#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m75 s LEU 9 N 0.00 4.37 0.12 1.53 2.96 -1.26 -4.87 118.68 121.53 3m75 s LEU 9 Ca 0.00 2.73 -0.31 0.00 -0.22 0.00 0.00 54.13 56.34 3m75 s LEU 9 Cb 0.00 -3.59 -0.07 0.00 0.50 0.00 0.00 46.19 43.03 3m75 s LEU 9 CO 0.00 -0.92 1.26 -2.84 -1.32 0.00 0.00 176.35 172.52 3m75 s PRO 10 N 1.59 4.41 0.43 0.98 0.02 -1.26 -4.87 135.00 136.30 3m75 s PRO 10 Ca 0.74 1.90 0.13 0.00 0.02 0.00 0.00 61.00 63.79 3m75 s PRO 10 Cb -0.46 -3.28 0.94 0.00 0.02 0.00 0.00 34.50 31.71 3m75 s PRO 10 CO 0.32 -0.26 1.96 1.15 -0.33 0.00 0.00 177.00 179.84 3m75 h THR 11 N 4.20 1.15 0.00 0.99 2.02 -1.94 -1.17 112.91 118.16 3m75 h THR 11 Ca -0.43 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.03 3m75 h THR 11 Cb 1.21 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.98 3m75 h THR 11 CO 0.81 0.21 0.00 1.23 0.37 0.00 0.00 175.52 178.14 3m75 h GLY 12 N 0.64 0.00 2.00 2.16 0.00 -1.89 -2.25 103.07 103.73 3m75 h GLY 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3m75 h GLY 12 CO 0.03 0.00 0.00 -0.97 0.00 0.00 0.00 176.54 175.60 3m75 h TYR 13 N 0.00 0.00 0.00 5.60 -1.99 -1.60 -0.18 116.97 118.80 3m75 h TYR 13 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3m75 h TYR 13 Cb 0.07 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.80 3m75 h TYR 13 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 178.16 179.35 3m75 n PHE 14 N -2.66 0.62 0.28 4.88 3.72 -0.85 -1.38 117.46 122.08 3m75 n PHE 14 Ca -0.01 0.31 0.15 0.00 -0.05 0.00 0.00 57.45 57.84 3m75 n PHE 14 Cb 0.13 -0.99 0.80 0.00 -0.94 0.00 0.00 39.48 38.48 3m75 n PHE 14 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3m75 h GLY 15 N 0.48 0.00 0.65 1.37 0.00 -1.27 -2.44 103.07 101.86 3m75 h GLY 15 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3m75 h GLY 15 CO 0.00 0.00 -0.24 -2.22 0.00 0.00 0.00 176.54 174.08 3m75 h ILE 16 N 0.00 0.30 0.00 2.60 2.04 -1.44 -0.73 117.51 120.27 3m75 h ILE 16 Ca -0.00 -0.47 -0.04 0.00 1.00 0.00 0.00 64.86 65.35 3m75 h ILE 16 Cb 0.28 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 3m75 h ILE 16 CO 0.01 0.05 -0.18 1.55 0.00 0.00 0.00 178.15 179.58 3m75 h PRO 17 N -1.03 0.00 0.47 2.37 0.13 -1.72 -2.14 132.00 130.07 3m75 h PRO 17 Ca -0.07 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.05 3m75 h PRO 17 Cb 0.60 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 3m75 h PRO 17 CO 0.11 0.18 -0.31 1.25 -0.23 0.00 0.00 178.00 179.00 3m75 h LEU 18 N 0.00 -0.79 -0.70 1.56 6.46 -1.31 0.10 115.31 120.63 3m75 h LEU 18 Ca -0.00 0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.80 3m75 h LEU 18 Cb 0.37 0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 40.51 3m75 h LEU 18 CO 0.02 -0.48 0.42 1.23 -0.62 0.00 0.00 178.44 179.01 3m75 h GLY 19 N -0.75 1.03 1.07 3.75 0.00 -0.80 -0.50 103.07 106.86 3m75 h GLY 19 Ca -0.05 -0.44 -0.11 0.00 0.00 0.00 0.00 47.33 46.74 3m75 h GLY 19 CO 0.04 0.42 -0.09 1.41 0.00 0.00 0.00 176.54 178.32 3m75 h LEU 20 N 0.96 0.98 -0.17 3.11 3.38 -1.32 -1.91 115.31 120.35 3m75 h LEU 20 Ca 0.25 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 3m75 h LEU 20 Cb -0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 3m75 h LEU 20 CO -0.05 1.10 -0.03 0.00 0.09 0.00 0.00 178.44 179.55 3m75 h ALA 21 N 0.92 0.23 -0.90 1.53 0.00 -0.44 0.16 119.26 120.76 3m75 h ALA 21 Ca 0.14 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.84 3m75 h ALA 21 Cb 0.65 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 3m75 h ALA 21 CO 0.04 -0.02 0.59 0.00 0.00 0.00 0.00 179.25 179.86 3m75 h ALA 22 N 0.73 1.40 -0.35 0.00 0.00 -1.10 -2.04 119.26 117.90 3m75 h ALA 22 Ca 0.04 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 3m75 h ALA 22 Cb 0.45 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3m75 h ALA 22 CO 0.01 0.53 -0.29 1.25 0.00 0.00 0.00 179.25 180.75 3m75 h LEU 23 N 1.17 0.78 -0.67 0.00 5.85 -1.08 -1.98 115.31 119.37 3m75 h LEU 23 Ca 0.34 -0.31 0.11 0.00 0.84 0.00 0.00 57.88 58.86 3m75 h LEU 23 Cb -0.06 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 40.68 3m75 h LEU 23 CO -0.09 1.02 0.27 -1.28 -0.34 0.00 0.00 178.44 178.01 3m75 h SER 24 N 0.64 0.27 -0.03 1.25 0.87 -0.37 -2.17 113.55 114.01 3m75 h SER 24 Ca 0.08 0.09 -0.11 0.00 -1.23 0.00 0.00 61.79 60.61 3m75 h SER 24 Cb 0.82 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.82 3m75 h SER 24 CO 0.07 0.14 -0.32 -0.07 -0.53 0.00 0.00 176.83 176.12 3m75 h LEU 25 N 0.45 0.51 0.01 2.23 3.38 -0.94 -1.25 115.31 119.69 3m75 h LEU 25 Ca 0.35 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 58.12 3m75 h LEU 25 Cb 0.45 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3m75 h LEU 25 CO -0.33 0.81 -0.04 0.00 0.09 0.00 0.00 178.44 178.97 3m75 h ALA 26 N 1.22 -0.05 -0.25 1.53 0.00 -0.85 -2.36 119.26 118.51 3m75 h ALA 26 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3m75 h ALA 26 Cb 0.78 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3m75 h ALA 26 CO 0.06 -0.54 -0.03 -1.49 0.00 0.00 0.00 179.25 177.25 3m75 h TRP 27 N -0.08 0.40 -0.83 0.00 4.06 -1.11 -2.23 115.95 116.15 3m75 h TRP 27 Ca 0.01 -0.03 0.05 0.00 2.06 0.00 0.00 58.89 60.98 3m75 h TRP 27 Cb 0.09 -0.12 -0.05 0.00 -1.00 0.00 0.00 29.16 28.09 3m75 h TRP 27 CO -0.11 0.43 0.55 0.35 -3.56 0.00 0.00 178.44 176.09 3m75 h PHE 28 N 0.37 0.97 0.00 0.49 3.57 -0.73 -0.48 116.94 121.12 3m75 h PHE 28 Ca 0.08 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.61 3m75 h PHE 28 Cb 0.30 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.72 3m75 h PHE 28 CO 0.01 0.53 0.00 0.72 -2.23 0.00 0.00 178.31 177.34 3m75 n HIS 29 N -4.47 0.00 0.85 0.41 8.25 -0.84 -2.31 115.22 117.11 3m75 n HIS 29 Ca 0.12 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.67 