15 0.70 0.00 1.12 0.00 0.00 29.99 32.14 3hj1 n HIS 303 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 3hj1 h LYS 304 N 4.54 0.00 0.00 -0.41 1.57 -1.57 0.55 116.57 121.25 3hj1 h LYS 304 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3hj1 h LYS 304 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.19 3hj1 h LYS 304 CO 0.44 0.00 0.00 -0.85 -0.57 0.00 0.00 179.45 178.47 3hj1 n GLU 305 N -4.33 0.16 0.00 3.15 0.00 -1.26 -0.80 120.64 117.56 3hj1 n GLU 305 Ca 0.02 0.39 0.14 0.00 0.00 0.00 0.00 57.16 57.70 3hj1 n GLU 305 Cb 0.29 -1.80 0.51 0.00 0.00 0.00 0.00 31.44 30.44 3hj1 n GLU 305 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3hj1 n ASP 306 N -2.11 0.77 -4.71 -1.84 8.00 0.18 -4.93 116.55 111.92 3hj1 n ASP 306 Ca 0.02 -0.77 -0.23 0.00 0.71 0.00 0.00 54.79 54.53 3hj1 n ASP 306 Cb 0.22 0.02 0.11 0.00 -0.02 0.00 0.00 41.12 41.46 3hj1 n ASP 306 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3hj1 s GLY 307 N -2.46 1.74 0.93 0.44 0.00 0.02 -4.78 107.32 103.21 3hj1 s GLY 307 Ca 0.27 -1.93 -0.15 0.00 0.00 0.00 0.00 44.72 42.92 3hj1 s GLY 307 CO 0.49 -1.33 1.29 2.56 0.00 0.00 0.00 173.10 176.10 3hj1 s PRO 308 N -5.09 0.92 0.17 2.90 0.04 -1.26 -5.03 135.00 127.64 3hj1 s PRO 308 Ca 0.67 -0.33 -0.32 0.00 0.04 0.00 0.00 61.00 61.06 3hj1 s PRO 308 Cb -0.04 -1.88 -0.11 0.00 0.04 0.00 0.00 34.50 32.51 3hj1 s PRO 308 CO 0.44 -2.23 1.75 -1.17 0.04 0.00 0.00 177.00 175.83 3hj1 s LEU 309 N -5.81 4.38 -0.52 -3.56 0.20 -1.26 -4.91 118.68 107.20 3hj1 s LEU 309 Ca 0.72 2.79 -0.21 0.00 0.69 0.00 0.00 54.13 58.12 3hj1 s LEU 309 Cb -0.05 -3.59 0.05 0.00 -0.43 0.00 0.00 46.19 42.17 3hj1 s LEU 309 CO 0.52 -0.97 0.75 -0.62 -0.29 0.00 0.00 176.35 175.74 3hj1 s ASP 310 N 1.80 6.28 0.28 3.68 -1.08 -1.26 -4.94 116.67 121.44 3hj1 s ASP 310 Ca 0.77 -0.64 -0.02 0.00 -0.52 0.00 0.00 52.55 52.14 3hj1 s ASP 310 Cb -0.48 -2.35 0.40 0.00 -1.46 0.00 0.00 42.92 39.04 3hj1 s ASP 310 CO 0.34 -1.01 1.90 -0.33 0.52 0.00 0.00 175.17 176.58 3hj1 h GLU 311 N 9.10 0.99 -0.09 4.34 4.39 -1.99 -1.05 114.58 130.28 3hj1 h GLU 311 Ca -0.27 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.31 3hj1 h GLU 311 Cb 1.09 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.54 3hj1 h GLU 311 CO 1.00 0.75 0.04 -0.91 -1.16 0.00 0.00 179.01 178.74 3hj1 h ASN 312 N 0.99 0.07 -0.81 1.42 2.35 -1.99 0.47 115.58 118.08 3hj1 h ASN 312 Ca 0.25 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.98 3hj1 h ASN 312 Cb 0.07 -0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.39 3hj1 h ASN 312 CO -0.04 0.05 0.44 -0.78 -1.65 0.00 0.00 177.43 175.46 3hj1 h ASP 313 N 0.10 1.03 -0.35 5.81 3.58 -1.88 -1.18 116.42 123.53 3hj1 h ASP 313 Ca 0.03 -0.09 -0.10 0.00 0.42 0.00 0.00 57.03 57.29 3hj1 h ASP 313 Cb 0.00 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.78 3hj1 h ASP 313 CO -0.02 0.83 -0.18 0.15 -2.88 0.00 0.00 179.24 177.14 3hj1 h PHE 314 N 1.15 0.85 -0.66 0.28 3.57 -0.97 -0.84 116.94 120.31 3hj1 h PHE 314 Ca 0.29 -0.21 0.05 0.00 3.53 0.00 0.00 57.97 61.62 3hj1 h PHE 314 Cb 0.04 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.54 3hj1 h PHE 314 CO 0.01 0.94 0.38 1.03 -2.23 0.00 0.00 178.31 178.44 3hj1 h SER 315 N 0.51 0.59 -0.42 0.41 0.87 -0.79 -1.59 113.55 113.14 3hj1 h SER 315 Ca 0.08 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.61 3hj1 h SER 315 Cb 0.72 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.56 3hj1 h SER 315 CO 0.05 0.39 0.13 0.00 -0.53 0.00 0.00 176.83 176.87 3hj1 h ALA 316 N 1.32 1.31 -0.55 6.23 0.00 -0.89 0.58 119.26 127.27 3hj1 h ALA 316 Ca 0.29 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3hj1 h ALA 316 Cb 0.13 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3hj1 h ALA 316 CO -0.15 0.49 0.11 1.03 0.00 0.00 0.00 179.25 180.72 3hj1 h SER 317 N 0.71 0.86 -0.19 0.00 0.87 -0.56 -1.59 113.55 113.65 3hj1 h SER 317 Ca 0.16 -0.25 -0.17 0.00 -1.23 0.00 0.00 61.79 60.30 3hj1 h SER 317 Cb 0.25 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 61.98 3hj1 h SER 317 CO -0.00 0.88 -0.50 0.24 -0.53 0.00 0.00 176.83 176.92 3hj1 h MET 318 N 0.79 0.77 -0.95 2.24 2.86 -0.75 -2.07 114.93 117.82 3hj1 h MET 318 Ca 0.17 -0.46 0.10 0.00 -2.06 0.00 0.00 59.70 57.45 3hj1 h MET 318 Cb 0.38 0.04 -0.07 0.00 0.06 0.00 0.00 31.60 32.01 3hj1 h MET 318 CO 0.01 1.09 0.61 0.37 1.06 0.00 0.00 176.91 180.04 3hj1 h GLN 319 N 0.60 0.94 -0.61 1.72 5.75 -0.71 -1.61 115.11 121.20 3hj1 h GLN 319 Ca 0.02 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 58.42 3hj1 h GLN 319 Cb 1.08 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 29.39 3hj1 h GLN 319 CO 0.11 0.62 0.18 -0.97 -2.65 0.00 0.00 178.83 176.12 3hj1 h ASN 320 N 0.97 0.89 -0.87 -0.69 -0.73 -0.83 -0.10 115.58 114.21 3hj1 h ASN 320 Ca 0.45 -0.21 0.03 0.00 1.87 0.00 0.00 56.30 58.44 3hj1 h ASN 320 Cb 0.40 -0.23 -0.05 0.00 0.27 0.00 0.00 38.32 38.71 3hj1 h ASN 320 CO -0.21 0.87 0.57 -0.33 -0.37 0.00 0.00 177.43 177.95 3hj1 h GLU 321 N 0.87 1.07 -0.20 6.67 4.39 -0.73 -1.90 114.58 124.75 3hj1 h GLU 321 Ca 0.19 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.77 3hj1 h GLU 321 Cb 0.30 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3hj1 h GLU 321 CO -0.00 0.71 -0.10 1.15 -1.16 0.00 0.00 179.01 179.60 3hj1 h THR 322 N 1.11 1.31 0.00 1.13 2.02 -1.04 -2.98 112.91 114.46 3hj1 h THR 322 Ca 0.35 -1.17 0.00 0.00 0.77 0.00 0.00 66.41 66.36 3hj1 h THR 322 Cb -0.01 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 3hj1 h THR 322 CO -0.11 0.35 0.00 0.35 0.37 0.00 0.00 175.52 176.48 3hj1 n THR 323 N -4.56 0.80 0.68 3.16 -2.24 -0.08 -0.95 114.28 111.09 3hj1 n THR 323 Ca -0.05 0.17 0.13 0.00 -2.27 0.00 0.00 64.05 62.03 3hj1 n THR 323 Cb 0.33 -1.07 0.46 0.00 -2.10 0.00 0.00 70.33 