#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m72 s PHE 7 N 0.00 -0.58 -0.22 6.00 -0.12 -1.26 -5.14 117.98 116.66 3m72 s PHE 7 Ca 0.00 0.72 -0.21 0.00 -0.05 0.00 0.00 56.93 57.40 3m72 s PHE 7 Cb 0.00 0.48 -0.02 0.00 -0.63 0.00 0.00 43.02 42.85 3m72 s PHE 7 CO 0.00 -0.69 0.64 -1.25 -0.05 0.00 0.00 175.22 173.87 3m72 s PRO 8 N -2.34 4.17 0.08 1.99 0.04 -1.26 -4.88 135.00 132.81 3m72 s PRO 8 Ca -0.05 0.60 -0.31 0.00 0.04 0.00 0.00 61.00 61.28 3m72 s PRO 8 Cb -0.00 -3.61 -0.07 0.00 0.04 0.00 0.00 34.50 30.85 3m72 s PRO 8 CO -0.01 -0.32 1.42 -1.17 0.04 0.00 0.00 177.00 176.96 3m72 s LEU 9 N 2.19 4.36 -0.04 -3.56 2.96 -1.26 -4.96 118.68 118.36 3m72 s LEU 9 Ca 0.28 2.29 -0.30 0.00 -0.22 0.00 0.00 54.13 56.18 3m72 s LEU 9 Cb -0.16 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 3m72 s LEU 9 CO 0.09 -0.69 1.24 -2.84 -1.32 0.00 0.00 176.35 172.84 3m72 s PRO 10 N 1.54 4.34 0.46 0.98 0.02 -1.26 -4.89 135.00 136.18 3m72 s PRO 10 Ca 0.65 1.74 0.12 0.00 0.02 0.00 0.00 61.00 63.52 3m72 s PRO 10 Cb -0.36 -3.56 1.04 0.00 0.02 0.00 0.00 34.50 31.64 3m72 s PRO 10 CO 0.30 -0.47 2.08 1.15 -0.33 0.00 0.00 177.00 179.73 3m72 h THR 11 N 4.98 1.03 0.00 0.99 2.02 -1.94 -1.05 112.91 118.95 3m72 h THR 11 Ca -0.35 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 66.72 3m72 h THR 11 Cb 1.17 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 3m72 h THR 11 CO 0.88 0.06 0.03 1.23 0.37 0.00 0.00 175.52 178.10 3m72 h GLY 12 N 0.33 0.00 2.00 2.16 0.00 -1.90 -2.36 103.07 103.30 3m72 h GLY 12 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 3m72 h GLY 12 CO -0.02 0.00 0.00 -0.97 0.00 0.00 0.00 176.54 175.55 3m72 h TYR 13 N 0.00 0.00 0.00 5.60 -1.99 -1.57 -1.09 116.97 117.91 3m72 h TYR 13 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3m72 h TYR 13 Cb 0.07 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.80 3m72 h TYR 13 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 178.16 178.90 3m72 h PHE 14 N 0.00 0.00 -0.01 4.88 0.04 -1.65 -1.51 116.94 118.69 3m72 h PHE 14 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3m72 h PHE 14 Cb 0.09 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.24 3m72 h PHE 14 CO 0.00 0.00 0.01 0.78 -0.60 0.00 0.00 178.31 178.50 3m72 h GLY 15 N 0.91 0.00 0.49 -1.45 0.00 -1.44 -2.13 103.07 99.45 3m72 h GLY 15 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3m72 h GLY 15 CO 0.00 0.00 -0.22 -2.22 0.00 0.00 0.00 176.54 174.10 3m72 h ILE 16 N 0.00 0.10 -0.01 2.60 2.04 -1.49 -1.79 117.51 118.96 3m72 h ILE 16 Ca 0.01 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 3m72 h ILE 16 Cb 0.03 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.26 3m72 h ILE 16 CO -0.00 0.02 -0.10 1.55 0.00 0.00 0.00 178.15 179.62 3m72 h PRO 17 N -1.13 0.01 -0.20 2.37 0.13 -1.72 -1.82 132.00 129.64 3m72 h PRO 17 Ca -0.06 -0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.09 3m72 h PRO 17 Cb 0.50 -0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.60 3m72 h PRO 17 CO 0.10 0.12 0.02 1.25 -0.23 0.00 0.00 178.00 179.26 3m72 h LEU 18 N 0.01 -0.02 -0.47 1.56 5.85 -1.38 0.15 115.31 121.00 3m72 h LEU 18 Ca 0.00 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 3m72 h LEU 18 Cb 0.19 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 3m72 h LEU 18 CO 0.01 0.02 0.02 1.23 -0.34 0.00 0.00 178.44 179.38 3m72 h GLY 19 N 0.10 0.89 1.43 3.75 0.00 -0.84 -1.41 103.07 106.99 3m72 h GLY 19 Ca 0.09 -0.63 -0.11 0.00 0.00 0.00 0.00 47.33 46.67 3m72 h GLY 19 CO -0.13 0.58 -0.27 1.41 0.00 0.00 0.00 176.54 178.13 3m72 h LEU 20 N 0.68 0.66 -0.16 3.11 3.38 -1.16 -1.60 115.31 120.22 3m72 h LEU 20 Ca 0.14 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3m72 h LEU 20 Cb 0.47 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3m72 h LEU 20 CO 0.02 0.91 0.03 0.00 0.09 0.00 0.00 178.44 179.48 3m72 h ALA 21 N 1.14 0.22 -0.68 1.53 0.00 -0.54 -0.46 119.26 120.46 3m72 h ALA 21 Ca 0.07 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.84 3m72 h ALA 21 Cb 0.76 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 3m72 h ALA 21 CO 0.06 -0.12 0.45 0.00 0.00 0.00 0.00 179.25 179.64 3m72 h ALA 22 N 0.82 1.59 -0.16 0.00 0.00 -1.19 -1.82 119.26 118.50 3m72 h ALA 22 Ca 0.05 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 3m72 h ALA 22 Cb 0.30 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3m72 h ALA 22 CO 0.00 0.34 -0.65 1.25 0.00 0.00 0.00 179.25 180.20 3m72 h LEU 23 N 0.84 0.68 -0.61 0.00 5.85 -0.89 -1.72 115.31 119.45 3m72 h LEU 23 Ca 0.27 -0.40 0.07 0.00 0.84 0.00 0.00 57.88 58.66 3m72 h LEU 23 Cb 0.02 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 3m72 h LEU 23 CO -0.07 1.15 0.29 -1.28 -0.34 0.00 0.00 178.44 178.19 3m72 h SER 24 N 0.43 0.38 -0.34 1.25 0.87 -0.54 -1.99 113.55 113.62 3m72 h SER 24 Ca -0.01 0.05 -0.09 0.00 -1.23 0.00 0.00 61.79 60.50 3m72 h SER 24 Cb 1.22 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 63.15 3m72 h SER 24 CO 0.12 0.24 -0.11 -0.07 -0.53 0.00 0.00 176.83 176.48 3m72 h LEU 25 N 0.53 0.76 -0.38 2.23 3.38 -1.01 -0.67 115.31 120.16 3m72 h LEU 25 Ca 0.29 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3m72 h LEU 25 Cb 0.27 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3m72 h LEU 25 CO -0.23 0.90 0.24 0.00 0.09 0.00 0.00 178.44 179.44 3m72 h ALA 26 N 1.17 0.48 -0.18 1.53 0.00 -0.82 -2.40 119.26 119.04 3m72 h ALA 26 Ca 0.12 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3m72 h ALA 26 Cb 0.59 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3m72 h ALA 26 CO 0.04 -0.05 -0.30 -1.49 0.00 0.00 0.00 179.25 177.45 3m72 h TRP 27 N 0.50 0.39 -0.91 0.00 4.06 -1.06 -2.82 115.95 116.10 3m72 h TRP 27 Ca 0.14 -0.09 0.07 0.00 2.06 0.00 0.00 58.89 61.07 3m72 h TRP 27 Cb -0.03 -0.09 -0.06 0.00 -1.00 0.00 0.00 29.16 27.97 3m72 h TRP 27 CO -0.04 0.62 0.59 0.35 -3.56 0.00 0.00 178.44 176.40 3m72 h PHE 28 N 0.30 1.04 0.00 0.49 3.57 -0.64 -1.41 116.94 120.29 3m72 h PHE 28 Ca 0.04 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3m72 h PHE 28 Cb 0.69 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.09 3m72 h PHE 28 CO 0.02 0.53 0.00 0.72 -2.23 0.00 0.00 178.31 177.34 3m72 n HIS 29 N -4.50 0.00 1.15 0.41 8.25 -1.01 -2.00 115.22 117.51 3m72 n HIS 29 Ca 0.14 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.73 3m72 n HIS 29 Cb 0.23 -0.35 0.22 0.00 1.12 0.00 0.00 29.99 31.21 3m72 n HIS 29 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3m72 n LEU 30 N -1.35 1.45 -0.26 2.41 4.77 -0.53 -4.63 117.00 118.85 3m72 n LEU 30 Ca 0.09 -0.47 0.10 0.00 -0.03 0.00 0.00 56.01 55.70 3m72 n LEU 30 Cb 0.20 -0.07 0.35 0.00 -2.33 0.00 0.00 43.42 41.57 3m72 n LEU 30 CO 0.18 0.27 1.22 -0.08 -1.33 0.00 0.00 177.39 177.65 3m72 h GLU 31 N 1.72 0.74 0.00 3.23 4.81 -1.46 0.16 114.58 123.78 3m72 h GLU 31 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3m72 h GLU 31 Cb 0.61 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.82 3m72 h GLU 31 CO 0.00 0.49 0.00 -0.91 -0.73 0.00 0.00 179.01 177.86 3m72 h ASN 32 N 0.76 0.00 0.07 1.04 4.21 -1.83 -2.69 115.58 117.13 3m72 h ASN 32 Ca 0.42 0.00 -0.37 0.00 1.21 0.00 0.00 56.30 57.56 3m72 h ASN 32 Cb 0.56 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.72 3m72 h ASN 32 CO -0.18 0.00 -2.19 0.18 -1.29 0.00 0.00 177.43 173.95 3m72 n LEU 33 N -2.33 2.74 -3.56 1.61 4.77 -0.11 -4.82 117.00 115.29 3m72 n LEU 33 Ca 0.05 0.08 -0.29 0.00 -0.03 0.00 0.00 56.01 55.82 3m72 n LEU 33 Cb 0.41 -1.02 -0.15 0.00 -2.33 0.00 0.00 43.42 40.33 3m72 n LEU 33 CO 0.29 0.87 -0.33 -0.36 -1.33 0.00 0.00 177.39 176.53 3m72 s PHE 34 N -2.54 0.57 0.38 -1.77 0.08 0.39 -5.05 117.98 110.05 3m72 s PHE 34 Ca -0.28 -1.11 0.13 0.00 0.12 0.00 0.00 56.93 55.78 3m72 s PHE 34 Cb 0.08 -1.02 0.94 0.00 -0.57 0.00 0.00 43.02 42.45 3m72 s PHE 34 CO 0.69 -0.84 1.84 -1.35 -0.10 0.00 0.00 175.22 175.46 3m72 h PRO 35 N 8.15 0.55 0.00 0.24 0.11 -1.70 0.42 132.00 139.77 3m72 h PRO 35 Ca -0.15 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.92 3m72 h PRO 35 Cb 1.00 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3m72 h PRO 35 CO 0.42 0.36 0.00 0.00 -0.21 0.00 0.00 178.00 178.57 3m72 h ALA 36 N 1.61 1.00 0.00 -0.75 0.00 -1.93 -1.91 119.26 117.28 3m72 h ALA 36 Ca 0.49 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.39 3m72 h ALA 36 Cb 0.99 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 3m72 h ALA 36 CO -0.23 0.00 -0.02 0.00 0.00 0.00 0.00 179.25 179.00 3m72 h ALA 37 N 2.04 1.75 -0.55 0.00 0.00 -1.22 -2.51 119.26 118.78 3m72 h ALA 37 Ca 0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3m72 h ALA 37 Cb 0.10 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3m72 h ALA 37 CO 0.00 0.02 -0.11 -0.09 0.00 0.00 0.00 179.25 179.08 3m72 h ARG 38 N 0.00 1.03 -0.55 0.00 9.65 -1.53 -0.17 114.38 122.80 3m72 h ARG 38 Ca -0.00 -0.38 -0.05 0.00 -1.10 0.00 0.00 59.98 58.45 3m72 h ARG 38 Cb 0.04 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.53 3m72 h ARG 38 CO 0.00 1.07 0.15 1.98 2.80 0.00 0.00 179.97 185.97 3m72 h MET 39 N 0.92 0.88 -0.49 0.20 4.05 -1.64 0.16 114.93 119.00 3m72 h MET 39 Ca 0.14 -0.20 -0.00 0.00 -0.28 0.00 0.00 59.70 59.36 3m72 h MET 39 Cb 0.68 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.33 3m72 h MET 39 CO 0.05 0.81 0.30 0.28 0.23 0.00 0.00 176.91 178.58 3m72 h VAL 40 N 0.78 1.14 -0.40 -5.77 2.07 -1.38 -0.74 116.25 111.95 3m72 h VAL 40 Ca 0.18 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.39 3m72 h VAL 40 Cb 0.32 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3m72 h VAL 40 CO -0.00 0.14 0.26 -1.28 0.02 0.00 0.00 177.57 176.71 3m72 h SER 41 N 0.65 0.44 -0.47 0.57 0.87 -0.74 -1.49 113.55 113.38 3m72 h SER 41 Ca 0.18 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 3m72 h SER 41 Cb -0.03 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 3m72 h SER 41 CO -0.03 0.32 0.25 0.44 -0.53 0.00 0.00 176.83 177.27 3m72 h ASP 42 N 0.53 0.60 -0.05 6.23 3.32 -0.33 0.54 116.42 127.25 3m72 h ASP 42 Ca 0.15 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 3m72 h ASP 42 Cb -0.05 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.35 3m72 h ASP 42 CO -0.04 0.53 0.03 0.58 -1.72 0.00 0.00 179.24 178.62 3m72 h VAL 43 N 0.62 1.05 -0.64 -1.35 2.07 -0.93 0.00 116.25 117.07 3m72 h VAL 43 Ca 0.16 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 3m72 h VAL 43 Cb 0.08 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 3m72 h VAL 43 CO -0.02 0.04 0.32 -0.07 0.02 0.00 0.00 177.57 177.85 3m72 h LEU 44 N 0.03 0.80 -0.40 2.57 3.38 -1.13 -1.65 115.31 118.91 3m72 h LEU 44 Ca 0.02 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 3m72 h LEU 44 Cb 0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3m72 h LEU 44 CO -0.00 0.68 -0.19 1.23 0.09 0.00 0.00 178.44 180.24 3m72 h GLY 45 