3m75 n HIS 29 Cb 0.16 -0.06 0.01 0.00 1.12 0.00 0.00 29.99 31.22 3m75 n HIS 29 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3m75 n LEU 30 N -1.06 1.93 -0.23 2.41 4.77 -0.19 -4.53 117.00 120.10 3m75 n LEU 30 Ca 0.18 -0.79 0.11 0.00 -0.03 0.00 0.00 56.01 55.48 3m75 n LEU 30 Cb 0.11 0.00 0.39 0.00 -2.33 0.00 0.00 43.42 41.59 3m75 n LEU 30 CO 0.16 0.36 1.22 -0.08 -1.33 0.00 0.00 177.39 177.71 3m75 h GLU 31 N 2.33 0.64 0.00 3.23 4.81 -1.48 0.10 114.58 124.21 3m75 h GLU 31 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3m75 h GLU 31 Cb 0.67 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.91 3m75 h GLU 31 CO 0.00 0.43 0.00 -2.95 -0.73 0.00 0.00 179.01 175.76 3m75 h ASN 32 N 0.66 0.00 0.00 1.04 7.08 -1.82 -3.11 115.58 119.43 3m75 h ASN 32 Ca 0.40 0.00 -0.18 0.00 -3.08 0.00 0.00 56.30 53.44 3m75 h ASN 32 Cb 0.63 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.84 3m75 h ASN 32 CO -0.17 0.00 -1.69 0.18 -2.08 0.00 0.00 177.43 173.68 3m75 n LEU 33 N -2.41 1.68 -3.45 6.14 4.77 -0.35 -4.92 117.00 118.46 3m75 n LEU 33 Ca 0.00 -0.04 -0.25 0.00 -0.03 0.00 0.00 56.01 55.70 3m75 n LEU 33 Cb 0.15 -0.14 -0.12 0.00 -2.33 0.00 0.00 43.42 40.98 3m75 n LEU 33 CO 0.17 0.50 -0.27 0.12 -1.33 0.00 0.00 177.39 176.58 3m75 s PHE 34 N -2.24 0.22 0.35 -1.77 5.36 -0.12 -5.05 117.98 114.73 3m75 s PHE 34 Ca -0.11 -1.03 0.11 0.00 -0.96 0.00 0.00 56.93 54.94 3m75 s PHE 34 Cb 0.04 -0.73 0.90 0.00 -0.34 0.00 0.00 43.02 42.88 3m75 s PHE 34 CO 0.33 -0.87 1.80 -1.35 -1.46 0.00 0.00 175.22 173.67 3m75 h PRO 35 N 7.61 0.58 -0.00 10.12 0.11 -1.80 0.30 132.00 148.91 3m75 h PRO 35 Ca -0.04 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.03 3m75 h PRO 35 Cb 1.01 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 3m75 h PRO 35 CO 0.31 0.39 0.03 0.00 -0.21 0.00 0.00 178.00 178.51 3m75 h ALA 36 N 1.63 1.12 -0.27 -0.75 0.00 -1.93 -1.83 119.26 117.22 3m75 h ALA 36 Ca 0.55 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.48 3m75 h ALA 36 Cb 1.07 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3m75 h ALA 36 CO -0.30 -0.03 0.18 0.00 0.00 0.00 0.00 179.25 179.10 3m75 h ALA 37 N 1.95 1.90 -0.80 0.00 0.00 -1.24 -2.27 119.26 118.79 3m75 h ALA 37 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3m75 h ALA 37 Cb 0.06 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3m75 h ALA 37 CO -0.00 0.07 0.45 -0.09 0.00 0.00 0.00 179.25 179.68 3m75 h ARG 38 N 0.28 1.11 -0.61 0.00 9.65 -1.51 0.21 114.38 123.51 3m75 h ARG 38 Ca 0.11 -0.12 -0.03 0.00 -1.10 0.00 0.00 59.98 58.84 3m75 h ARG 38 Cb 0.08 -0.22 -0.03 0.00 -1.39 0.00 0.00 29.97 28.41 3m75 h ARG 38 CO -0.02 0.81 0.27 1.98 2.80 0.00 0.00 179.97 185.82 3m75 h MET 39 N 1.11 0.90 -0.39 0.20 4.05 -1.60 0.87 114.93 120.08 3m75 h MET 39 Ca 0.28 -0.15 -0.01 0.00 -0.28 0.00 0.00 59.70 59.55 3m75 h MET 39 Cb 0.02 