67.94 3hj1 n THR 323 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hj1 n GLN 324 N -2.18 0.18 -2.51 -0.78 6.02 -0.73 -4.33 117.38 113.06 3hj1 n GLN 324 Ca 0.03 0.19 -0.16 0.00 -0.01 0.00 0.00 57.00 57.05 3hj1 n GLN 324 Cb 0.25 -1.73 0.02 0.00 1.02 0.00 0.00 30.24 29.80 3hj1 n GLN 324 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3hj1 n ARG 325 N -2.06 2.47 -2.56 -1.09 1.74 -0.12 -1.28 116.66 113.76 3hj1 n ARG 325 Ca 0.05 -3.87 -0.37 0.00 -0.77 0.00 0.00 57.85 52.90 3hj1 n ARG 325 Cb 0.38 -1.84 -0.04 0.00 -1.02 0.00 0.00 32.46 29.94 3hj1 n ARG 325 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3hj1 s PRO 326 N -3.49 4.22 0.00 5.56 0.04 -1.24 -4.86 135.00 135.23 3hj1 s PRO 326 Ca 0.38 1.52 0.16 0.00 0.04 0.00 0.00 61.00 63.10 3hj1 s PRO 326 Cb 0.40 -2.60 0.33 0.00 0.04 0.00 0.00 34.50 32.67 3hj1 s PRO 326 CO -0.04 -0.09 1.24 -1.13 0.04 0.00 0.00 177.00 177.01 3hj1 n SER 327 N 0.05 2.99 -0.25 6.66 3.41 -1.26 -4.48 113.62 120.73 3hj1 n SER 327 Ca 0.04 -1.88 0.02 0.00 -0.26 0.00 0.00 58.87 56.80 3hj1 n SER 327 Cb 0.49 -0.21 0.06 0.00 -0.26 0.00 0.00 64.21 64.30 3hj1 n SER 327 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3hj1 n ASN 328 N 0.99 2.38 -4.82 4.04 6.94 -1.26 -4.87 115.26 118.67 3hj1 n ASN 328 Ca 0.14 -2.05 -0.30 0.00 -0.02 0.00 0.00 54.58 52.35 3hj1 n ASN 328 Cb 0.48 -0.11 0.07 0.00 -2.36 0.00 0.00 39.78 37.86 3hj1 n ASN 328 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3hj1 s SER 329 N -1.07 4.95 0.25 0.53 1.04 -1.26 -4.96 113.70 113.18 3hj1 s SER 329 Ca 0.10 1.41 -0.07 0.00 0.48 0.00 0.00 55.95 57.88 3hj1 s SER 329 Cb 0.06 -2.22 0.45 0.00 0.10 0.00 0.00 66.02 64.41 3hj1 s SER 329 CO 0.06 -1.69 1.63 -0.65 0.98 0.00 0.00 173.24 173.57 3hj1 h PRO 330 N -0.89 0.09 -6.20 4.02 0.11 -1.90 -3.40 132.00 123.83 3hj1 h PRO 330 Ca -0.46 -0.01 -0.61 0.00 0.11 0.00 0.00 66.00 65.04 3hj1 h PRO 330 Cb 1.24 -0.02 -0.27 0.00 0.11 0.00 0.00 31.00 32.07 3hj1 h PRO 330 CO 0.59 0.06 -0.85 0.71 -0.21 0.00 0.00 178.00 178.29 3hj1 s TYR 331 N -6.12 1.92 -0.29 0.65 2.02 -1.26 -4.87 117.35 109.40 3hj1 s TYR 331 Ca -0.13 -0.38 0.03 0.00 -0.37 0.00 0.00 57.07 56.21 3hj1 s TYR 331 Cb 0.23 -1.17 0.08 0.00 -0.40 0.00 0.00 41.96 40.70 3hj1 s TYR 331 CO 0.76 0.07 -0.01 0.08 -1.57 0.00 0.00 175.55 174.87 3hj1 s VAL 332 N -0.73 1.97 -0.18 0.71 1.01 -1.26 -4.28 120.40 117.64 3hj1 s VAL 332 Ca 0.08 -1.84 -0.01 0.00 0.00 0.00 0.00 61.98 60.21 3hj1 s VAL 332 Cb -0.09 -2.31 -0.00 0.00 0.00 0.00 0.00 36.38 33.98 3hj1 s VAL 332 CO 0.01 -0.35 -0.12 -0.69 0.00 0.00 0.00 175.10 173.95 3hj1 s VAL 333 N 1.12 2.85 -0.25 2.92 1.01 -1.26 -1.41 120.40 125.38 3hj1 s VAL 333 Ca 0.02 -0.69 -0.16 0.00 0.00 0.00 0.00 61.98 61.14 3hj1 s VAL 333 Cb -0.19 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 3hj1 s VAL 333 CO -0.08 0.49 0.44 -0.70 0.00 0.00 0.00 175.10 175.25 