N 0.97 0.91 0.93 0.83 0.00 -0.51 0.48 103.07 106.67 3m72 h GLY 45 Ca 0.22 -0.82 -0.06 0.00 0.00 0.00 0.00 47.33 46.68 3m72 h GLY 45 CO -0.03 0.74 -0.01 -2.22 0.00 0.00 0.00 176.54 175.02 3m72 h ILE 46 N 0.65 1.26 -0.35 2.60 2.04 -0.75 -0.34 117.51 122.62 3m72 h ILE 46 Ca 0.09 -1.01 -0.00 0.00 1.00 0.00 0.00 64.86 64.94 3m72 h ILE 46 Cb 0.75 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 3m72 h ILE 46 CO 0.06 0.33 0.20 0.58 0.00 0.00 0.00 178.15 179.33 3m72 h VAL 47 N 0.46 1.13 -0.52 1.67 2.07 -1.23 -0.21 116.25 119.62 3m72 h VAL 47 Ca 0.10 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.32 3m72 h VAL 47 Cb 0.48 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 3m72 h VAL 47 CO 0.02 0.13 0.33 0.00 0.02 0.00 0.00 177.57 178.07 3m72 h ALA 48 N 1.08 0.66 -0.65 1.67 0.00 -0.81 -0.84 119.26 120.37 3m72 h ALA 48 Ca 0.13 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3m72 h ALA 48 Cb 0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3m72 h ALA 48 CO -0.02 0.07 0.20 0.77 0.00 0.00 0.00 179.25 180.26 3m72 h SER 49 N 0.67 0.95 -0.23 0.00 0.02 -0.85 -0.03 113.55 114.07 3m72 h SER 49 Ca 0.20 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 3m72 h SER 49 Cb -0.04 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.24 3m72 h SER 49 CO -0.06 0.91 0.10 0.00 -1.14 0.00 0.00 176.83 176.64 3m72 h ALA 50 N 1.08 0.30 -0.67 3.77 0.00 -0.67 0.48 119.26 123.54 3m72 h ALA 50 Ca 0.21 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3m72 h ALA 50 Cb 0.30 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3m72 h ALA 50 CO -0.01 -0.11 0.30 0.28 0.00 0.00 0.00 179.25 179.72 3m72 h VAL 51 N 0.23 1.23 -0.26 0.00 2.07 -1.03 -2.08 116.25 116.41 3m72 h VAL 51 Ca 0.08 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 66.93 3m72 h VAL 51 Cb 0.16 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 3m72 h VAL 51 CO -0.01 0.28 0.15 -0.25 0.02 0.00 0.00 177.57 177.76 3m72 h TRP 52 N 0.94 0.28 -0.50 1.57 7.01 -0.71 -0.35 115.95 124.18 3m72 h TRP 52 Ca 0.23 0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.32 3m72 h TRP 52 Cb 0.15 -0.09 -0.07 0.00 -2.10 0.00 0.00 29.16 27.05 3m72 h TRP 52 CO 0.01 0.17 0.13 0.82 -2.79 0.00 0.00 178.44 176.77 3m72 h ILE 53 N 0.31 0.76 -0.45 2.65 2.04 -0.66 0.20 117.51 122.35 3m72 h ILE 53 Ca 0.10 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 3m72 h ILE 53 Cb 0.00 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 3m72 h ILE 53 CO -0.05 0.05 0.25 0.25 0.00 0.00 0.00 178.15 178.66 3m72 h LEU 54 N 0.28 0.56 -0.52 1.44 5.85 -0.97 -1.48 115.31 120.47 3m72 h LEU 54 Ca 0.25 -0.08 -0.16 0.00 0.84 0.00 0.00 57.88 58.73 3m72 h LEU 54 Cb 0.31 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3m72 h LEU 54 CO -0.30 0.48 -0.53 -0.26 -0.34 0.00 0.00 178.44 177.49 3m72 h PHE 55 N 0.59 0.73 -0.34 1.25 -1.00 -0.48 0.01 116.94 117.71 3m72 h PHE 55 Ca 0.16 -0.25 0.01 0.00 2.81 0.00 0.00 57.97 60.70 3m72 h PHE 55 Cb 0.04 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 39.43 3m72 h PHE 55 CO -0.02 0.99 0.20 0.82 -1.61 0.00 0.00 178.31 178.68 3m72 h ILE 56 N 0.46 1.05 -0.74 -0.55 1.08 -0.43 0.16 117.51 118.52 3m72 h ILE 56 Ca 0.01 -0.14 -0.05 0.00 -0.39 0.00 0.00 64.86 64.29 3m72 h ILE 56 Cb 1.07 0.60 -0.03 0.00 -3.07 0.00 0.00 36.82 35.39 3m72 h ILE 56 CO 0.10 0.08 0.27 -0.07 -0.69 0.00 0.00 178.15 177.84 3m72 h LEU 57 N 0.41 1.05 -0.95 1.44 3.38 -0.93 0.92 115.31 120.63 3m72 h LEU 57 Ca 0.13 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 3m72 h LEU 57 Cb -0.01 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 3m72 h LEU 57 CO -0.05 0.95 -0.04 0.24 0.09 0.00 0.00 178.44 179.63 3m72 h MET 58 N 1.09 0.72 -0.06 1.13 2.86 -0.69 -1.52 114.93 118.46 3m72 h MET 58 Ca 0.25 -0.20 -0.18 0.00 -2.06 0.00 0.00 59.70 57.50 3m72 h MET 58 Cb 0.25 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 3m72 h MET 58 CO -0.02 0.76 -0.75 -0.92 1.06 0.00 0.00 176.91 177.05 3m72 h TYR 59 N 0.67 0.48 -0.70 -0.22 3.20 -0.16 -1.16 116.97 119.08 3m72 h TYR 59 Ca 0.13 -0.22 0.05 0.00 3.14 0.00 0.00 58.73 61.83 3m72 h TYR 59 Cb 0.47 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.62 3m72 h TYR 59 CO 0.02 0.97 0.41 0.00 -1.64 0.00 0.00 178.16 177.93 3m72 h ALA 60 N 0.96 0.94 -0.65 1.82 0.00 -0.64 0.11 119.26 121.81 3m72 h ALA 60 Ca -0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3m72 h ALA 60 Cb 1.32 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 3m72 h ALA 60 CO 0.12 0.13 0.39 -0.92 0.00 0.00 0.00 179.25 178.97 3m72 h TYR 61 N 0.78 0.86 -0.67 0.00 3.20 -0.95 -1.88 116.97 118.30 3m72 h TYR 61 Ca 0.30 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.17 3m72 h TYR 61 Cb 0.13 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.08 3m72 h TYR 61 CO -0.06 0.59 0.43 -0.22 -1.64 0.00 0.00 178.16 177.26 3m72 h LYS 62 N 0.88 0.90 -0.45 1.82 3.64 -0.64 0.63 116.57 123.35 3m72 h LYS 62 Ca 0.23 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.50 3m72 h LYS 62 Cb -0.01 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.59 3m72 h LYS 62 CO -0.04 0.62 0.09 -0.07 -2.27 0.00 0.00 179.45 177.77 3m72 h LEU 63 N 0.91 0.64 0.22 5.20 3.38 -0.73 0.42 115.31 125.35 3m72 h LEU 63 Ca 0.24 -0.11 -0.33 0.00 0.09 0.00 0.00 57.88 57.78 3m72 h LEU 63 Cb -0.07 -0.17 0.03 0.00 0.09 0.00 0.00 40.66 40.54 3m72 h LEU 63 CO -0.05 0.65 -1.42 -0.09 0.09 0.00 0.00 178.44 177.62 3m72 h ARG 64 N 0.67 0.53 0.00 1.13 9.65 -0.83 -3.35 114.38 122.18 3m72 h ARG 64 Ca 0.15 -0.87 0.00 0.00 -1.10 0.00 0.00 59.98 58.16 3m72 h ARG 64 Cb 0.28 0.32 0.00 0.00 -1.39 0.00 0.00 29.97 29.18 3m72 h ARG 64 CO 0.00 1.41 -0.51 0.66 2.80 0.00 0.00 179.97 184.33 3m72 n TYR 65 N -3.71 0.00 -2.49 2.20 4.01 0.17 -4.64 117.16 112.69 3m72 n TYR 65 Ca -0.15 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.47 3m72 n TYR 65 Cb 1.08 -0.03 0.03 0.00 -0.31 0.00 0.00 39.34 40.11 3m72 n TYR 65 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3m72 n TYR 66 N -1.27 1.94 -0.21 -0.72 4.01 0.15 -4.94 117.16 116.12 3m72 n TYR 66 Ca 0.00 -2.27 0.02 0.00 -0.16 0.00 0.00 57.90 55.49 3m72 n TYR 66 Cb 0.10 -0.27 0.27 0.00 -0.31 0.00 0.00 39.34 39.13 3m72 n TYR 66 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 3m72 h PHE 67 N 2.47 0.90 0.00 -0.72 3.57 -1.61 -1.14 116.94 120.42 3m72 h PHE 67 Ca 0.08 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 3m72 h PHE 67 Cb 1.35 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.78 3m72 h PHE 67 CO 0.65 0.54 -0.05 0.93 -2.23 0.00 0.00 178.31 178.16 3m72 h GLU 68 N 0.95 0.00 -0.34 1.11 4.39 -1.92 0.24 114.58 119.01 3m72 h GLU 68 Ca 0.29 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.82 3m72 h GLU 68 Cb -0.02 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.62 3m72 h GLU 68 CO -0.07 0.05 -0.42 0.93 -1.16 0.00 0.00 179.01 178.33 3m72 h GLU 69 N 0.00 0.88 -0.35 2.33 5.08 -1.57 -1.46 114.58 119.50 3m72 h GLU 69 Ca -0.00 -0.50 -0.02 0.00 -1.00 0.00 0.00 59.36 57.84 3m72 h GLU 69 Cb 0.09 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 3m72 h GLU 69 CO 0.01 1.14 0.13 0.28 -1.00 0.00 0.00 179.01 179.56 3m72 h VAL 70 N 0.68 1.19 -0.60 3.13 2.07 -1.14 -1.57 116.25 120.02 3m72 h VAL 70 Ca 0.04 -0.61 0.06 0.00 0.82 0.00 0.00 66.70 67.02 3m72 h VAL 70 Cb 1.01 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 3m72 h VAL 70 CO 0.10 0.21 0.31 -0.09 0.02 0.00 0.00 177.57 178.12 3m72 h ARG 71 N 0.41 0.56 -0.62 1.57 2.43 -0.50 0.17 114.38 118.40 3m72 h ARG 71 Ca 0.11 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.16 3m72 h ARG 71 Cb 0.21 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 3m72 h ARG 71 CO -0.01 0.37 0.04 0.00 -1.51 0.00 0.00 179.97 178.86 3m72 h ALA 72 N 1.34 0.90 -0.39 2.80 0.00 -1.11 -1.41 119.26 121.38 3m72 h ALA 72 Ca 0.28 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3m72 h ALA 72 Cb 0.20 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3m72 h ALA 72 CO -0.20 0.66 0.12 0.93 0.00 0.00 0.00 179.25 180.76 3m72 h GLU 73 N 0.97 0.61 -0.48 0.00 5.08 -0.86 -1.74 114.58 118.17 3m72 h GLU 73 Ca 0.18 -0.13 0.03 0.00 -1.00 0.00 0.00 59.36 58.44 3m72 h GLU 73 Cb 0.50 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 3m72 h GLU 73 CO 0.02 0.62 0.27 -0.92 -1.00 0.00 0.00 179.01 178.00 3m72 h TYR 74 N 0.49 0.50 0.00 4.33 3.20 -0.68 -2.13 116.97 122.67 3m72 h TYR 74 Ca 0.13 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.01 3m72 h TYR 74 Cb 0.26 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.38 3m72 h TYR 74 CO 0.01 0.27 -0.05 0.45 -1.64 0.00 0.00 178.16 177.20 3m72 h HIS 75 N 0.53 0.00 -2.96 -3.82 3.86 -1.18 -3.41 115.15 108.17 3m72 h HIS 75 Ca 0.20 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.88 3m72 h HIS 75 Cb 0.06 0.00 0.05 0.00 1.06 0.00 0.00 27.41 28.58 3m72 h HIS 75 CO -0.08 0.00 0.88 0.45 0.86 0.00 0.00 177.93 180.04 3m72 s SER 76 N -4.79 6.53 0.00 2.45 0.15 -0.66 -4.90 113.70 112.48 3m72 s SER 76 Ca 0.10 2.72 0.20 0.00 0.70 0.00 0.00 55.95 59.66 3m72 s SER 76 Cb 0.11 -2.61 0.93 0.00 -1.71 0.00 0.00 66.02 62.75 3m72 s SER 76 CO 0.62 -0.84 1.63 -0.81 1.20 0.00 0.00 173.24 175.04 3m72 n PRO 77 N 3.45 0.15 -0.07 5.44 -0.04 -1.26 -2.62 135.00 140.04 3m72 n PRO 77 Ca 0.12 0.13 -0.15 0.00 -0.04 0.00 0.00 63.50 63.56 3m72 n PRO 77 Cb 0.38 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.29 3m72 n PRO 77 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3m72 n VAL 78 N -1.39 1.04 0.44 0.52 0.31 -1.26 -4.77 118.33 113.22 3m72 n VAL 78 Ca 0.07 -0.11 0.13 0.00 -0.01 0.00 0.00 64.34 64.42 3m72 n VAL 78 Cb 0.19 -1.81 0.48 0.00 -0.91 0.00 0.00 33.84 31.79 3m72 n VAL 78 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3m72 h ARG 79 N -0.60 0.00 -0.20 5.55 3.08 -1.79 -3.18 114.38 117.24 3m72 h ARG 79 Ca -0.32 0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.75 3m72 h ARG 79 Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.22 3m72 h ARG 79 CO -0.19 0.00 0.14 0.27 -1.07 0.00 0.00 179.97 179.11 3m72 h PHE 80 N 0.00 0.17 -0.37 3.04 -5.15 -1.14 -2.90 116.94 110.59 3m72 h PHE 80 Ca 0.00 0.00 0.01 0.00 -0.20 0.00 0.00 57.97 57.78 3m72 h PHE 80 Cb 0.50 -0.06 -0.02 0.00 0.22 0.00 0.00 35.95 36.59 3m72 h PHE 80 CO 0.00 0.10 0.24 0.77 -2.00 0.00 0.00 178.31 177.42 3m72 h SER 81 N 0.17 0.41 0.57 -0.68 0.02 -1.85 -1.90 113.55 110.29 3m72 h SER 81 Ca 0.08 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.98 3m72 h SER 81 Cb 0.12 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3m72 h SER 81 CO -0.01 0.29 -0.18 -0.26 -1.14 0.00 0.00 176.83 175.52 3m72 h PHE 82 N 0.48 0.00 -0.20 3.45 0.04 -1.77 -1.54 116.94 117.40 3m72 h PHE 82 Ca 0.14 0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.96 3m72 h PHE 82 Cb -0.03 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 