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 30.64 3m75 h MET 39 CO -0.05 0.74 0.20 0.28 0.23 0.00 0.00 176.91 178.31 3m75 h VAL 40 N 0.85 1.16 -0.45 -5.77 2.07 -1.34 -1.00 116.25 111.76 3m75 h VAL 40 Ca 0.21 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 67.30 3m75 h VAL 40 Cb 0.15 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3m75 h VAL 40 CO -0.02 0.17 0.27 -1.28 0.02 0.00 0.00 177.57 176.73 3m75 h SER 41 N 0.49 0.43 -0.47 0.57 0.87 -0.66 -1.51 113.55 113.27 3m75 h SER 41 Ca 0.13 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.65 3m75 h SER 41 Cb 0.09 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 3m75 h SER 41 CO -0.02 0.31 0.12 0.44 -0.53 0.00 0.00 176.83 177.15 3m75 h ASP 42 N 0.54 0.71 0.10 6.23 3.32 -0.55 0.89 116.42 127.66 3m75 h ASP 42 Ca 0.18 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 3m75 h ASP 42 Cb 0.01 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.37 3m75 h ASP 42 CO -0.08 0.75 -0.05 0.58 -1.72 0.00 0.00 179.24 178.72 3m75 h VAL 43 N 0.63 0.94 -0.94 -1.35 2.07 -1.04 0.09 116.25 116.66 3m75 h VAL 43 Ca 0.15 -0.15 0.06 0.00 0.82 0.00 0.00 66.70 67.58 3m75 h VAL 43 Cb 0.32 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.06 3m75 h VAL 43 CO 0.00 0.04 0.60 -0.07 0.02 0.00 0.00 177.57 178.15 3m75 h LEU 44 N -0.20 0.96 -0.59 2.57 3.38 -1.16 -1.53 115.31 118.74 3m75 h LEU 44 Ca -0.01 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 3m75 h LEU 44 Cb 0.16 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3m75 h LEU 44 CO 0.02 0.62 -0.10 1.23 0.09 0.00 0.00 178.44 180.30 3m75 h GLY 45 N 1.10 1.10 0.94 0.83 0.00 -0.49 0.48 103.07 107.03 3m75 h GLY 45 Ca 0.40 -0.87 -0.10 0.00 0.00 0.00 0.00 47.33 46.76 3m75 h GLY 45 CO -0.16 0.80 -0.18 -2.22 0.00 0.00 0.00 176.54 174.78 3m75 h ILE 46 N 0.90 1.29 -0.24 2.60 2.04 -0.66 -0.97 117.51 122.47 3m75 h ILE 46 Ca 0.14 -1.29 -0.01 0.00 1.00 0.00 0.00 64.86 64.70 3m75 h ILE 46 Cb 0.66 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 3m75 h ILE 46 CO 0.05 0.42 0.10 0.58 0.00 0.00 0.00 178.15 179.30 3m75 h VAL 47 N 0.44 1.16 -0.70 1.67 2.07 -1.19 0.10 116.25 119.80 3m75 h VAL 47 Ca 0.07 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 3m75 h VAL 47 Cb 0.71 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 3m75 h VAL 47 CO 0.05 0.16 0.43 0.00 0.02 0.00 0.00 177.57 178.24 3m75 h ALA 48 N 0.95 0.89 -0.61 1.67 0.00 -0.84 -1.01 119.26 120.31 3m75 h ALA 48 Ca 0.08 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3m75 h ALA 48 Cb 0.16 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3m75 h ALA 48 CO -0.01 0.35 0.18 0.77 0.00 0.00 0.00 179.25 180.54 3m75 h SER 49 N 0.95 0.90 -0.36 0.00 0.02 -0.95 -0.13 113.55 113.97 3m75 h SER 49 Ca 0.25 -0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 3m75 h SER 49 Cb -0.05 