3hj1 s GLU 334 N 1.04 4.07 -0.19 2.72 2.12 0.03 -0.87 118.70 127.61 3hj1 s GLU 334 Ca -0.01 0.20 -0.29 0.00 0.36 0.00 0.00 54.97 55.23 3hj1 s GLU 334 Cb -0.15 -3.63 -0.01 0.00 0.26 0.00 0.00 34.13 30.61 3hj1 s GLU 334 CO -0.03 -0.26 1.22 0.34 -0.54 0.00 0.00 175.26 176.00 3hj1 s ASP 335 N 1.48 6.94 0.20 -1.70 -1.08 -0.33 -4.61 116.67 117.57 3hj1 s ASP 335 Ca 0.19 1.57 0.22 0.00 -0.52 0.00 0.00 52.55 54.00 3hj1 s ASP 335 Cb -0.16 -2.54 0.90 0.00 -1.46 0.00 0.00 42.92 39.67 3hj1 s ASP 335 CO 0.09 -0.78 1.66 2.22 0.52 0.00 0.00 175.17 178.88 3hj1 n PHE 336 N 6.68 0.63 0.73 -5.34 -1.74 -1.26 -0.40 117.46 116.75 3hj1 n PHE 336 Ca 0.14 0.25 0.11 0.00 -0.56 0.00 0.00 57.45 57.39 3hj1 n PHE 336 Cb 0.45 -0.90 0.09 0.00 1.52 0.00 0.00 39.48 40.64 3hj1 n PHE 336 CO 0.00 0.00 0.00 1.33 -0.56 0.00 0.00 176.76 177.53 3hj1 n VAL 337 N -2.07 0.13 -1.74 1.97 0.24 -1.26 -1.18 118.33 114.42 3hj1 n VAL 337 Ca 0.02 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 3hj1 n VAL 337 Cb 0.22 0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.85 3hj1 n VAL 337 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 3hj1 n ASN 338 N -1.81 0.00 -0.78 -1.34 0.23 -1.15 -4.71 115.26 105.70 3hj1 n ASN 338 Ca 0.03 -1.00 -0.10 0.00 -0.53 0.00 0.00 54.58 52.98 3hj1 n ASN 338 Cb 0.40 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.05 3hj1 n ASN 338 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 3hj1 n TYR 339 N 0.00 0.00 -1.81 -2.53 4.01 0.46 -4.96 117.16 112.32 3hj1 n TYR 339 Ca 0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.33 3hj1 n TYR 339 Cb 0.36 -2.67 -0.00 0.00 -0.31 0.00 0.00 39.34 36.72 3hj1 n TYR 339 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3hj1 s VAL 340 N -1.90 2.08 -0.86 -0.72 1.01 -1.25 -4.72 120.40 114.04 3hj1 s VAL 340 Ca 0.00 0.08 -0.22 0.00 0.00 0.00 0.00 61.98 61.84 3hj1 s VAL 340 Cb 0.00 -3.05 0.08 0.00 0.00 0.00 0.00 36.38 33.41 3hj1 s VAL 340 CO 0.00 0.02 1.18 0.21 0.00 0.00 0.00 175.10 176.51 3hj1 s ASN 341 N -0.11 6.42 0.60 3.32 2.47 -0.40 -1.19 114.94 126.04 3hj1 s ASN 341 Ca 0.53 -1.42 0.36 0.00 0.42 0.00 0.00 52.86 52.75 3hj1 s ASN 341 Cb -0.46 -2.47 1.89 0.00 -1.45 0.00 0.00 41.25 38.76 3hj1 s ASN 341 CO 0.62 -1.37 2.20 0.00 -3.72 0.00 0.00 177.10 174.83 3hj1 n GLY 343 N -0.79 0.35 0.26 0.00 0.00 -1.24 -4.62 105.19 99.14 3hj1 n GLY 343 Ca -0.02 -0.44 0.12 0.00 0.00 0.00 0.00 46.02 45.68 3hj1 n GLY 343 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3hj1 h ARG 344 N 2.37 0.00 0.00 1.61 0.11 -1.54 -2.79 114.38 114.15 3hj1 h ARG 344 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3hj1 h ARG 344 Cb 0.52 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.60 3hj1 h ARG 344 CO 0.00 0.13 -0.09 0.54 0.10 0.00 0.00 179.97 180.65 3hj1 n ARG 345 N -3.59 0.19 -1.99 0.08 1.74 -1.26 -4.77 116.66 107.05 3hj1 n ARG 345 Ca -0.01 