3m72 h PHE 82 CO -0.00 0.18 0.15 0.82 -0.60 0.00 0.00 178.31 178.86 3m72 h ILE 83 N 0.00 0.89 0.00 -0.55 2.04 -1.52 -1.22 117.51 117.15 3m72 h ILE 83 Ca -0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 3m72 h ILE 83 Cb 0.52 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 3m72 h ILE 83 CO 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 178.15 178.17 3m72 h ALA 84 N 1.90 1.03 0.00 1.87 0.00 -1.43 -1.11 119.26 121.52 3m72 h ALA 84 Ca 0.10 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3m72 h ALA 84 Cb 0.38 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3m72 h ALA 84 CO -0.00 0.00 -0.01 -0.07 0.00 0.00 0.00 179.25 179.18 3m72 h LEU 85 N 0.00 0.00 0.41 0.00 3.38 -1.39 -2.12 115.31 115.60 3m72 h LEU 85 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3m72 h LEU 85 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3m72 h LEU 85 CO 0.00 0.01 -0.20 0.40 0.09 0.00 0.00 178.44 178.74 3m72 h ILE 86 N 0.00 0.42 -0.12 1.22 2.04 -1.38 -0.67 117.51 119.03 3m72 h ILE 86 Ca -0.00 -0.58 -0.07 0.00 1.00 0.00 0.00 64.86 65.21 3m72 h ILE 86 Cb 0.01 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 3m72 h ILE 86 CO 0.00 0.08 -0.24 1.55 0.00 0.00 0.00 178.15 179.54 3m72 h PRO 87 N -0.96 0.20 0.16 2.37 0.13 -1.71 -1.57 132.00 130.62 3m72 h PRO 87 Ca -0.06 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.01 3m72 h PRO 87 Cb 0.55 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.66 3m72 h PRO 87 CO 0.09 0.44 -0.10 0.82 -0.23 0.00 0.00 178.00 179.02 3m72 h ILE 88 N 0.19 0.78 -0.72 -3.56 2.04 -1.37 -1.50 117.51 113.38 3m72 h ILE 88 Ca 0.03 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.86 3m72 h ILE 88 Cb 0.53 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 3m72 h ILE 88 CO 0.04 0.00 0.30 0.74 0.00 0.00 0.00 178.15 179.23 3m72 h THR 89 N -0.26 1.24 -0.75 -0.27 2.02 -1.02 -2.03 112.91 111.84 3m72 h THR 89 Ca -0.01 -0.73 0.05 0.00 0.77 0.00 0.00 66.41 66.48 3m72 h THR 89 Cb 0.22 0.36 -0.05 0.00 -1.74 0.00 0.00 68.15 66.93 3m72 h THR 89 CO 0.01 0.30 0.46 0.74 0.37 0.00 0.00 175.52 177.40 3m72 h THR 90 N 1.04 1.06 -0.40 3.16 2.02 -1.06 0.12 112.91 118.84 3m72 h THR 90 Ca 0.24 -0.30 -0.05 0.00 0.77 0.00 0.00 66.41 67.07 3m72 h THR 90 Cb 0.17 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.67 3m72 h THR 90 CO -0.02 0.16 0.05 0.24 0.37 0.00 0.00 175.52 176.31 3m72 h MET 91 N 0.87 0.67 -0.58 6.66 2.86 -0.75 -1.65 114.93 123.01 3m72 h MET 91 Ca 0.32 -0.19 -0.07 0.00 -2.06 0.00 0.00 59.70 57.70 3m72 h MET 91 Cb 0.10 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 3m72 h MET 91 CO -0.14 0.73 0.08 -0.07 1.06 0.00 0.00 176.91 178.57 3m72 h LEU 92 N 0.52 0.90 -1.01 1.22 3.38 -0.85 0.54 115.31 120.01 3m72 h LEU 92 Ca 0.12 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3m72 h LEU 92 Cb 0.40 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 3m72 h LEU 92 CO 0.01 0.91 0.53 0.58 0.09 0.00 0.00 178.44 180.56 3m72 h VAL 93 N 0.89 1.25 -0.35 1.22 2.07 -0.89 -0.80 116.25 119.63 3m72 h VAL 93 Ca 0.18 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 67.17 3m72 h VAL 93 Cb 0.41 -0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 3m72 h VAL 93 CO 0.01 0.26 0.21 1.23 0.02 0.00 0.00 177.57 179.30 3m72 h GLY 94 N 1.24 0.48 0.88 2.17 0.00 -0.24 0.12 103.07 107.72 3m72 h GLY 94 Ca 0.32 -0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.52 3m72 h GLY 94 CO -0.06 0.14 0.53 -0.55 0.00 0.00 0.00 176.54 176.60 3m72 h ASP 95 N 0.42 0.88 0.14 0.19 5.19 -0.32 -0.85 116.42 122.08 3m72 h ASP 95 Ca 0.14 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.53 3m72 h ASP 95 Cb -0.00 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.31 3m72 h ASP 95 CO -0.06 0.61 -0.07 0.40 -3.12 0.00 0.00 179.24 177.00 3m72 h ILE 96 N 1.04 0.88 0.00 0.35 2.04 -0.67 -3.10 117.51 118.05 3m72 h ILE 96 Ca 0.33 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 66.09 3m72 h ILE 96 Cb 0.01 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 3m72 h ILE 96 CO -0.11 0.02 -0.08 -0.07 0.00 0.00 0.00 178.15 177.91 3m72 h LEU 97 N -0.23 0.00 -1.89 1.44 3.38 -0.36 -2.63 115.31 115.02 3m72 h LEU 97 Ca -0.02 0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.17 3m72 h LEU 97 Cb 0.18 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 3m72 h LEU 97 CO 0.03 0.08 0.57 0.22 0.09 0.00 0.00 178.44 179.43 3m72 h TYR 98 N 0.00 0.12 0.00 1.13 3.20 -1.08 0.31 116.97 120.65 3m72 h TYR 98 Ca -0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 3m72 h TYR 98 Cb 0.38 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.61 3m72 h TYR 98 CO 0.00 0.03 -0.05 0.07 -1.64 0.00 0.00 178.16 176.57 3m72 h ARG 99 N 0.09 0.00 0.00 1.82 0.11 -1.64 -3.27 114.38 111.49 3m72 h ARG 99 Ca 0.39 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 60.30 3m72 h ARG 99 Cb 1.43 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.47 3m72 h ARG 99 CO -0.04 0.05 -1.65 0.91 0.10 0.00 0.00 179.97 179.35 3m72 n TRP 100 N -3.23 0.00 -3.25 4.08 8.01 0.29 -4.97 117.44 118.37 3m72 n TRP 100 Ca -0.01 0.00 -0.10 0.00 -1.31 0.00 0.00 57.50 56.09 3m72 n TRP 100 Cb 0.27 -0.45 -0.05 0.00 -2.01 0.00 0.00 31.31 29.08 3m72 n TRP 100 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.69 177.89 3m72 s ASN 101 N -4.67 -0.05 0.61 -0.99 3.84 0.83 -5.02 114.94 109.48 3m72 s ASN 101 Ca -0.11 -1.39 0.33 0.00 0.21 0.00 0.00 52.86 51.90 3m72 s ASN 101 Cb 0.03 1.15 1.91 0.00 -0.55 0.00 0.00 41.25 43.80 3m72 s ASN 101 CO 0.32 -0.20 2.24 -0.65 -2.79 0.00 0.00 177.10 176.02 3m72 h PRO 102 N 6.76 0.00 -0.08 0.43 0.11 -1.77 -2.28 132.00 135.18 3m72 h PRO 102 Ca 0.06 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.11 3m72 h PRO 102 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3m72 h PRO 102 CO 0.15 0.00 -0.19 -0.07 -0.21 0.00 0.00 178.00 177.68 3m72 h LEU 103 N 0.00 0.30 -0.63 2.35 3.38 -1.94 -0.84 115.31 117.93 3m72 h LEU 103 Ca 0.02 -0.58 -0.09 0.00 0.09 0.00 0.00 57.88 57.31 3m72 h LEU 103 Cb 0.12 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3m72 h LEU 103 CO -0.00 0.83 0.04 0.40 0.09 0.00 0.00 178.44 179.80 3m72 h ILE 104 N -0.21 1.27 -0.38 1.22 2.04 -1.91 -2.39 117.51 117.14 3m72 h ILE 104 Ca -0.00 -1.12 0.03 0.00 1.00 0.00 0.00 64.86 64.77 3m72 h ILE 104 Cb 0.79 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 3m72 h ILE 104 CO 0.04 0.41 0.18 0.00 0.00 0.00 0.00 178.15 178.78 3m72 h ALA 105 N 1.01 0.47 -0.74 1.87 0.00 -1.38 -1.61 119.26 118.87 3m72 h ALA 105 Ca 0.18 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3m72 h ALA 105 Cb 0.52 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3m72 h ALA 105 CO 0.02 -0.19 0.30 1.49 0.00 0.00 0.00 179.25 180.88 3m72 h GLU 106 N 0.37 1.10 -0.24 0.00 4.81 -0.97 -0.27 114.58 119.39 3m72 h GLU 106 Ca 0.16 -0.19 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3m72 h GLU 106 Cb 0.08 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 3m72 h GLU 106 CO -0.12 0.89 0.10 0.28 -0.73 0.00 0.00 179.01 179.43 3m72 h VAL 107 N 1.08 0.97 -0.80 0.32 2.07 -1.00 -1.38 116.25 117.50 3m72 h VAL 107 Ca 0.25 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.66 3m72 h VAL 107 Cb 0.20 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 3m72 h VAL 107 CO -0.02 0.04 0.37 -0.07 0.02 0.00 0.00 177.57 177.91 3m72 h LEU 108 N 0.23 1.06 -0.51 2.57 3.38 -0.81 -1.24 115.31 119.99 3m72 h LEU 108 Ca 0.10 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3m72 h LEU 108 Cb 0.05 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3m72 h LEU 108 CO -0.09 0.90 0.12 0.40 0.09 0.00 0.00 178.44 179.87 3m72 h ILE 109 N 1.15 1.24 -0.35 1.22 2.04 -0.80 -0.44 117.51 121.57 3m72 h ILE 109 Ca 0.27 -0.85 -0.16 0.00 1.00 0.00 0.00 64.86 65.12 3m72 h ILE 109 Cb 0.14 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3m72 h ILE 109 CO -0.03 0.31 -0.40 -0.50 0.00 0.00 0.00 178.15 177.53 3m72 h TRP 110 N 0.71 1.03 -0.39 1.37 4.06 -1.04 -0.62 115.95 121.06 3m72 h TRP 110 Ca 0.16 -0.31 -0.00 0.00 2.06 0.00 0.00 58.89 60.80 3m72 h TRP 110 Cb 0.34 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 28.26 3m72 h TRP 110 CO 0.02 1.11 0.23 0.82 -3.56 0.00 0.00 178.44 177.06 3m72 h ILE 111 N 0.70 1.13 -0.38 1.49 2.04 -1.11 0.27 117.51 121.65 3m72 h ILE 111 Ca 0.06 -0.30 -0.09 0.00 1.00 0.00 0.00 64.86 65.52 3m72 h ILE 111 Cb 0.97 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 3m72 h ILE 111 CO 0.09 0.13 -0.16 1.23 0.00 0.00 0.00 178.15 179.45 3m72 h GLY 112 N 0.51 0.75 0.43 5.37 0.00 -0.98 -0.23 103.07 108.92 3m72 h GLY 112 Ca 0.14 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 3m72 h GLY 112 CO -0.03 0.53 -0.02 -0.84 0.00 0.00 0.00 176.54 176.19 3m72 h THR 113 N 0.62 1.47 -0.43 4.70 2.02 -0.83 -0.45 112.91 120.01 3m72 h THR 113 Ca 0.10 -1.40 -0.01 0.00 0.77 0.00 0.00 66.41 65.87 3m72 h THR 113 Cb 0.62 2.40 -0.02 0.00 -1.74 0.00 0.00 68.15 69.41 3m72 h THR 113 CO 0.04 0.37 0.24 0.40 0.37 0.00 0.00 175.52 176.94 3m72 h ILE 114 N -0.56 1.15 -0.25 3.11 2.04 -0.98 -1.78 117.51 120.26 3m72 h ILE 114 Ca -0.00 -0.39 0.03 0.00 1.00 0.00 0.00 64.86 65.50 3m72 h ILE 114 Cb 0.61 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 3m72 h ILE 114 CO 0.00 0.16 0.07 1.23 0.00 0.00 0.00 178.15 179.61 3m72 h GLY 115 N 0.57 0.29 1.15 5.37 0.00 -1.03 0.04 103.07 109.46 3m72 h GLY 115 Ca 0.15 -0.04 -0.12 0.00 0.00 0.00 0.00 47.33 47.33 3m72 h GLY 115 CO -0.03 0.01 -0.16 0.06 0.00 0.00 0.00 176.54 176.43 3m72 h GLN 116 N 0.17 0.99 -0.37 4.80 -0.00 -0.94 -0.26 115.11 119.51 3m72 h GLN 116 Ca 0.11 -0.39 -0.04 0.00 -0.00 0.00 0.00 58.65 58.33 3m72 h GLN 116 Cb 0.09 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 27.51 3m72 h GLN 116 CO -0.13 1.06 0.07 1.25 -0.00 0.00 0.00 178.83 181.08 3m72 h LEU 117 N 0.87 0.57 -0.63 0.06 5.85 -1.14 -0.70 115.31 120.18 3m72 h LEU 117 Ca 0.13 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 3m72 h LEU 117 Cb 0.72 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 3m72 h LEU 117 CO 0.06 0.68 0.33 0.25 -0.34 0.00 0.00 178.44 179.41 3m72 h LEU 118 N 0.44 0.80 -0.00 2.25 5.85 -0.88 -0.33 115.31 123.45 3m72 h LEU 118 Ca 0.11 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3m72 h LEU 118 Cb 0.34 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 3m72 h LEU 118 CO 0.01 0.69 0.00 0.15 -0.34 0.00 0.00 178.44 178.94 3m72 h PHE 119 N 0.86 0.00 -0.41 1.25 3.57 -0.69 -0.43 116.94 121.09 3m72 h PHE 119 Ca 0.22 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.57 3m72 h PHE 119 Cb 0.08 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 3m72 h PHE 119 CO -0.00 0.03 -0.32 1.03 -2.23 0.00 0.00 178.31 176.82 3m72 h SER 120 N -0.02 0.96 -0.78 0.41 0.87 -1.06 -0.20 113.55 113.72 3m72 h SER 120 Ca 0.00 -0.41 0.01 0.00 -1.23 0.00 0.00 