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 3m75 h SER 49 CO -0.05 0.88 0.14 0.00 -1.14 0.00 0.00 176.83 176.65 3m75 h ALA 50 N 1.06 0.47 -0.58 3.77 0.00 -0.54 -0.17 119.26 123.27 3m75 h ALA 50 Ca 0.19 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3m75 h ALA 50 Cb 0.31 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3m75 h ALA 50 CO -0.00 0.08 0.29 0.28 0.00 0.00 0.00 179.25 179.90 3m75 h VAL 51 N 0.43 1.20 -0.29 0.00 2.07 -1.07 -1.95 116.25 116.64 3m75 h VAL 51 Ca 0.12 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 67.13 3m75 h VAL 51 Cb 0.20 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 3m75 h VAL 51 CO -0.01 0.22 0.09 -0.25 0.02 0.00 0.00 177.57 177.65 3m75 h TRP 52 N 0.78 0.17 -0.41 1.57 7.01 -0.80 -0.43 115.95 123.84 3m75 h TRP 52 Ca 0.20 0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.28 3m75 h TRP 52 Cb 0.09 -0.03 -0.06 0.00 -2.10 0.00 0.00 29.16 27.06 3m75 h TRP 52 CO -0.01 0.07 0.07 0.82 -2.79 0.00 0.00 178.44 176.61 3m75 h ILE 53 N 0.22 0.78 -0.25 2.65 2.04 -0.79 0.14 117.51 122.30 3m75 h ILE 53 Ca 0.13 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 65.93 3m75 h ILE 53 Cb 0.10 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 3m75 h ILE 53 CO -0.14 0.04 0.14 0.25 0.00 0.00 0.00 178.15 178.44 3m75 h LEU 54 N 0.20 0.23 -0.74 1.44 5.85 -1.02 -1.12 115.31 120.16 3m75 h LEU 54 Ca 0.20 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.79 3m75 h LEU 54 Cb 0.25 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 3m75 h LEU 54 CO -0.27 0.17 -0.47 -0.26 -0.34 0.00 0.00 178.44 177.27 3m75 h PHE 55 N 0.30 0.46 -0.35 1.25 0.04 -0.57 0.11 116.94 118.18 3m75 h PHE 55 Ca 0.10 -0.14 -0.02 0.00 2.80 0.00 0.00 57.97 60.71 3m75 h PHE 55 Cb -0.00 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.04 3m75 h PHE 55 CO -0.08 0.78 0.16 0.82 -0.60 0.00 0.00 178.31 179.39 3m75 h ILE 56 N 0.30 1.17 -0.85 -0.55 1.08 -0.54 0.12 117.51 118.25 3m75 h ILE 56 Ca 0.02 -0.50 -0.03 0.00 -0.39 0.00 0.00 64.86 63.96 3m75 h ILE 56 Cb 0.95 0.85 -0.04 0.00 -3.07 0.00 0.00 36.82 35.51 3m75 h ILE 56 CO 0.08 0.18 0.43 -0.07 -0.69 0.00 0.00 178.15 178.08 3m75 h LEU 57 N 0.43 1.09 -0.87 1.44 3.38 -0.84 -0.20 115.31 119.74 3m75 h LEU 57 Ca 0.12 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3m75 h LEU 57 Cb 0.14 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3m75 h LEU 57 CO -0.01 0.90 -0.14 0.24 0.09 0.00 0.00 178.44 179.52 3m75 h MET 58 N 1.20 0.69 -0.05 1.13 2.86 -0.65 -1.65 114.93 118.47 3m75 h MET 58 Ca 0.29 -0.23 -0.16 0.00 -2.06 0.00 0.00 59.70 57.54 3m75 h MET 58 Cb 0.08 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 3m75 h MET 58 CO -0.04 0.80 -0.70 -0.92 1.06 0.00 0.00 176.91 177.11 3m75 h TYR 59 N 0.62 0.31 -0.74 -0.22 3.20 -0.32 -0.98 116.97 118.84 3m75 h TYR 59 Ca 0.10 -0.14 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 