0.14 -0.42 0.00 -0.77 0.00 0.00 57.85 56.78 3hj1 n ARG 345 Cb 0.27 -1.70 -0.03 0.00 -1.02 0.00 0.00 32.46 29.97 3hj1 n ARG 345 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3hj1 s VAL 346 N -3.08 3.55 0.56 1.55 1.01 -1.05 -4.86 120.40 118.07 3hj1 s VAL 346 Ca 0.11 0.65 -0.17 0.00 0.00 0.00 0.00 61.98 62.57 3hj1 s VAL 346 Cb 0.14 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 3hj1 s VAL 346 CO 0.60 -0.10 1.05 -1.10 0.00 0.00 0.00 175.10 175.54 3hj1 s GLN 347 N 4.29 3.50 0.33 2.72 -1.52 -1.21 -4.49 119.66 123.28 3hj1 s GLN 347 Ca 0.75 1.24 0.06 0.00 -1.95 0.00 0.00 55.36 55.46 3hj1 s GLN 347 Cb -0.32 -2.06 0.73 0.00 -0.22 0.00 0.00 33.01 31.14 3hj1 s GLN 347 CO 0.30 -0.67 1.87 0.00 -0.25 0.00 0.00 175.29 176.54 3hj1 h ALA 348 N 0.80 1.72 0.00 6.09 0.00 -1.95 -1.36 119.26 124.57 3hj1 h ALA 348 Ca -0.48 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3hj1 h ALA 348 Cb 1.22 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3hj1 h ALA 348 CO 0.58 0.05 0.00 -1.13 0.00 0.00 0.00 179.25 178.75 3hj1 n SER 349 N -4.56 0.11 0.04 0.00 3.41 -1.26 -2.47 113.62 108.89 3hj1 n SER 349 Ca 0.17 0.53 0.11 0.00 -0.26 0.00 0.00 58.87 59.42 3hj1 n SER 349 Cb 0.40 -0.55 0.08 0.00 -0.26 0.00 0.00 64.21 63.88 3hj1 n SER 349 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hj1 n ARG 350 N -1.62 0.28 -0.28 4.33 5.12 -0.51 -4.32 116.66 119.66 3hj1 n ARG 350 Ca 0.04 0.03 -0.00 0.00 -1.93 0.00 0.00 57.85 55.98 3hj1 n ARG 350 Cb 0.20 -1.62 0.12 0.00 -1.16 0.00 0.00 32.46 30.00 3hj1 n ARG 350 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3hj1 h VAL 351 N 0.00 1.02 -0.30 1.55 2.07 -1.53 -2.29 116.25 116.76 3hj1 h VAL 351 Ca 0.00 -0.29 0.06 0.00 0.82 0.00 0.00 66.70 67.29 3hj1 h VAL 351 Cb 0.72 0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.52 3hj1 h VAL 351 CO 0.00 0.16 -0.11 -0.09 0.02 0.00 0.00 177.57 177.54 3hj1 h ARG 352 N 0.86 -0.06 -0.35 1.57 2.43 -1.79 0.25 114.38 117.30 3hj1 h ARG 352 Ca 0.34 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.51 3hj1 h ARG 352 Cb 0.16 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 3hj1 h ARG 352 CO -0.17 -0.04 0.20 1.25 -1.51 0.00 0.00 179.97 179.71 3hj1 h HIS 353 N -0.06 0.46 0.06 2.20 2.76 -1.74 -1.24 115.15 117.60 3hj1 h HIS 353 Ca 0.15 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.31 3hj1 h HIS 353 Cb 0.29 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.10 3hj1 h HIS 353 CO -0.32 0.34 -0.03 0.82 -1.30 0.00 0.00 177.93 177.44 3hj1 h ILE 354 N 0.45 0.97 -0.27 6.26 2.04 -0.83 -1.62 117.51 124.50 3hj1 h ILE 354 Ca 0.12 -0.10 -0.05 0.00 1.00 0.00 0.00 64.86 65.84 3hj1 h ILE 354 Cb 0.02 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 3hj1 h ILE 354 CO -0.02 0.02 -0.04 1.56 0.00 0.00 0.00 178.15 179.68 3hj1 h GLN 355 N -0.13 0.42 -0.32 2.37 1.08 -0.49 -1.51 115.11 116.54 3hj1 h GLN 