61.79 60.16 3m72 h SER 120 Cb 0.03 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 61.68 3m72 h SER 120 CO -0.00 1.19 0.52 0.74 -0.53 0.00 0.00 176.83 178.75 3m72 h THR 121 N 0.77 1.19 -0.00 2.23 2.02 -0.86 0.07 112.91 118.33 3m72 h THR 121 Ca 0.08 -0.36 -0.03 0.00 0.77 0.00 0.00 66.41 66.87 3m72 h THR 121 Cb 0.89 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 3m72 h THR 121 CO 0.08 0.19 -0.13 -0.07 0.37 0.00 0.00 175.52 175.96 3m72 h LEU 122 N 1.05 0.12 0.01 2.58 3.38 -0.88 -3.38 115.31 118.20 3m72 h LEU 122 Ca 0.29 -0.76 -0.40 0.00 0.09 0.00 0.00 57.88 57.10 3m72 h LEU 122 Cb -0.10 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.54 3m72 h LEU 122 CO -0.07 0.87 -2.45 -1.14 0.09 0.00 0.00 178.44 175.74 3m72 n ARG 123 N -4.61 0.65 -0.16 1.13 3.00 -0.10 -3.49 116.66 113.07 3m72 n ARG 123 Ca -0.09 0.18 -0.10 0.00 -0.00 0.00 0.00 57.85 57.83 3m72 n ARG 123 Cb 0.44 -1.53 -0.00 0.00 0.00 0.00 0.00 32.46 31.37 3m72 n ARG 123 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 3m72 h VAL 124 N -0.15 1.26 -0.35 5.15 2.07 -1.14 -2.76 116.25 120.32 3m72 h VAL 124 Ca -0.59 -0.99 -0.10 0.00 0.82 0.00 0.00 66.70 65.84 3m72 h VAL 124 Cb 1.86 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.62 3m72 h VAL 124 CO -0.13 0.34 -0.20 0.77 0.02 0.00 0.00 177.57 178.38 3m72 h SER 125 N 0.64 0.67 -0.40 0.57 4.64 -1.72 -2.84 113.55 115.11 3m72 h SER 125 Ca 0.13 -0.22 0.09 0.00 -0.47 0.00 0.00 61.79 61.33 3m72 h SER 125 Cb 0.45 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 3m72 h SER 125 CO 0.02 0.86 0.28 -0.08 -0.87 0.00 0.00 176.83 177.04 3m72 h GLU 126 N 0.59 0.12 -0.49 4.77 4.81 -1.53 -0.60 114.58 122.26 3m72 h GLU 126 Ca 0.09 -0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.40 3m72 h GLU 126 Cb 0.66 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.99 3m72 h GLU 126 CO 0.05 0.08 0.34 -0.07 -0.73 0.00 0.00 179.01 178.67 3m72 h LEU 127 N 0.12 0.25 0.00 1.64 3.38 -1.38 -1.92 115.31 117.40 3m72 h LEU 127 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3m72 h LEU 127 Cb 0.58 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3m72 h LEU 127 CO -0.02 0.15 0.00 0.79 0.09 0.00 0.00 178.44 179.45 3m72 n TRP 128 N -4.46 0.00 0.50 1.13 7.02 -0.23 -1.74 117.44 119.66 3m72 n TRP 128 Ca 0.08 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.68 3m72 n TRP 128 Cb 0.36 -0.31 0.45 0.00 -2.42 0.00 0.00 31.31 29.40 3m72 n TRP 128 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 3m72 n GLN 129 N -1.31 0.23 0.00 -0.99 6.02 -0.72 -5.03 117.38 115.58 3m72 n GLN 129 Ca 0.05 0.33 0.00 0.00 -0.01 0.00 0.00 57.00 57.37 3m72 n GLN 129 Cb 0.10 -1.85 0.00 0.00 1.02 0.00 0.00 30.24 29.51 3m72 n GLN 129 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3m72 n GLY 130 N 0.61 -2.37 1.99 1.08 0.00 -0.71 -4.95 105.19 100.84 3m72 n GLY 130 Ca 0.04 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.58 3m72 n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m72 n GLY 131 N -1.84 1.48 0.74 -0.02 0.00 -1.26 -4.80 105.19 99.49 3m72 n GLY 131 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 3m72 n GLY 131 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3m72 n VAL 132 N -2.00 1.16 -1.73 1.61 0.31 -1.26 -4.98 118.33 111.43 3m72 n VAL 132 Ca 0.00 0.30 -0.42 0.00 -0.01 0.00 0.00 64.34 64.21 3m72 n VAL 132 Cb 0.00 -1.75 -0.01 0.00 -0.91 0.00 0.00 33.84 31.17 3m72 n VAL 132 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 3m72 n PHE 133 N -3.64 2.73 -4.55 3.52 7.35 -1.26 -4.88 117.46 116.73 3m72 n PHE 133 Ca -0.04 0.32 -0.26 0.00 -0.76 0.00 0.00 57.45 56.72 3m72 n PHE 133 Cb 0.14 -2.56 -0.10 0.00 0.35 0.00 0.00 39.48 37.31 3m72 n PHE 133 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 3m72 s GLU 134 N -0.76 1.85 0.27 -4.13 2.02 -1.26 -5.00 118.70 111.69 3m72 s GLU 134 Ca 0.63 -2.06 -0.00 0.00 0.02 0.00 0.00 54.97 53.56 3m72 s GLU 134 Cb -0.52 -1.23 0.54 0.00 0.10 0.00 0.00 34.13 33.02 3m72 s GLU 134 CO 0.51 -0.17 1.80 0.37 0.02 0.00 0.00 175.26 177.79 3m72 h GLN 135 N 1.87 0.78 0.00 1.61 5.75 -2.01 0.70 115.11 123.80 3m72 h GLN 135 Ca -0.42 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.03 3m72 h GLN 135 Cb 1.25 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 29.63 3m72 h GLN 135 CO 0.74 0.52 0.00 0.36 -2.65 0.00 0.00 178.83 177.79 3m72 n LYS 136 N -4.75 0.07 0.00 1.69 2.85 -1.26 -2.00 118.16 114.76 3m72 n LYS 136 Ca 0.18 0.26 0.15 0.00 -1.05 0.00 0.00 58.31 57.85 3m72 n LYS 136 Cb 0.39 -1.50 0.84 0.00 -0.65 0.00 0.00 35.03 34.11 3m72 n LYS 136 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 3m72 n SER 137 N -1.41 0.28 -4.54 -5.58 7.64 0.24 -4.72 113.62 105.53 3m72 n SER 137 Ca 0.04 -0.98 -0.43 0.00 1.01 0.00 0.00 58.87 58.51 3m72 n SER 137 Cb 0.11 -0.03 -0.01 0.00 -1.01 0.00 0.00 64.21 63.27 3m72 n SER 137 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3m72 s THR 138 N -2.08 4.27 0.15 0.44 2.01 -0.85 -4.75 115.64 114.84 3m72 s THR 138 Ca 0.43 -1.67 0.11 0.00 0.31 0.00 0.00 61.69 60.87 3m72 s THR 138 Cb 0.22 -5.07 -0.04 0.00 0.01 0.00 0.00 72.50 67.61 3m72 s THR 138 CO 0.38 -1.89 -0.23 -1.00 -0.69 0.00 0.00 174.62 171.19 3m72 s HIS 139 N 3.87 2.37 0.54 4.92 3.76 -1.26 -4.88 115.29 124.61 3m72 s HIS 139 Ca 0.48 -0.34 0.29 0.00 -0.15 0.00 0.00 55.06 55.34 3m72 s HIS 139 Cb 0.01 -1.23 1.46 0.00 1.11 0.00 0.00 32.58 33.92 3m72 s HIS 139 CO -0.00 0.41 1.93 -1.35 -0.85 0.00 0.00 174.74 174.87 3m72 h PRO 140 N 3.58 0.00 -0.01 8.40 0.11 -1.92 -1.92 132.00 140.24 3m72 h PRO 140 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3m72 h PRO 140 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3m72 h PRO 140 CO 0.44 0.00 0.01 0.66 -0.21 0.00 0.00 178.00 178.90 3m72 h SER 141 N 0.00 0.00 -0.36 -2.05 4.64 -1.94 -1.45 113.55 112.38 3m72 h SER 141 Ca 0.35 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.77 3m72 h SER 141 Cb 1.42 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.50 3m72 h SER 141 CO -0.00 0.00 0.28 0.15 -0.87 0.00 0.00 176.83 176.39 3m72 h PHE 142 N 0.00 0.00 -0.09 4.77 3.57 -1.68 -0.04 116.94 123.47 3m72 h PHE 142 Ca 0.00 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.53 3m72 h PHE 142 Cb 0.02 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 3m72 h PHE 142 CO 0.00 0.00 0.12 1.88 -2.23 0.00 0.00 178.31 178.08 3m72 h TYR 143 N 0.00 0.00 0.64 0.41 0.05 -1.48 -2.71 116.97 113.88 3m72 h TYR 143 Ca 0.17 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.92 3m72 h TYR 143 Cb 0.73 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.48 3m72 h TYR 143 CO 0.00 0.00 -0.31 -0.07 -1.05 0.00 0.00 178.16 176.73 3m72 h LEU 144 N 0.00 -0.73 -0.42 3.88 3.38 -1.20 0.69 115.31 120.92 3m72 h LEU 144 Ca 0.04 -0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.83 3m72 h LEU 144 Cb 0.29 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3m72 h LEU 144 CO -0.00 -0.42 -0.79 1.55 0.09 0.00 0.00 178.44 178.87 3m72 h PRO 145 N -1.02 0.00 0.00 1.13 0.13 -1.74 -1.67 132.00 128.83 3m72 h PRO 145 Ca -0.09 -0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.81 3m72 h PRO 145 Cb 0.70 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.79 3m72 h PRO 145 CO 0.14 0.79 -1.21 0.00 -0.23 0.00 0.00 178.00 177.49 3m72 h ALA 146 N 1.21 0.52 0.00 -0.56 0.00 -1.50 -3.40 119.26 115.53 3m72 h ALA 146 Ca -0.01 -1.06 0.00 0.00 0.00 0.00 0.00 54.91 53.84 3m72 h ALA 146 Cb 1.40 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.26 3m72 h ALA 146 CO 0.10 1.31 0.00 0.28 0.00 0.00 0.00 179.25 180.94 3m72 n VAL 147 N -3.22 0.54 -0.36 0.00 0.31 -0.38 -4.60 118.33 110.62 3m72 n VAL 147 Ca -0.06 0.18 -0.01 0.00 -0.01 0.00 0.00 64.34 64.44 3m72 n VAL 147 Cb 0.96 -0.98 0.12 0.00 -0.91 0.00 0.00 33.84 33.03 3m72 n VAL 147 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3m72 h ALA 148 N 0.00 1.25 -0.80 3.52 0.00 -0.94 -1.73 119.26 120.56 3m72 h ALA 148 Ca 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3m72 h ALA 148 Cb 0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.40 3m72 h ALA 148 CO 0.00 0.54 0.34 0.00 0.00 0.00 0.00 179.25 180.13 3m72 h ALA 149 N 1.38 1.09 -0.43 0.00 0.00 -1.52 -1.20 119.26 118.58 3m72 h ALA 149 Ca 0.37 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 3m72 h ALA 149 Cb -0.05 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 3m72 h ALA 149 CO -0.11 0.66 -0.12 -0.91 0.00 0.00 0.00 179.25 178.77 3m72 h ASN 150 N 1.15 0.86 -0.67 0.00 2.35 -1.65 -1.93 115.58 115.69 3m72 h ASN 150 Ca 0.27 -0.37 -0.05 0.00 -0.55 0.00 0.00 56.30 55.60 3m72 h ASN 150 Cb 0.19 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 3m72 h ASN 150 CO -0.03 1.03 0.24 -0.26 -1.65 0.00 0.00 177.43 176.77 3m72 h PHE 151 N 0.67 1.06 -0.48 1.19 0.04 -1.12 -0.84 116.94 117.47 3m72 h PHE 151 Ca 0.11 -0.09 -0.07 0.00 2.80 0.00 0.00 57.97 60.72 3m72 h PHE 151 Cb 0.66 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.48 3m72 h PHE 151 CO 0.05 0.83 0.02 1.15 -0.60 0.00 0.00 178.31 179.76 3m72 h THR 152 N 1.01 1.26 -0.67 -1.55 2.02 -1.11 -1.45 112.91 112.42 3m72 h THR 152 Ca 0.23 -1.02 0.03 0.00 0.77 0.00 0.00 66.41 66.42 3m72 h THR 152 Cb 0.24 0.98 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 3m72 h THR 152 CO -0.01 0.36 0.41 0.28 0.37 0.00 0.00 175.52 176.93 3m72 h SER 153 N 0.68 0.68 -0.12 4.18 0.02 -1.12 -0.81 113.55 117.06 3m72 h SER 153 Ca 0.14 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.12 3m72 h SER 153 Cb 0.47 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 3m72 h SER 153 CO 0.02 0.47 -0.09 0.00 -1.14 0.00 0.00 176.83 176.09 3m72 h ALA 154 N 1.29 0.00 -0.54 3.77 0.00 -0.63 0.12 119.26 123.27 3m72 h ALA 154 Ca 0.27 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 3m72 h ALA 154 Cb 0.03 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3m72 h ALA 154 CO -0.11 -0.54 0.18 1.03 0.00 0.00 0.00 179.25 179.81 3m72 h SER 155 N -0.10 0.77 -0.28 0.00 0.87 -1.10 -1.75 113.55 111.95 3m72 h SER 155 Ca 0.08 -0.19 -0.19 0.00 -1.23 0.00 0.00 61.79 60.26 3m72 h SER 155 Cb 0.21 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 3m72 h SER 155 CO -0.18 0.76 -0.55 0.28 -0.53 0.00 0.00 176.83 176.61 3m72 h SER 156 N 0.74 0.97 -0.68 6.23 0.02 -0.96 -1.68 113.55 118.19 3m72 h SER 156 Ca 0.17 -0.54 -0.03 0.00 -0.84 0.00 0.00 61.79 60.56 3m72 h SER 156 Cb 0.25 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 3m72 h SER 156 CO -0.01 1.33 0.31 -0.07 -1.14 0.00 0.00 176.83 177.24 3m72 h LEU 157 N 0.66 0.92 -0.78 5.07 3.38 -0.72 -2.64 115.31 121.20 3m72 h LEU 157 Ca 0.01 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3m72 h LEU 157 Cb 1.16 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.63 3m72 h LEU 157 CO 0.12 0.80 0.40 0.00 0.09 0.00 0.00 178.44 179.86 3m72 h ALA 158 N 1.33 1.00 -1.00 