355 Ca -0.01 -0.09 -0.14 0.00 -1.45 0.00 0.00 58.65 56.96 3hj1 h GLN 355 Cb 0.11 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.47 3hj1 h GLN 355 CO 0.01 0.48 -0.37 1.96 -0.95 0.00 0.00 178.83 179.97 3hj1 h GLN 356 N 0.41 0.81 -0.63 1.46 4.20 -0.99 -1.16 115.11 119.21 3hj1 h GLN 356 Ca 0.09 -0.45 -0.05 0.00 0.06 0.00 0.00 58.65 58.31 3hj1 h GLN 356 Cb 0.33 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 3hj1 h GLN 356 CO 0.01 1.08 0.20 0.93 -0.67 0.00 0.00 178.83 180.38 3hj1 h GLU 357 N 0.58 0.94 -0.61 1.46 4.39 -0.98 0.23 114.58 120.60 3hj1 h GLU 357 Ca 0.04 -0.18 -0.10 0.00 0.34 0.00 0.00 59.36 59.47 3hj1 h GLU 357 Cb 0.96 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.43 3hj1 h GLU 357 CO 0.09 0.80 -0.01 0.74 -1.16 0.00 0.00 179.01 179.48 3hj1 h PHE 358 N 0.92 1.17 -0.60 4.33 0.04 -1.24 -0.62 116.94 120.93 3hj1 h PHE 358 Ca 0.21 -0.20 0.03 0.00 2.80 0.00 0.00 57.97 60.80 3hj1 h PHE 358 Cb 0.25 -0.30 -0.04 0.00 2.20 0.00 0.00 35.95 38.06 3hj1 h PHE 358 CO 0.02 1.03 0.36 -0.91 -0.60 0.00 0.00 178.31 178.21 3hj1 h ASN 359 N 0.98 0.59 -0.22 2.17 2.35 -0.92 -0.91 115.58 119.61 3hj1 h ASN 359 Ca 0.17 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.88 3hj1 h ASN 359 Cb 0.57 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 3hj1 h ASN 359 CO 0.03 0.41 -0.04 -0.09 -1.65 0.00 0.00 177.43 176.09 3hj1 h ARG 360 N 0.71 0.42 -0.30 0.81 2.43 -0.78 -0.40 114.38 117.28 3hj1 h ARG 360 Ca 0.24 -0.15 0.02 0.00 -0.81 0.00 0.00 59.98 59.28 3hj1 h ARG 360 Cb 0.03 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 3hj1 h ARG 360 CO -0.11 0.64 0.15 1.25 -1.51 0.00 0.00 179.97 180.40 3hj1 h LEU 361 N 0.16 0.23 -0.17 3.80 5.85 -0.97 -0.67 115.31 123.54 3hj1 h LEU 361 Ca 0.06 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.81 3hj1 h LEU 361 Cb 0.48 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3hj1 h LEU 361 CO 0.02 0.18 0.06 -0.09 -0.34 0.00 0.00 178.44 178.26 3hj1 h ARG 362 N 0.32 0.13 -0.36 1.25 2.43 -1.10 0.05 114.38 117.11 3hj1 h ARG 362 Ca 0.12 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.33 3hj1 h ARG 362 Cb 0.03 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 3hj1 h ARG 362 CO -0.08 0.09 0.11 1.49 -1.51 0.00 0.00 179.97 180.07 3hj1 h GLU 363 N 0.14 0.24 -0.33 0.20 4.81 -0.80 -1.04 114.58 117.80 3hj1 h GLU 363 Ca 0.07 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.18 3hj1 h GLU 363 Cb 0.05 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3hj1 h GLU 363 CO -0.08 0.16 -0.22 0.52 -0.73 0.00 0.00 179.01 178.67 3hj1 h MET 364 N 0.25 0.73 0.00 1.92 2.86 -0.89 0.16 114.93 119.96 3hj1 h MET 364 Ca 0.17 -0.34 -0.14 0.00 -2.06 0.00 0.00 59.70 57.33 3hj1 h MET 364 Cb 0.16 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 3hj1 h MET 364 CO -0.19 0.96 -0.65 -0.07 1.06 0.00 0.00 176.91 178.02 3hj1 h LEU 365 N 0.50 0.00 0.00 1.22 3.38 -0.90 -3.14 115.31 116.36 3hj1 h LEU 365 Ca 0.07 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 3hj1 h LEU 365 Cb 0.77 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3hj1 h LEU 365 CO 0.06 0.65 -1.02 -0.38 0.09 0.00 0.00 178.44 177.83 3hj1 n ILE 366 N -3.47 1.04 0.12 1.22 5.41 -0.40 -4.53 119.36 118.75 3hj1 n ILE 366 Ca 0.00 0.07 -0.20 0.00 1.00 0.00 0.00 62.75 63.63 3hj1 n ILE 366 Cb 0.71 -1.81 -0.15 0.00 -0.71 0.00 0.00 39.64 37.69 3hj1 n ILE 366 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 3hj1 h ASP 367 N -0.44 0.61 -0.50 4.38 3.32 -1.18 -3.34 116.42 119.26 3hj1 h ASP 367 Ca -0.15 -0.65 -0.32 0.00 0.02 0.00 0.00 57.03 55.93 3hj1 h ASP 367 Cb 0.83 -0.20 -0.20 0.00 0.22 0.00 0.00 39.33 39.98 3hj1 h ASP 367 CO -0.09 1.51 -0.19 0.29 -1.72 0.00 0.00 179.24 179.04 3hj1 n LYS 368 N -3.62 2.37 -0.32 3.56 4.76 0.39 -4.77 118.16 120.54 3hj1 n LYS 368 Ca -0.12 -3.47 0.15 0.00 -2.87 0.00 0.00 58.31 52.00 3hj1 n LYS 368 Cb 1.06 -1.98 0.33 0.00 -1.84 0.00 0.00 35.03 32.60 3hj1 n LYS 368 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 3hj1 h GLU 369 N 1.42 0.45 0.00 1.97 4.81 -1.67 0.13 114.58 121.68 3hj1 h GLU 369 Ca 0.29 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 3hj1 h GLU 369 Cb 1.49 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.76 3hj1 h GLU 369 CO 0.60 0.30 0.00 0.77 -0.73 0.00 0.00 179.01 179.94 3hj1 h SER 370 N 0.46 0.00 -0.22 1.04 0.02 -1.89 -2.43 113.55 110.53 3hj1 h SER 370 Ca 0.59 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.54 3hj1 h SER 370 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 3hj1 h SER 370 CO -0.51 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 174.56 3hj1 n GLU 371 N -2.73 1.89 -1.62 3.45 1.02 0.42 -4.61 120.64 118.46 3hj1 n GLU 371 Ca -0.02 -1.79 -0.47 0.00 -0.02 0.00 0.00 57.16 54.86 3hj1 n GLU 371 Cb 0.09 -1.33 -0.03 0.00 -0.02 0.00 0.00 31.44 30.15 3hj1 n GLU 371 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3hj1 n LEU 372 N 0.88 2.26 -3.62 -4.62 4.77 -0.91 -4.98 117.00 110.77 3hj1 n LEU 372 Ca 0.12 1.14 -0.18 0.00 -0.03 0.00 0.00 56.01 57.06 3hj1 n LEU 372 Cb 0.43 -1.32 -0.15 0.00 -2.33 0.00 0.00 43.42 40.06 3hj1 n LEU 372 CO 0.10 -0.94 -0.24 -0.54 -1.33 0.00 0.00 177.39 174.45 3hj1 s LYS 373 N -0.45 0.07 0.23 3.23 -0.14 -1.26 -4.81 119.74 116.61 3hj1 s LYS 373 Ca 0.70 0.41 -0.07 0.00 -1.36 0.00 0.00 55.97 55.66 3hj1 s LYS 373 Cb -0.75 -0.66 0.41 0.00 -1.68 0.00 0.00 37.83 35.15 3hj1 s LYS 373 CO 0.51 -0.43 1.69 0.35 -0.76 0.00 0.00 175.35 176.71 3hj1 h PHE 374 N 8.36 0.22 0.00 3.18 3.57 -1.92 -0.18 116.94 130.16 3hj1 h PHE 374 Ca -0.14 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.40 3hj1 h PHE 374 Cb 1.13 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.88 3hj1 h PHE 374 CO 0.33 -0.09 0.00 -0.44 -2.23 0.00 0.00 178.31 175.88 