1.53 0.00 -1.10 0.28 119.26 121.30 3m72 h ALA 158 Ca 0.24 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.11 3m72 h ALA 158 Cb 0.15 -0.31 -0.08 0.00 0.00 0.00 0.00 17.79 17.56 3m72 h ALA 158 CO -0.03 0.53 0.64 1.25 0.00 0.00 0.00 179.25 181.65 3m72 h LEU 159 N 1.09 0.98 0.00 0.00 5.85 -0.97 -0.08 115.31 122.17 3m72 h LEU 159 Ca 0.27 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.02 3m72 h LEU 159 Cb 0.07 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.93 3m72 h LEU 159 CO -0.04 0.57 0.00 0.18 -0.34 0.00 0.00 178.44 178.81 3m72 n LEU 160 N -4.56 0.00 0.00 2.25 4.77 -0.84 -4.90 117.00 113.72 3m72 n LEU 160 Ca 0.17 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 3m72 n LEU 160 Cb 0.27 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3m72 n LEU 160 CO 0.30 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 3m72 n GLY 161 N 0.97 0.79 2.81 -0.72 0.00 -0.04 -5.00 105.19 103.99 3m72 n GLY 161 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3m72 n GLY 161 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3m72 n TYR 162 N -2.09 2.52 -0.19 1.61 4.01 0.03 -4.84 117.16 118.21 3m72 n TYR 162 Ca 0.00 -2.62 -0.08 0.00 -0.16 0.00 0.00 57.90 55.05 3m72 n TYR 162 Cb 0.00 -1.38 0.02 0.00 -0.31 0.00 0.00 39.34 37.67 3m72 n TYR 162 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3m72 h HIS 163 N 4.97 0.78 -0.31 -0.72 3.86 -1.84 -0.07 115.15 121.84 3m72 h HIS 163 Ca 0.39 -0.04 -0.17 0.00 -1.16 0.00 0.00 60.37 59.39 3m72 h HIS 163 Cb 0.48 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 28.71 3m72 h HIS 163 CO 1.22 0.61 -0.47 -0.44 0.86 0.00 0.00 177.93 179.71 3m72 h ASP 164 N 0.73 0.90 -0.85 2.45 3.32 -1.95 0.39 116.42 121.41 3m72 h ASP 164 Ca 0.18 -0.45 -0.02 0.00 0.02 0.00 0.00 57.03 56.76 3m72 h ASP 164 Cb 0.13 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.38 3m72 h ASP 164 CO -0.02 1.23 0.45 -0.07 -1.72 0.00 0.00 179.24 179.11 3m72 h LEU 165 N 0.66 1.08 -0.96 1.55 3.38 -1.95 -2.37 115.31 116.69 3m72 h LEU 165 Ca 0.03 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 57.96 3m72 h LEU 165 Cb 1.06 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.47 3m72 h LEU 165 CO 0.11 0.87 0.62 1.23 0.09 0.00 0.00 178.44 181.36 3m72 h GLY 166 N 1.21 1.45 1.46 0.83 0.00 -0.24 -1.66 103.07 106.13 3m72 h GLY 166 Ca 0.30 -0.45 0.02 0.00 0.00 0.00 0.00 47.33 47.19 3m72 h GLY 166 CO -0.05 0.33 0.33 -0.97 0.00 0.00 0.00 176.54 176.18 3m72 h TYR 167 N 1.13 0.58 -0.15 5.60 -1.99 -0.42 0.11 116.97 121.83 3m72 h TYR 167 Ca 0.41 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 61.15 3m72 h TYR 167 Cb 0.14 -0.19 -0.01 0.00 2.00 0.00 0.00 36.73 38.67 3m72 h TYR 167 CO -0.01 0.35 0.06 -0.07 -0.00 0.00 0.00 178.16 178.49 3m72 h LEU 168 N 0.61 0.21 -0.77 3.88 3.38 -1.07 -0.32 115.31 121.23 3m72 h LEU 168 Ca 0.19 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 3m72 h LEU 168 Cb 0.01 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3m72 h LEU 168 CO -0.05 0.33 0.09 -0.26 0.09 0.00 0.00 178.44 178.65 3m72 h PHE 169 N 0.08 1.08 -0.38 1.13 0.04 -1.21 -1.71 116.94 115.97 3m72 h PHE 169 Ca 0.05 -0.14 0.02 0.00 2.80 0.00 0.00 57.97 60.70 3m72 h PHE 169 Cb 0.19 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 38.01 3m72 h PHE 169 CO -0.01 0.92 0.20 0.35 -0.60 0.00 0.00 178.31 179.17 3m72 h PHE 170 N 0.96 0.37 -0.71 -0.55 3.57 -0.57 -1.32 116.94 118.69 3m72 h PHE 170 Ca 0.19 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 3m72 h PHE 170 Cb 0.43 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 3m72 h PHE 170 CO 0.03 0.20 0.25 0.78 -2.23 0.00 0.00 178.31 177.35 3m72 h GLY 171 N 0.41 1.17 0.83 2.40 0.00 -0.81 0.64 103.07 107.70 3m72 h GLY 171 Ca 0.16 -0.66 0.03 0.00 0.00 0.00 0.00 47.33 46.85 3m72 h GLY 171 CO -0.10 0.62 0.28 0.00 0.00 0.00 0.00 176.54 177.34 3m72 h ALA 172 N 1.12 0.62 -0.39 3.60 0.00 -1.04 -1.46 119.26 121.71 3m72 h ALA 172 Ca 0.23 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 3m72 h ALA 172 Cb 0.26 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3m72 h ALA 172 CO -0.01 -0.04 -0.27 0.78 0.00 0.00 0.00 179.25 179.70 3m72 h GLY 173 N 0.55 0.95 0.68 0.00 0.00 -0.80 -1.42 103.07 103.03 3m72 h GLY 173 Ca 0.20 -0.91 -0.03 0.00 0.00 0.00 0.00 47.33 46.59 3m72 h GLY 173 CO -0.11 0.82 -0.07 1.98 0.00 0.00 0.00 176.54 179.16 3m72 h MET 174 N 0.69 0.22 -0.44 4.80 -1.53 -0.69 -1.53 114.93 116.45 3m72 h MET 174 Ca 0.08 -0.11 -0.14 0.00 -3.44 0.00 0.00 59.70 56.10 3m72 h MET 174 Cb 0.84 -0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.88 3m72 h MET 174 CO 0.07 0.61 -0.26 0.82 0.14 0.00 0.00 176.91 178.29 3m72 h ILE 175 N -0.16 1.27 -0.82 1.77 2.04 -1.35 -2.45 117.51 117.82 3m72 h ILE 175 Ca 0.02 -1.42 0.09 0.00 1.00 0.00 0.00 64.86 64.55 3m72 h ILE 175 Cb 0.55 1.21 -0.06 0.00 -0.74 0.00 0.00 36.82 37.78 3m72 h ILE 175 CO 0.02 0.48 0.53 0.00 0.00 0.00 0.00 178.15 179.18 3m72 h ALA 176 N 0.90 1.70 0.34 1.87 0.00 -1.19 -0.88 119.26 122.00 3m72 h ALA 176 Ca 0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3m72 h ALA 176 Cb 0.83 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3m72 h ALA 176 CO 0.07 0.14 -0.16 2.35 0.00 0.00 0.00 179.25 181.65 3m72 h TRP 177 N 0.80 -0.42 0.00 0.00 7.01 -0.99 -1.94 115.95 120.41 3m72 h TRP 177 Ca 0.37 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.32 3m72 h TRP 177 Cb 0.39 0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.58 3m72 h TRP 177 CO -0.00 -0.15 -0.17 0.82 -2.79 0.00 0.00 178.44 176.14 3m72 h ILE 178 N -0.64 0.75 0.00 2.65 1.08 -1.13 -0.40 117.51 119.83 3m72 h ILE 178 Ca -0.05 -0.70 -0.16 0.00 -0.39 0.00 0.00 64.86 63.56 3m72 h ILE 178 Cb 0.46 1.43 -0.02 0.00 -3.07 0.00 0.00 36.82 35.61 3m72 h ILE 178 CO 0.08 0.17 -0.79 0.40 -0.69 0.00 0.00 178.15 177.31 3m72 h ILE 179 N 0.00 1.17 0.12 -0.67 2.04 -1.06 -3.38 117.51 115.74 3m72 h ILE 179 Ca -0.00 -2.69 -0.37 0.00 1.00 0.00 0.00 64.86 62.80 3m72 h ILE 179 Cb 0.41 2.57 -0.02 0.00 -0.74 0.00 0.00 36.82 39.04 3m72 h ILE 179 CO 0.02 0.67 -2.00 0.33 0.00 0.00 0.00 178.15 177.17 3m72 n PHE 180 N -3.25 1.25 -0.29 1.37 7.35 -0.74 -4.50 117.46 118.65 3m72 n PHE 180 Ca -0.00 0.26 0.13 0.00 -0.76 0.00 0.00 57.45 57.08 3m72 n PHE 180 Cb 0.83 -1.16 0.37 0.00 0.35 0.00 0.00 39.48 39.87 3m72 n PHE 180 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 3m72 h GLU 181 N 0.07 0.67 -0.50 -4.13 4.81 -1.26 -2.08 114.58 112.17 3m72 h GLU 181 Ca -0.43 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 58.82 3m72 h GLU 181 Cb 2.03 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 31.21 3m72 h GLU 181 CO 0.09 0.45 0.22 -1.35 -0.73 0.00 0.00 179.01 177.69 3m72 h PRO 182 N 0.69 0.42 0.00 0.92 0.11 -1.79 -0.55 132.00 131.81 3m72 h PRO 182 Ca 0.48 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 66.43 3m72 h PRO 182 Cb 0.81 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.80 3m72 h PRO 182 CO -0.24 0.28 -0.67 -0.39 -0.21 0.00 0.00 178.00 176.77 3m72 h VAL 183 N 0.44 1.47 -0.03 3.15 -1.51 -1.66 -2.62 116.25 115.48 3m72 h VAL 183 Ca 0.23 -2.30 -0.00 0.00 -1.23 0.00 0.00 66.70 63.40 3m72 h VAL 183 Cb 0.19 2.24 -0.00 0.00 -2.13 0.00 0.00 31.29 31.59 3m72 h VAL 183 CO -0.19 0.65 0.01 0.25 -1.23 0.00 0.00 177.57 177.06 3m72 h LEU 184 N 0.00 0.05 -0.81 4.19 5.85 -0.95 -1.64 115.31 122.00 3m72 h LEU 184 Ca -0.01 -0.23 -0.11 0.00 0.84 0.00 0.00 57.88 58.37 3m72 h LEU 184 Cb 1.19 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 3m72 h LEU 184 CO 0.09 0.26 -0.34 -0.07 -0.34 0.00 0.00 178.44 178.04 3m72 h LEU 185 N -0.17 0.52 -0.67 2.25 3.38 -1.14 -0.29 115.31 119.20 3m72 h LEU 185 Ca 0.01 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 3m72 h LEU 185 Cb 0.23 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3m72 h LEU 185 CO 0.00 0.82 0.37 -0.61 0.09 0.00 0.00 178.44 179.11 3m72 h GLN 186 N 0.43 0.93 -0.44 1.13 5.75 -1.47 -0.78 115.11 120.66 3m72 h GLN 186 Ca 0.05 -0.11 -0.02 0.00 -0.15 0.00 0.00 58.65 58.42 3m72 h GLN 186 Cb 0.79 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 29.14 3m72 h GLN 186 CO 0.06 0.70 0.20 1.25 -2.65 0.00 0.00 178.83 178.40 3m72 h HIS 187 N 0.92 0.64 -0.84 3.99 2.76 -0.83 -2.02 115.15 119.77 3m72 h HIS 187 Ca 0.24 -0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.36 3m72 h HIS 187 Cb 0.04 -0.20 -0.04 0.00 1.55 0.00 0.00 27.41 28.76 3m72 h HIS 187 CO -0.01 0.53 0.48 -0.07 -1.30 0.00 0.00 177.93 177.56 3m72 h LEU 188 N 0.57 1.03 -0.88 0.26 3.38 -0.88 0.18 115.31 118.97 3m72 h LEU 188 Ca 0.15 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3m72 h LEU 188 Cb 0.13 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 3m72 h LEU 188 CO -0.02 0.82 0.55 0.03 0.09 0.00 0.00 178.44 179.91 3m72 h ARG 189 N 1.17 1.19 0.07 1.13 3.08 -0.79 -2.03 114.38 118.18 3m72 h ARG 189 Ca 0.30 -0.10 -0.23 0.00 0.07 0.00 0.00 59.98 60.02 3m72 h ARG 189 Cb -0.00 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.78 3m72 h ARG 189 CO -0.05 0.82 -1.23 0.82 -1.07 0.00 0.00 179.97 179.26 3m72 h ILE 190 N 1.21 1.06 0.00 2.04 2.04 -1.00 -3.43 117.51 119.43 3m72 h ILE 190 Ca 0.32 -2.32 -0.00 0.00 1.00 0.00 0.00 64.86 63.86 3m72 h ILE 190 Cb -0.08 2.63 -0.00 0.00 -0.74 0.00 0.00 36.82 38.63 3m72 h ILE 190 CO -0.06 0.58 -1.00 -1.20 0.00 0.00 0.00 178.15 176.47 3m72 n SER 191 N -4.14 4.82 0.00 1.72 7.64 0.49 -5.11 113.62 119.05 3m72 n SER 191 Ca -0.26 -0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.62 3m72 n SER 191 Cb 0.79 0.42 0.00 0.00 -1.01 0.00 0.00 64.21 64.41 3m72 n SER 191 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3m72 n SER 192 N -2.09 0.00 -4.00 6.43 2.88 -0.38 -4.82 113.62 111.64 3m72 n SER 192 Ca -0.00 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.34 3m72 n SER 192 Cb 0.50 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.81 3m72 n SER 192 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 3m72 s LEU 193 N 0.00 1.80 0.68 2.46 2.96 -1.26 -4.78 118.68 120.54 3m72 s LEU 193 Ca 0.00 -0.19 -0.16 0.00 -0.22 0.00 0.00 54.13 53.56 3m72 s LEU 193 Cb 0.00 -0.56 0.01 0.00 0.50 0.00 0.00 46.19 46.15 3m72 s LEU 193 CO 0.00 0.07 1.18 -1.61 -1.32 0.00 0.00 176.35 174.67 3m72 s GLU 194 N 0.18 2.50 0.32 1.98 8.01 -1.26 -4.83 118.70 125.59 3m72 s GLU 194 Ca -0.03 1.67 0.07 0.00 0.01 0.00 0.00 54.97 56.70 3m72 s GLU 194 Cb -0.08 -1.89 0.78 0.00 -4.31 0.00 0.00 34.13 28.63 3m72 s GLU 194 CO 0.00 -1.54 1.78 -1.35 0.01 0.00 0.00 175.26 174.16 3m72 h PRO 195 N 0.05 0.70 0.00 0.39 0.11 -1.96 -0.05 132.00 131.24 3m72 h PRO 195 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3m72 h PRO 195 Cb 1.28 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3m72 h PRO 195 CO 0.52 0.46 0.00 -0.56 -0.21 0.00 0.00 178.00 178.21 3m72 h GLN 196 N 0.72 0.00 -0.01 1.05 -0.00 -1.96 -1.92 115.11 113.00 3m72 h GLN 196 Ca 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.23 3m72 h GLN 196 Cb 0.95 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.43 3m72 h GLN 196 CO -0.37 0.00 -0.51 1.19 -0.00 0.00 0.00 178.83 179.15 3m72 n PHE 197 N -2.51 0.00 0.21 0.06 3.72 -0.04 -4.69 117.46 114.22 3m72 n PHE 197 Ca -0.00 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.46 3m72 n PHE 197 Cb 0.13 0.00 0.48 0.00 -0.94 0.00 0.00 39.48 39.16 3m72 n PHE 197 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3m72 h ARG 198 N 1.25 0.00 -0.04 -1.08 3.08 -1.26 -1.22 114.38 115.11 3m72 h ARG 198 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.06 3m72 h ARG 198 Cb 0.52 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.57 3m72 h ARG 198 CO 0.00 0.27 0.03 0.00 -1.07 0.00 0.00 179.97 179.21 3m72 h ALA 199 N 1.73 1.95 0.00 0.04 0.00 -1.79 0.28 119.26 121.48 3m72 h ALA 199 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3m72 h ALA 199 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3m72 h ALA 199 CO 0.04 -0.06 0.00 0.25 0.00 0.00 0.00 179.25 179.48 3m72 n THR 200 N -4.40 0.80 0.19 0.00 -2.24 -0.46 -1.91 114.28 106.27 3m72 n THR 200 Ca -0.02 0.20 0.17 0.00 -2.27 0.00 0.00 64.05 62.13 3m72 n THR 200 Cb 0.13 -0.97 0.81 0.00 -2.10 0.00 0.00 70.33 68.20 3m72 n THR 200 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 3m72 h MET 201 N 0.00 0.00 -0.46 -0.78 2.07 -1.07 -0.34 114.93 114.35 3m72 h MET 201 Ca 0.00 0.00 0.13 0.00 -2.07 0.00 0.00 59.70 57.76 3m72 h MET 201 Cb 0.17 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 29.88 3m72 h MET 201 CO 0.00 0.00 0.33 0.78 1.07 0.00 0.00 176.91 179.09 3m72 h GLY 202 N 0.00 0.03 2.00 8.32 0.00 -1.59 -0.40 103.07 111.43 3m72 h GLY 202 Ca 0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 3m72 h GLY 202 CO -0.00 0.00 -0.11 -2.22 0.00 0.00 0.00 176.54 174.21 3m72 h ILE 203 N 0.02 0.38 0.00 2.60 2.04 -1.21 -2.01 117.51 119.33 3m72 h ILE 203 Ca 0.22 -0.66 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 3m72 h ILE 203 Cb 0.84 1.48 -0.00 0.00 -0.74 0.00 0.00 36.82 38.40 3m72 h ILE 203 CO -0.01 0.11 -0.08 0.58 0.00 0.00 0.00 178.15 178.76 3m72 h VAL 204 N 0.00 0.80 0.00 1.67 2.07 -1.20 -1.11 116.25 118.48 3m72 h VAL 204 Ca -0.00 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.23 3m72 h VAL 204 Cb 0.47 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 3m72 h VAL 204 CO 0.01 0.07 0.00 0.25 0.02 0.00 0.00 177.57 177.93 3m72 h LEU 205 N 0.00 0.00 -0.06 2.57 5.85 -1.48 -3.35 115.31 118.84 3m72 h LEU 205 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3m72 h LEU 205 Cb 0.16 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 3m72 h LEU 205 CO 0.01 0.00 -0.00 0.00 -0.34 0.00 0.00 178.44 178.11 3m72 h ALA 206 N 2.13 0.08 -0.27 1.25 0.00 -1.29 -3.31 119.26 117.85 3m72 h ALA 206 Ca 0.00 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.80 3m72 h ALA 206 Cb 0.69 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 3m72 h ALA 206 CO 0.00 -0.25 -0.10 -1.35 0.00 0.00 0.00 179.25 177.56 3m72 h PRO 207 N -0.18 -0.04 -0.55 0.00 0.11 -1.72 0.19 132.00 129.81 3m72 h PRO 207 Ca 0.02 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.02 3m72 h PRO 207 Cb 0.33 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.44 3m72 h PRO 207 CO 0.00 -0.03 -0.09 -1.00 -0.21 0.00 0.00 178.00 176.68 3m72 h PRO 208 N -0.04 1.01 0.15 1.05 0.13 -1.84 0.56 132.00 133.02 3m72 h PRO 208 Ca 0.14 -0.36 -0.29 0.00 -0.87 0.00 0.00 66.00 64.62 3m72 h PRO 208 Cb 0.25 -0.07 0.01 0.00 0.13 0.00 0.00 31.00 31.32 3m72 h PRO 208 CO -0.30 1.04 -1.27 0.74 -0.23 0.00 0.00 178.00 177.97 3m72 h PHE 209 N 0.90 0.63 -0.24 1.56 0.04 -1.57 -1.92 116.94 116.34 3m72 h PHE 209 Ca 0.15 -0.45 -0.14 0.00 2.80 0.00 0.00 57.97 60.33 3m72 h PHE 209 Cb 0.64 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.75 3m72 h PHE 209 CO 0.04 1.34 -0.42 0.28 -0.60 0.00 0.00 178.31 178.96 3m72 h VAL 210 N 0.11 1.30 0.22 -0.55 2.07 -0.63 -1.11 116.25 117.66 3m72 h VAL 210 Ca -0.16 -1.59 -0.00 0.00 0.82 0.00 0.00 66.70 65.77 3m72 h VAL 210 Cb 1.99 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 33.32 3m72 h VAL 210 CO 0.22 0.50 -0.17 0.00 0.02 0.00 0.00 177.57 178.14 3m72 h VAL 212 N -0.40 1.26 -0.23 0.00 3.04 -1.26 0.10 116.25 118.77 3m72 h VAL 212 Ca -0.01 -1.26 -0.00 0.00 -1.01 0.00 0.00 66.70 64.42 3m72 h VAL 212 Cb 0.35 1.17 -0.01 0.00 -2.01 0.00 0.00 31.29 30.79 3m72 h VAL 212 CO -0.01 0.42 0.14 -1.28 -1.01 0.00 0.00 177.57 175.83 3m72 h SER 213 N 0.64 0.27 -0.60 3.17 0.87 -1.05 -0.85 113.55 116.01 3m72 h SER 213 Ca 0.10 -0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.56 3m72 h SER 213 Cb 0.66 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.53 3m72 h SER 213 CO 0.05 0.24 0.15 0.00 -0.53 0.00 0.00 176.83 176.73 3m72 h ALA 214 N 1.05 0.79 -0.30 6.23 0.00 -0.65 -1.73 119.26 124.64 3m72 h ALA 214 Ca 0.08 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.80 3m72 h ALA 214 Cb 0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3m72 h ALA 214 CO -0.02 0.49 0.12 -0.92 0.00 0.00 0.00 179.25 178.92 3m72 h TYR 215 N 0.86 0.21 0.00 0.00 3.20 -0.56 -1.09 116.97 119.59 3m72 h TYR 215 Ca 0.19 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.01 3m72 h TYR 215 Cb 0.35 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 3m72 h TYR 215 CO 0.02 0.10 -0.28 -0.07 -1.64 0.00 0.00 178.16 176.30 3m72 h LEU 216 N 0.26 0.00 -0.56 2.82 3.38 -1.02 0.05 115.31 120.24 3m72 h LEU 216 Ca 0.13 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.96 3m72 h LEU 216 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3m72 h LEU 216 CO -0.13 0.28 -0.43 0.28 0.09 0.00 0.00 178.44 178.53 3m72 h SER 217 N 0.00 0.72 1.24 -0.43 0.02 -0.54 0.14 113.55 114.70 3m72 h SER 217 Ca -0.00 -0.34 -0.07 0.00 -0.84 0.00 0.00 61.79 60.54 3m72 h SER 217 Cb 0.58 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 3m72 h SER 217 CO 0.04 1.06 -0.79 0.16 -1.14 0.00 0.00 176.83 176.15 3m72 h ILE 218 N 0.54 0.31 -0.58 3.27 3.07 -0.55 -3.33 117.51 120.23 3m72 h ILE 218 Ca 0.04 -1.51 -0.18 0.00 1.55 0.00 0.00 64.86 64.76 3m72 h ILE 218 Cb 0.97 1.94 -0.11 0.00 -0.27 0.00 0.00 36.82 39.35 3m72 h ILE 218 CO 0.09 0.18 0.17 -0.46 -1.05 0.00 0.00 178.15 177.08 3m72 n ASN 219 N -2.94 4.19 -1.20 2.16 6.94 -0.06 -4.92 115.26 119.43 3m72 n ASN 219 Ca -0.01 -3.30 -0.13 0.00 -0.02 0.00 0.00 54.58 51.12 3m72 n ASN 219 Cb 0.66 -0.69 -0.03 0.00 -2.36 0.00 0.00 39.78 37.36 3m72 n ASN 219 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 3m72 n HIS 220 N -0.45 -0.28 -1.04 -2.53 8.25 -1.20 -2.98 115.22 114.99 3m72 n HIS 220 Ca 0.36 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.81 3m72 n HIS 220 Cb 1.24 -2.55 -0.01 0.00 1.12 0.00 0.00 29.99 29.79 3m72 n HIS 220 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3m72 n GLY 221 N -1.23 0.51 3.63 -1.41 0.00 0.47 -4.99 105.19 102.17 3m72 n GLY 221 Ca -0.14 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 44.70 3m72 n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3m72 s GLU 222 N -1.69 3.95 -0.70 1.61 2.12 -1.16 -4.84 118.70 117.99 3m72 s GLU 222 Ca 0.00 1.00 -0.24 0.00 0.36 0.00 0.00 54.97 56.10 3m72 s GLU 222 Cb 0.00 -3.81 0.06 0.00 0.26 0.00 0.00 34.13 30.64 3m72 s GLU 222 CO 0.00 -1.06 1.06 0.08 -0.54 0.00 0.00 175.26 174.80 3m72 s VAL 223 N 4.01 4.18 0.00 3.70 1.01 -1.26 -4.90 120.40 127.13 3m72 s VAL 223 Ca 0.49 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.24 3m72 s VAL 223 Cb -0.12 -4.76 0.00 0.00 0.00 0.00 0.00 36.38 31.50 3m72 s VAL 223 CO 0.21 -1.57 0.00 -0.90 0.00 0.00 0.00 175.10 172.83 3m72 n ASP 224 N 8.11 1.57 -0.13 3.32 5.68 -1.26 -4.95 116.55 128.89 3m72 n ASP 224 Ca -0.00 -0.87 -0.08 0.00 -0.50 0.00 0.00 54.79 53.33 3m72 n ASP 224 Cb 0.47 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 3m72 n ASP 224 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 3m72 h THR 225 N 0.69 1.12 -0.58 2.12 2.02 -2.00 -1.97 112.91 114.31 3m72 h THR 225 Ca 0.00 -0.27 0.07 0.00 0.77 0.00 0.00 66.41 66.98 3m72 h THR 225 Cb 0.00 0.56 -0.06 0.00 -1.74 0.00 0.00 68.15 66.91 3m72 h THR 225 CO 0.00 0.12 0.26 0.25 0.37 0.00 0.00 175.52 176.52 3m72 h LEU 226 N 0.55 0.32 -0.69 2.58 5.85 -1.97 -0.63 115.31 121.32 3m72 h LEU 226 Ca 0.15 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 3m72 h LEU 226 Cb -0.02 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 3m72 h LEU 226 CO -0.03 0.21 0.39 0.00 -0.34 0.00 0.00 178.44 178.67 3m72 h ALA 227 N 1.36 0.89 -0.51 1.25 0.00 -1.80 -1.17 119.26 119.27 3m72 h ALA 227 Ca 0.28 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 3m72 h ALA 227 Cb 0.27 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3m72 h ALA 227 CO -0.24 0.39 -0.05 0.87 0.00 0.00 0.00 179.25 180.22 3m72 h LYS 228 N 0.95 0.91 -0.44 0.00 1.57 -0.95 -1.74 116.57 116.86 3m72 h LYS 228 Ca 0.25 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3m72 h LYS 228 Cb 0.02 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 3m72 h LYS 228 CO -0.04 0.94 0.27 0.82 -0.57 0.00 0.00 179.45 180.86 3m72 h ILE 229 N 0.83 1.14 -0.51 1.86 2.04 -0.65 -1.47 117.51 120.75 3m72 h ILE 229 Ca 0.15 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 3m72 h ILE 229 Cb 0.57 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 3m72 h ILE 229 CO 0.03 0.14 0.20 -0.07 0.00 0.00 0.00 178.15 178.45 3m72 h LEU 230 N 0.58 0.71 -0.95 1.44 3.38 -1.07 -2.19 115.31 117.21 3m72 h LEU 230 Ca 0.16 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 58.00 3m72 h LEU 230 Cb -0.01 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.50 3m72 h LEU 230 CO -0.03 0.68 0.62 -0.50 0.09 0.00 0.00 178.44 179.30 3m72 h TRP 231 N 0.69 1.16 -0.04 1.13 4.06 -1.03 -0.37 115.95 121.54 3m72 h TRP 231 Ca 0.17 0.03 -0.00 0.00 2.06 0.00 0.00 58.89 61.15 3m72 h TRP 231 Cb 0.20 -0.39 -0.00 0.00 -1.00 0.00 0.00 29.16 27.97 3m72 h TRP 231 CO 0.01 0.66 0.02 0.78 -3.56 0.00 0.00 178.44 176.35 3m72 h GLY 232 N 1.19 0.06 1.21 1.49 0.00 -0.68 0.71 103.07 107.06 3m72 h GLY 232 Ca 0.38 -0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.63 3m72 h GLY 232 CO -0.12 0.03 0.19 -1.82 0.00 0.00 0.00 176.54 174.82 3m72 h TYR 233 N -0.04 1.02 -0.52 5.60 3.20 -1.26 -1.89 116.97 123.07 3m72 h TYR 233 Ca 0.01 -0.09 0.07 0.00 3.14 0.00 0.00 58.73 61.86 3m72 h TYR 233 Cb 0.10 -0.30 -0.06 0.00 1.54 0.00 0.00 36.73 38.02 3m72 h TYR 233 CO -0.04 0.82 0.21 0.78 -1.64 0.00 0.00 178.16 178.29 3m72 h GLY 234 N 1.05 0.71 1.27 1.82 0.00 -0.63 -1.20 103.07 106.09 3m72 h GLY 234 Ca 0.21 -0.13 -0.12 0.00 0.00 0.00 0.00 47.33 47.30 3m72 h GLY 234 CO -0.01 0.03 -0.22 0.74 0.00 0.00 0.00 176.54 177.09 3m72 h PHE 235 N 0.41 0.95 -0.35 5.60 0.04 -0.62 0.24 116.94 123.21 3m72 h PHE 