3hj1 h ASP 375 N 0.25 0.00 0.03 0.41 3.32 -1.97 -1.68 116.42 116.78 3hj1 h ASP 375 Ca 0.38 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.25 3hj1 h ASP 375 Cb 0.64 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 3hj1 h ASP 375 CO -0.49 0.00 -1.00 -0.08 -1.72 0.00 0.00 179.24 175.95 3hj1 h GLU 376 N 0.00 0.07 -0.54 3.56 4.57 -1.49 -3.18 114.58 117.57 3hj1 h GLU 376 Ca 0.00 -0.11 -0.02 0.00 -1.18 0.00 0.00 59.36 58.05 3hj1 h GLU 376 Cb 0.32 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 3hj1 h GLU 376 CO 0.00 1.05 0.26 0.28 -1.18 0.00 0.00 179.01 179.42 3hj1 h VAL 377 N -0.81 1.20 -0.55 0.32 2.07 -1.01 -2.50 116.25 114.97 3hj1 h VAL 377 Ca -0.25 -0.56 -0.12 0.00 0.82 0.00 0.00 66.70 66.59 3hj1 h VAL 377 Cb 1.36 0.58 -0.07 0.00 -1.52 0.00 0.00 31.29 31.64 3hj1 h VAL 377 CO -0.09 0.22 0.15 0.49 0.02 0.00 0.00 177.57 178.36 3hj1 n PHE 378 N -4.58 1.89 -1.81 1.57 3.01 -0.66 -4.96 117.46 111.92 3hj1 n PHE 378 Ca 0.03 -0.86 -0.42 0.00 1.01 0.00 0.00 57.45 57.21 3hj1 n PHE 378 Cb 0.12 -0.54 -0.03 0.00 -0.01 0.00 0.00 39.48 39.02 3hj1 n PHE 378 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 3hj1 s ARG 379 N -2.47 4.16 0.21 -1.08 3.52 -0.94 -4.86 118.95 117.49 3hj1 s ARG 379 Ca 0.44 2.50 -0.32 0.00 -0.13 0.00 0.00 55.73 58.22 3hj1 s ARG 379 Cb 0.35 -3.26 -0.12 0.00 -1.56 0.00 0.00 34.95 30.36 3hj1 s ARG 379 CO 0.12 -0.72 1.69 -2.00 -0.81 0.00 0.00 175.30 173.57 3hj1 s GLU 380 N 1.65 4.13 0.31 5.12 2.12 -1.26 -4.51 118.70 126.27 3hj1 s GLU 380 Ca 0.74 2.58 -0.29 0.00 0.36 0.00 0.00 54.97 58.36 3hj1 s GLU 380 Cb -0.46 -3.08 -0.11 0.00 0.26 0.00 0.00 34.13 30.74 3hj1 s GLU 380 CO 0.33 -0.72 1.54 0.45 -0.54 0.00 0.00 175.26 176.32 3hj1 s SER 381 N 1.09 6.41 -1.37 -1.70 0.15 0.78 -2.36 113.70 116.69 3hj1 s SER 381 Ca 0.73 2.93 -0.03 0.00 0.70 0.00 0.00 55.95 60.28 3hj1 s SER 381 Cb -0.49 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.18 3hj1 s SER 381 CO 0.34 -0.87 0.37 0.47 1.20 0.00 0.00 173.24 174.75 3hj1 n ASP 382 N 1.77 -5.36 -4.55 5.45 9.92 -1.26 -5.05 116.55 117.47 3hj1 n ASP 382 Ca 0.06 -0.18 -0.25 0.00 -0.53 0.00 0.00 54.79 53.89 3hj1 n ASP 382 Cb 0.38 -4.27 -0.11 0.00 -0.64 0.00 0.00 41.12 36.49 3hj1 n ASP 382 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3hj1 s THR 383 N -3.02 1.81 -0.15 -3.53 -4.23 -1.00 -5.18 115.64 100.34 3hj1 s THR 383 Ca 0.18 -2.04 -0.04 0.00 -1.18 0.00 0.00 61.69 58.61 3hj1 s THR 383 Cb -0.08 -2.84 -0.03 0.00 1.34 0.00 0.00 72.50 70.89 3hj1 s THR 383 CO 0.23 -0.06 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.53 3hj1 s VAL 384 N -2.86 4.02 -2.00 2.29 1.01 -1.26 -4.99 120.40 116.60 3hj1 s VAL 384 Ca 0.34 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.02 3hj1 s VAL 384 Cb 0.08 -2.75 0.04 0.00 0.00 0.00 0.00 36.38 33.75 3hj1 s VAL 384 CO 0.17 0.50 0.58 -0.81 0.00 0.00 0.00 175.10 175.54