235 Ca 0.25 -0.22 0.07 0.00 2.80 0.00 0.00 57.97 60.87 3m72 h PHE 235 Cb 0.24 -0.23 -0.07 0.00 2.20 0.00 0.00 35.95 38.10 3m72 h PHE 235 CO -0.14 0.97 -0.09 1.25 -0.60 0.00 0.00 178.31 179.70 3m72 h LEU 236 N 0.72 -0.34 -0.96 1.54 5.85 -0.96 -0.19 115.31 120.98 3m72 h LEU 236 Ca 0.10 0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.85 3m72 h LEU 236 Cb 0.75 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 3m72 h LEU 236 CO 0.06 -0.12 -0.03 1.56 -0.34 0.00 0.00 178.44 179.57 3m72 h GLN 237 N -0.01 0.73 -0.29 1.25 1.08 -0.85 -0.60 115.11 116.42 3m72 h GLN 237 Ca 0.17 -0.20 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 3m72 h GLN 237 Cb 0.26 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 3m72 h GLN 237 CO -0.36 0.76 0.19 1.25 -0.95 0.00 0.00 178.83 179.72 3m72 h LEU 238 N 0.68 0.33 -0.57 1.46 5.85 -0.48 -0.60 115.31 121.98 3m72 h LEU 238 Ca 0.13 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 3m72 h LEU 238 Cb 0.46 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 3m72 h LEU 238 CO 0.02 0.25 0.28 -0.26 -0.34 0.00 0.00 178.44 178.39 3m72 h PHE 239 N 0.39 0.82 -0.47 1.25 0.04 -0.67 -0.03 116.94 118.27 3m72 h PHE 239 Ca 0.11 -0.04 0.04 0.00 2.80 0.00 0.00 57.97 60.87 3m72 h PHE 239 Cb -0.04 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 37.82 3m72 h PHE 239 CO -0.06 0.63 0.25 0.74 -0.60 0.00 0.00 178.31 179.27 3m72 h PHE 240 N 0.78 0.46 -0.20 -0.55 -1.00 -0.87 -1.45 116.94 114.11 3m72 h PHE 240 Ca 0.20 0.02 -0.13 0.00 2.81 0.00 0.00 57.97 60.87 3m72 h PHE 240 Cb 0.11 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 39.53 3m72 h PHE 240 CO -0.00 0.24 -0.41 -0.07 -1.61 0.00 0.00 178.31 176.45 3m72 h LEU 241 N 0.49 0.50 -0.43 1.54 3.38 -0.75 -1.17 115.31 118.87 3m72 h LEU 241 Ca 0.20 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3m72 h LEU 241 Cb 0.09 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3m72 h LEU 241 CO -0.13 0.85 0.26 -0.07 0.09 0.00 0.00 178.44 179.45 3m72 h LEU 242 N 0.39 0.51 -1.05 1.67 3.38 -0.75 -1.20 115.31 118.25 3m72 h LEU 242 Ca 0.03 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3m72 h LEU 242 Cb 0.89 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 3m72 h LEU 242 CO 0.08 0.40 0.13 -0.09 0.09 0.00 0.00 178.44 179.04 3m72 h ARG 243 N 0.57 0.80 0.00 1.13 1.12 -0.89 -2.34 114.38 114.78 3m72 h ARG 243 Ca 0.15 -0.16 0.00 0.00 -1.11 0.00 0.00 59.98 58.86 3m72 h ARG 243 Cb -0.02 -0.12 0.00 0.00 -0.01 0.00 0.00 29.97 29.82 3m72 h ARG 243 CO -0.03 0.73 0.00 1.28 -3.11 0.00 0.00 179.97 178.84 3m72 n LEU 244 N -4.28 0.00 -0.19 3.80 4.77 -0.47 -4.33 117.00 116.30 3m72 n LEU 244 Ca 0.04 0.28 -0.07 0.00 -0.03 0.00 0.00 56.01 56.23 3m72 n LEU 244 Cb 0.22 -0.28 0.03 0.00 -2.33 0.00 0.00 43.42 41.06 3m72 n LEU 244 CO 0.40 -0.01 1.10 0.15 -1.33 0.00 0.00 177.39 177.70 3m72 h PHE 245 N 0.00 0.68 -0.65 -1.77 3.57 -0.65 0.13 116.94 118.26 3m72 h PHE 245 Ca 0.00 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.57 3m72 h PHE 245 Cb 0.27 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.74 3m72 h PHE 245 CO 0.00 0.43 0.43 -1.35 -2.23 0.00 0.00 178.31 175.59 3m72 h PRO 246 N 0.74 0.66 -0.29 6.41 0.11 -1.81 -0.99 132.00 136.83 3m72 h PRO 246 Ca 0.20 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.14 3m72 h PRO 246 Cb -0.09 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 30.87 3m72 h PRO 246 CO -0.04 0.43 -0.32 2.35 -0.21 0.00 0.00 178.00 180.21 3m72 h TRP 247 N 0.68 0.88 -1.00 0.65 7.01 -1.61 -2.19 115.95 120.36 3m72 h TRP 247 Ca 0.28 -0.27 0.12 0.00 2.11 0.00 0.00 58.89 61.13 3m72 h TRP 247 Cb 0.24 -0.18 -0.09 0.00 -2.10 0.00 0.00 29.16 27.03 3m72 h TRP 247 CO -0.00 1.03 0.63 0.82 -2.79 0.00 0.00 178.44 178.13 3m72 h ILE 248 N 0.47 0.91 -0.61 2.65 2.04 -0.00 -2.44 117.51 120.53 3m72 h ILE 248 Ca 0.04 -0.34 -0.27 0.00 1.00 0.00 0.00 64.86 65.29 3m72 h ILE 248 Cb 0.90 -0.16 -0.16 0.00 -0.74 0.00 0.00 36.82 36.66 3m72 h ILE 248 CO 0.08 0.18 0.22 1.33 0.00 0.00 0.00 178.15 179.95 3m72 n VAL 249 N -4.62 2.80 -0.31 1.67 0.24 -0.47 -4.50 118.33 113.14 3m72 n VAL 249 Ca 0.19 -2.22 0.12 0.00 -2.04 0.00 0.00 64.34 60.39 3m72 n VAL 249 Cb 0.36 -0.37 0.29 0.00 -1.47 0.00 0.00 33.84 32.66 3m72 n VAL 249 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3m72 h GLU 250 N 1.35 0.47 -0.62 7.34 4.81 -0.88 0.95 114.58 128.01 3m72 h GLU 250 Ca 0.34 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 3m72 h GLU 250 Cb 2.13 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 31.41 3m72 h GLU 250 CO 0.66 0.31 0.00 1.63 -0.73 0.00 0.00 179.01 180.88 3m72 n LYS 251 N -4.98 3.04 0.00 1.92 4.76 -1.26 -5.01 118.16 116.63 3m72 n LYS 251 Ca 0.21 -2.26 0.00 0.00 -2.87 0.00 0.00 58.31 53.40 3m72 n LYS 251 Cb 0.60 -1.71 0.00 0.00 -1.84 0.00 0.00 35.03 32.08 3m72 n LYS 251 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3m72 n GLY 252 N 1.06 3.04 3.76 0.72 0.00 0.33 -5.03 105.19 109.07 3m72 n GLY 252 Ca 0.20 -1.91 -0.41 0.00 0.00 0.00 0.00 46.02 43.91 3m72 n GLY 252 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m72 s LEU 253 N 0.00 4.49 0.22 0.99 1.43 -1.26 -4.75 118.68 119.80 3m72 s LEU 253 Ca 0.00 2.45 -0.15 0.00 -1.03 0.00 0.00 54.13 55.40 3m72 s LEU 253 Cb 0.00 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.59 3m72 s LEU 253 CO 0.00 -0.33 0.50 0.54 0.23 0.00 0.00 176.35 177.29 3m72 s ASN 254 N -0.61 -0.16 0.64 2.29 2.20 -1.26 -5.04 114.94 113.00 3m72 s ASN 254 Ca 0.47 -0.72 0.40 0.00 -0.94 0.00 0.00 52.86 52.07 3m72 s ASN 254 Cb -0.35 0.59 2.24 0.00 -2.00 0.00 0.00 41.25 41.72 3m72 s ASN 254 CO 0.46 -1.11 2.34 -0.29 -2.94 0.00 0.00 177.10 175.56 3m72 h ILE 255 N 2.23 0.18 0.00 0.54 6.09 -1.99 -1.39 117.51 123.17 3m72 h ILE 255 Ca -0.27 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.22 3m72 h ILE 255 Cb 1.25 1.00 0.00 0.00 0.47 0.00 0.00 36.82 39.54 3m72 h ILE 255 CO 0.36 0.00 0.00 1.23 -3.07 0.00 0.00 178.15 176.67 3m72 h GLY 256 N 0.00 0.00 2.00 8.18 0.00 -1.97 -2.19 103.07 109.10 3m72 h GLY 256 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3m72 h GLY 256 CO -0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.95 3m72 h LEU 257 N 0.00 0.00 -1.03 3.11 3.38 -1.55 -0.19 115.31 119.02 3m72 h LEU 257 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3m72 h LEU 257 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3m72 h LEU 257 CO 0.00 0.00 0.12 0.79 0.09 0.00 0.00 178.44 179.44 3m72 n TRP 258 N -2.42 0.53 0.20 1.13 7.02 -0.82 -1.25 117.44 121.82 3m72 n TRP 258 Ca -0.01 0.28 0.17 0.00 -1.02 0.00 0.00 57.50 56.92 3m72 n TRP 258 Cb 0.09 -0.86 0.82 0.00 -2.42 0.00 0.00 31.31 28.94 3m72 n TRP 258 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3m72 h ALA 259 N 1.67 1.82 0.00 6.99 0.00 -1.28 -1.14 119.26 127.32 3m72 h ALA 259 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3m72 h ALA 259 Cb 0.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3m72 h ALA 259 CO 0.00 -0.32 -0.13 0.74 0.00 0.00 0.00 179.25 179.54 3m72 h PHE 260 N 0.00 0.00 -0.18 0.00 0.04 -1.43 -3.37 116.94 112.00 3m72 h PHE 260 Ca 0.09 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.84 3m72 h PHE 260 Cb 0.53 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 3m72 h PHE 260 CO 0.00 0.00 0.01 0.66 -0.60 0.00 0.00 178.31 178.38 3m72 h SER 261 N 0.00 0.29 -0.02 2.17 4.64 -1.37 -1.87 113.55 117.39 3m72 h SER 261 Ca 0.00 -0.29 0.02 0.00 -0.47 0.00 0.00 61.79 61.05 3m72 h SER 261 Cb 0.88 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.87 3m72 h SER 261 CO 0.00 0.51 -0.10 0.15 -0.87 0.00 0.00 176.83 176.51 3m72 h PHE 262 N 0.07 -0.26 -0.64 4.77 3.57 -1.74 0.12 116.94 122.83 3m72 h PHE 262 Ca 0.05 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.47 3m72 h PHE 262 Cb 0.35 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 3m72 h PHE 262 CO 0.03 -0.16 0.05 -1.00 -2.23 0.00 0.00 178.31 175.00 3m72 h PRO 263 N -0.17 1.09 -0.67 6.41 0.13 -1.77 -0.62 132.00 136.40 3m72 h PRO 263 Ca 0.05 -0.32 -0.08 0.00 -0.87 0.00 0.00 66.00 64.78 3m72 h PRO 263 Cb 0.23 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 31.22 3m72 h PRO 263 CO -0.12 1.02 0.10 -0.07 -0.23 0.00 0.00 178.00 178.70 3m72 h LEU 264 N 1.00 1.07 -1.04 1.56 3.38 -1.18 0.12 115.31 120.23 3m72 h LEU 264 Ca 0.19 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 3m72 h LEU 264 Cb 0.50 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3m72 h LEU 264 CO 0.02 1.07 -0.05 0.00 0.09 0.00 0.00 178.44 179.57 3m72 h ALA 265 N 1.05 1.20 -0.29 1.53 0.00 -0.57 -0.85 119.26 121.33 3m72 h ALA 265 Ca 0.20 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 3m72 h ALA 265 Cb 0.46 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3m72 h ALA 265 CO 0.02 0.52 -0.37 0.77 0.00 0.00 0.00 179.25 180.19 3m72 h SER 266 N 0.59 0.69 -0.43 0.00 0.02 -0.55 -0.42 113.55 113.45 3m72 h SER 266 Ca 0.12 -0.29 0.01 0.00 -0.84 0.00 0.00 61.79 60.78 3m72 h SER 266 Cb 0.45 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 3m72 h SER 266 CO 0.02 0.99 0.27 -0.03 -1.14 0.00 0.00 176.83 176.94 3m72 h MET 267 N 0.54 0.53 -0.73 3.45 -1.53 -0.32 -1.04 114.93 115.85 3m72 h MET 267 Ca 0.05 -0.03 0.03 0.00 -3.44 0.00 0.00 59.70 56.31 3m72 h MET 267 Cb 0.88 -0.12 -0.04 0.00 -0.55 0.00 0.00 31.60 31.77 3m72 h MET 267 CO 0.08 0.35 0.46 0.00 0.14 0.00 0.00 176.91 177.94 3m72 h ALA 268 N 1.17 0.95 -0.02 0.39 0.00 -0.79 -0.07 119.26 120.89 3m72 h ALA 268 Ca 0.16 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3m72 h ALA 268 Cb -0.04 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 3m72 h ALA 268 CO -0.05 0.25 0.01 -0.97 0.00 0.00 0.00 179.25 178.49 3m72 h ASN 269 N 0.90 0.02 -0.68 0.00 -1.24 -0.72 -2.38 115.58 111.48 3m72 h ASN 269 Ca 0.29 -0.05 0.02 0.00 0.71 0.00 0.00 56.30 57.28 3m72 h ASN 269 Cb 0.00 -0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.01 3m72 h ASN 269 CO -0.10 0.06 0.45 0.77 -1.29 0.00 0.00 177.43 177.32 3m72 h SER 270 N -0.02 0.74 -0.51 1.15 4.64 -0.71 -1.40 113.55 117.43 3m72 h SER 270 Ca 0.01 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3m72 h SER 270 Cb 0.04 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 61.93 3m72 h SER 270 CO -0.00 0.52 0.33 0.00 -0.87 0.00 0.00 176.83 176.80 3m72 h ALA 271 N 1.59 1.60 -0.51 5.18 0.00 -0.54 -1.16 119.26 125.42 3m72 h ALA 271 Ca 0.26 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 3m72 h ALA 271 Cb -0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3m72 h ALA 271 CO -0.07 0.36 0.20 1.79 0.00 0.00 0.00 179.25 181.54 3m72 h THR 272 N 0.71 1.19 -0.18 0.00 1.35 -0.78 -0.09 112.91 115.10 3m72 h THR 272 Ca 0.19 -0.59 -0.21 0.00 -0.55 0.00 0.00 66.41 65.25 3m72 h THR 272 Cb -0.05 0.58 0.01 0.00 -1.73 0.00 0.00 68.15 66.95 3m72 h THR 272 CO -0.04 0.23 -0.70 0.00 -0.25 0.00 0.00 175.52 174.77 3m72 h ALA 273 N 1.49 0.32 -0.66 6.62 0.00 -1.18 -0.81 119.26 125.05 3m72 h ALA 273 Ca 0.18 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3m72 h ALA 273 Cb 0.15 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3m72 h ALA 273 CO -0.02 0.64 0.43 0.74 0.00 0.00 0.00 179.25 181.05 3m72 h PHE 274 N 0.52 0.83 -0.09 0.00 -1.00 -1.18 -0.94 116.94 115.08 3m72 h PHE 274 Ca -0.04 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.75 3m72 h PHE 274 Cb 1.33 -0.28 -0.00 0.00 3.61 0.00 0.00 35.95 40.60 3m72 h PHE 274 CO 0.09 0.53 0.04 -0.92 -1.61 0.00 0.00 178.31 176.44 3m72 h TYR 275 N 0.89 0.14 -0.54 -0.55 3.20 -0.90 -1.35 116.97 117.87 3m72 h TYR 275 Ca 0.24 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.21 3m72 h TYR 275 Cb -0.09 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.11 3m72 h TYR 275 CO -0.03 0.22 0.37 0.45 -1.64 0.00 0.00 178.16 177.53 3m72 h HIS 276 N 0.02 0.29 -0.06 -3.82 3.86 -1.01 -1.32 115.15 113.10 3m72 h HIS 276 Ca 0.03 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 3m72 h HIS 276 Cb 0.13 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.51 3m72 h HIS 276 CO -0.03 0.14 0.00 0.41 0.86 0.00 0.00 177.93 179.31 3m72 n GLY 277 N -1.55 -0.06 3.75 2.45 0.00 -0.37 -4.93 105.19 104.48 3m72 n GLY 277 Ca 0.09 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.47 3m72 n GLY 277 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3m72 n ASN 278 N 0.06 -2.93 -4.16 1.61 5.15 -0.50 -5.00 115.26 109.49 3m72 n ASN 278 Ca 0.18 -0.77 -0.33 0.00 -0.60 0.00 0.00 54.58 53.06 3m72 n ASN 278 Cb 0.31 -4.15 -0.16 0.00 -0.53 0.00 0.00 39.78 35.25 3m72 n ASN 278 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3m72 s VAL 279 N -3.49 2.13 -1.32 3.44 1.01 -0.59 -4.81 120.40 116.78 3m72 s VAL 279 Ca 0.28 -0.93 -0.06 0.00 0.00 0.00 0.00 61.98 61.27 3m72 s VAL 279 Cb -0.14 -1.88 -0.00 0.00 0.00 0.00 0.00 36.38 34.36 3m72 s VAL 279 CO 0.81 0.54 0.56 0.18 0.00 0.00 0.00 175.10 177.18 3m72 n LEU 280 N 4.35 -2.49 -0.19 3.92 4.77 -1.26 -4.26 117.00 121.84 3m72 n LEU 280 Ca -0.20 -0.99 0.01 0.00 -0.03 0.00 0.00 56.01 54.80 3m72 n LEU 280 Cb 0.51 -2.32 0.26 0.00 -2.33 0.00 0.00 43.42 39.54 3m72 n LEU 280 CO 0.27 0.44 1.22 1.56 -1.33 0.00 0.00 177.39 179.55 3m72 h GLN 281 N -1.87 0.93 -0.09 3.23 4.20 -1.87 0.19 115.11 119.82 3m72 h GLN 281 Ca -0.64 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.00 3m72 h GLN 281 Cb 1.37 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 28.94 3m72 h GLN 281 CO 0.58 0.63 0.02 0.78 -0.67 0.00 0.00 178.83 180.16 3m72 h GLY 282 N 0.97 0.17 0.65 3.46 0.00 -2.00 -0.88 103.07 105.43 3m72 h GLY 282 Ca 0.26 -0.11 0.08 0.00 0.00 0.00 0.00 47.33 47.55 3m72 h GLY 282 CO -0.05 0.10 0.54 -2.08 0.00 0.00 0.00 176.54 175.05 3m72 h VAL 283 N -0.08 1.00 -0.52 4.60 2.07 -1.85 -1.84 116.25 119.63 3m72 h VAL 283 Ca 0.03 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 3m72 h VAL 283 Cb 0.28 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 3m72 h VAL 283 CO 0.00 0.17 0.19 0.77 0.02 0.00 0.00 177.57 178.73 3m72 h SER 284 N 0.95 0.73 -0.37 0.57 4.64 -0.63 0.73 113.55 120.16 3m72 h SER 284 Ca 0.40 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.52 3m72 h SER 284 Cb 0.25 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 3m72 h SER 284 CO -0.20 0.71 0.18 0.40 -0.87 0.00 0.00 176.83 177.05 3m72 h ILE 285 N 0.70 1.17 -0.29 0.95 2.04 -0.92 -0.56 117.51 120.60 3m72 h ILE 285 Ca 0.17 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.56 3m72 h ILE 285 Cb 0.22 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 3m72 h ILE 285 CO -0.01 0.18 0.18 0.15 0.00 0.00 0.00 178.15 178.65 3m72 h PHE 286 N 0.46 0.37 -0.54 1.37 3.57 -0.94 -1.21 116.94 120.02 3m72 h PHE 286 Ca 0.13 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.63 3m72 h PHE 286 Cb 0.12 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 3m72 h PHE 286 CO -0.01 0.26 0.35 0.00 -2.23 0.00 0.00 178.31 176.67 3m72 h ALA 287 N 1.08 0.69 -0.49 2.41 0.00 -0.69 0.88 119.26 123.15 3m72 h ALA 287 Ca 0.10 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3m72 h ALA 287 Cb -0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3m72 h ALA 287 CO -0.02 0.14 0.12 0.35 0.00 0.00 0.00 179.25 179.84 3m72 h PHE 288 N 0.73 0.81 -0.23 0.00 3.57 -0.83 -1.81 116.94 119.18 3m72 h PHE 288 Ca 0.20 -0.09 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 3m72 h PHE 288 Cb -0.06 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.44 3m72 h PHE 288 CO -0.03 0.73 -0.03 0.28 -2.23 0.00 0.00 178.31 177.02 3m72 h VAL 289 N 0.66 1.27 -0.26 1.41 2.07 -0.99 -2.65 116.25 117.76 3m72 h VAL 289 Ca 0.15 -0.98 0.06 0.00 0.82 0.00 0.00 66.70 66.75 3m72 h VAL 289 Cb 0.32 1.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.48 3m72 h VAL 289 CO 0.00 0.30 -0.09 0.15 0.02 0.00 0.00 177.57 177.96 3m72 h PHE 290 N 0.19 -0.20 -0.81 1.57 3.57 -0.69 0.10 116.94 120.67 3m72 h PHE 290 Ca 0.06 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.62 3m72 h PHE 290 Cb 0.47 0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.29 3m72 h PHE 290 CO 0.04 -0.14 0.51 0.77 -2.23 0.00 0.00 178.31 177.26 3m72 h SER 291 N -0.04 0.84 -0.39 0.41 0.02 -1.31 -1.10 113.55 111.99 3m72 h SER 291 Ca 0.13 -0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.95 3m72 h SER 291 Cb 0.24 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 3m72 h SER 291 CO -0.29 0.58 -0.26 0.78 -1.14 0.00 0.00 176.83 176.49 3m72 h ASN 292 N 0.99 0.90 -0.48 3.07 2.35 -1.02 -1.17 115.58 120.22 3m72 h ASN 292 Ca 0.33 -0.43 -0.01 0.00 -0.55 0.00 0.00 56.30 55.63 3m72 h ASN 292 Cb 0.03 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 3m72 h ASN 292 CO -0.12 1.14 0.25 0.58 -1.65 0.00 0.00 177.43 177.63 3m72 h VAL 293 N 0.67 1.18 -0.46 2.81 2.07 -0.65 0.63 116.25 122.49 3m72 h VAL 293 Ca 0.08 -0.48 -0.05 0.00 0.82 0.00 0.00 66.70 67.07 3m72 h VAL 293 Cb 0.84 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3m72 h VAL 293 CO 0.07 0.19 0.10 0.24 0.02 0.00 0.00 177.57 178.19 3m72 h MET 294 N 0.64 0.75 -0.12 1.57 2.86 -1.03 -0.40 114.93 119.20 3m72 h MET 294 Ca 0.17 -0.19 -0.11 0.00 -2.06 0.00 0.00 59.70 57.51 3m72 h MET 294 Cb 0.08 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 3m72 h MET 294 CO -0.02 0.75 -0.40 0.82 1.06 0.00 0.00 176.91 179.12 3m72 h ILE 295 N 0.62 1.30 -0.79 -1.22 2.04 -1.11 -1.01 117.51 117.34 3m72 h ILE 295 Ca 0.14 -1.50 -0.04 0.00 1.00 0.00 0.00 64.86 64.46 3m72 h ILE 295 Cb 0.35 1.65 -0.04 0.00 -0.74 0.00 0.00 36.82 38.05 3m72 h ILE 295 CO 0.00 0.45 0.34 1.23 0.00 0.00 0.00 178.15 180.17 3m72 h GLY 296 N 1.19 1.25 1.15 5.37 0.00 -0.41 -0.81 103.07 110.81 3m72 h GLY 296 Ca 0.02 -0.66 -0.06 0.00 0.00 0.00 0.00 47.33 46.63 3m72 h GLY 296 CO 0.06 0.62 0.16 1.41 0.00 0.00 0.00 176.54 178.80 3m72 h LEU 297 N 1.14 0.99 -0.62 3.11 3.38 -0.58 -1.03 115.31 121.71 3m72 h LEU 297 Ca 0.27 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3m72 h LEU 297 Cb 0.18 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3m72 h LEU 297 CO -0.03 0.95 0.35 -0.07 0.09 0.00 0.00 178.44 179.74 3m72 h LEU 298 N 1.00 0.76 -0.34 1.67 3.38 -0.63 -0.11 115.31 121.04 3m72 h LEU 298 Ca 0.21 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3m72 h LEU 298 Cb 0.35 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3m72 h LEU 298 CO 0.00 0.62 0.22 0.58 0.09 0.00 0.00 178.44 179.95 3m72 h VAL 299 N 0.84 1.11 -0.43 1.22 2.07 -0.88 -1.16 116.25 119.01 3m72 h VAL 299 Ca 0.22 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 3m72 h VAL 299 Cb 0.02 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 3m72 h VAL 299 CO -0.04 0.10 0.08 -0.07 0.02 0.00 0.00 177.57 177.66 3m72 h LEU 300 N 0.45 0.68 -1.52 2.57 3.38 -0.90 -1.23 115.31 118.75 3m72 h LEU 300 Ca 0.12 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 3m72 h LEU 300 Cb -0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3m72 h LEU 300 CO -0.02 0.76 -0.06 0.24 0.09 0.00 0.00 178.44 179.45 3m72 h MET 301 N 0.57 0.24 -0.03 1.13 2.86 -0.93 0.08 114.93 118.85 3m72 h MET 301 Ca 0.13 -0.04 -0.15 0.00 -2.06 0.00 0.00 59.70 57.58 3m72 h MET 301 Cb 0.37 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 3m72 h MET 301 CO 0.01 0.32 -0.68 1.15 1.06 0.00 0.00 176.91 178.76 3m72 h THR 302 N 0.23 1.44 0.03 2.22 2.02 -0.62 -3.16 112.91 115.08 3m72 h THR 302 Ca 0.05 -2.22 -0.06 0.00 0.77 0.00 0.00 66.41 64.96 3m72 h THR 302 Cb 0.26 2.18 0.01 0.00 -1.74 0.00 0.00 68.15 68.85 3m72 h THR 302 CO 0.01 0.64 -0.26 0.40 0.37 0.00 0.00 175.52 176.69 3m72 h ILE 303 N 0.10 1.65 0.00 3.11 2.04 -0.76 -0.51 117.51 123.14 3m72 h ILE 303 Ca -0.01 -2.25 -0.03 0.00 1.00 0.00 0.00 64.86 63.57 3m72 h ILE 303 Cb 1.21 3.14 -0.01 0.00 -0.74 0.00 0.00 36.82 40.42 3m72 h ILE 303 CO 0.10 0.60 0.37 0.00 0.00 0.00 0.00 178.15 179.22 3m72 n TYR 304 N -4.48 0.00 0.00 1.37 9.36 -0.03 -2.35 117.16 121.04 3m72 n TYR 304 Ca -0.11 -0.22 0.00 0.00 3.32 0.00 0.00 57.90 60.90 3m72 n TYR 304 Cb 0.56 -0.57 0.00 0.00 -0.63 0.00 0.00 39.34 38.70 3m72 n TYR 304 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 3m72 n LYS 305 N 2.92 0.00 0.24 2.98 4.81 -1.20 -4.76 118.16 123.15 3m72 n LYS 305 Ca 0.06 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.58 3m72 n LYS 305 Cb 0.13 0.00 0.58 0.00 0.02 0.00 0.00 35.03 35.77 3m72 n LYS 305 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 3m72 h LEU 306 N 0.00 0.00 0.38 3.14 3.38 -0.69 0.17 115.31 121.69 3m72 h LEU 306 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3m72 h LEU 306 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3m72 h LEU 306 CO 0.00 0.15 -0.37 0.74 0.09 0.00 0.00 178.44 179.04 3m72 h THR 307 N 0.00 0.00 0.00 0.22 2.02 -1.72 -2.47 112.91 110.96 3m72 h THR 307 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3m72 h THR 307 Cb 0.28 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.69 3m72 h THR 307 CO 0.02 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.20 3m72 n LYS 308 N -4.64 0.34 -2.71 6.66 4.76 -0.65 -4.87 118.16 117.04 3m72 n LYS 308 Ca -0.09 0.08 -0.06 0.00 -2.87 0.00 0.00 58.31 55.37 3m72 n LYS 308 Cb 0.34 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 32.05 3m72 n LYS 308 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3m72 n GLY 309 N 0.11 0.47 0.01 0.72 0.00 0.49 -4.94 105.19 102.04 3m72 n GLY 309 Ca 0.10 -0.40 0.02 0.00 0.00 0.00 0.00 46.02 45.74 3m72 n GLY 309 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3m72 n GLN 310 N -1.78 5.60 0.00 1.61 6.02 -0.98 -5.05 117.38 122.81 3m72 n GLN 310 Ca -0.02 -0.03 0.01 0.00 -0.01 0.00 0.00 57.00 56.96 3m72 n GLN 310 Cb 0.52 -0.68 0.08 0.00 1.02 0.00 0.00 30.24 31.19 3m72 n GLN 310 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39