3m75 h TYR 59 Cb 0.59 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.78 3m75 h TYR 59 CO 0.03 0.85 0.33 0.00 -1.64 0.00 0.00 178.16 177.73 3m75 h ALA 60 N 1.11 1.19 -0.70 1.82 0.00 -0.78 -0.05 119.26 121.86 3m75 h ALA 60 Ca -0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3m75 h ALA 60 Cb 1.25 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 3m75 h ALA 60 CO 0.11 0.60 0.33 -0.92 0.00 0.00 0.00 179.25 179.37 3m75 h TYR 61 N 1.06 1.00 -0.67 0.00 3.20 -1.03 -1.76 116.97 118.77 3m75 h TYR 61 Ca 0.25 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 3m75 h TYR 61 Cb 0.14 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.07 3m75 h TYR 61 CO 0.01 0.74 0.38 -0.22 -1.64 0.00 0.00 178.16 177.44 3m75 h LYS 62 N 0.97 0.93 -0.18 1.82 3.64 -0.62 0.49 116.57 123.62 3m75 h LYS 62 Ca 0.24 -0.10 -0.07 0.00 -1.27 0.00 0.00 60.65 59.45 3m75 h LYS 62 Cb 0.12 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 3m75 h LYS 62 CO -0.03 0.69 -0.20 -0.07 -2.27 0.00 0.00 179.45 177.56 3m75 h LEU 63 N 0.92 0.30 0.13 5.20 3.38 -0.69 0.39 115.31 124.94 3m75 h LEU 63 Ca 0.24 -0.08 -0.20 0.00 0.09 0.00 0.00 57.88 57.93 3m75 h LEU 63 Cb 0.02 -0.08 0.02 0.00 0.09 0.00 0.00 40.66 40.71 3m75 h LEU 63 CO -0.04 0.52 -0.85 -0.09 0.09 0.00 0.00 178.44 178.07 3m75 h ARG 64 N 0.28 0.35 0.00 1.13 9.65 -0.92 -3.34 114.38 121.53 3m75 h ARG 64 Ca 0.05 -0.55 0.00 0.00 -1.10 0.00 0.00 59.98 58.38 3m75 h ARG 64 Cb 0.53 0.20 0.00 0.00 -1.39 0.00 0.00 29.97 29.30 3m75 h ARG 64 CO 0.04 1.25 -0.48 0.66 2.80 0.00 0.00 179.97 184.23 3m75 n TYR 65 N -4.09 0.00 -2.55 2.20 4.01 0.13 -4.60 117.16 112.25 3m75 n TYR 65 Ca -0.14 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.51 3m75 n TYR 65 Cb 0.83 -0.02 0.04 0.00 -0.31 0.00 0.00 39.34 39.88 3m75 n TYR 65 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3m75 n TYR 66 N -1.25 1.84 -0.12 -0.72 4.01 0.13 -4.93 117.16 116.12 3m75 n TYR 66 Ca 0.01 -2.29 0.05 0.00 -0.16 0.00 0.00 57.90 55.52 3m75 n TYR 66 Cb 0.14 -0.27 0.37 0.00 -0.31 0.00 0.00 39.34 39.27 3m75 n TYR 66 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 3m75 h PHE 67 N 2.51 0.69 0.00 -0.72 3.57 -1.60 -0.78 116.94 120.61 3m75 h PHE 67 Ca 0.05 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 3m75 h PHE 67 Cb 1.32 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.83 3m75 h PHE 67 CO 0.63 0.40 -0.20 0.93 -2.23 0.00 0.00 178.31 177.84 3m75 h GLU 68 N 0.71 0.00 -0.51 1.11 4.39 -1.91 0.90 114.58 119.27 3m75 h GLU 68 Ca 0.25 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.84 3m75 h GLU 68 Cb 0.10 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 3m75 h GLU 68 CO -0.07 0.20 -0.10 1.49 -1.16 0.00 0.00 179.01 179.37 3m75 h GLU 69 N 0.00 0.98 -0.30 2.33 4.81 -1.51 -1.77 114.58 119.12 3m75 h GLU 69 Ca -0.00 -0.36 -0.03 0.00 -0.13 0.00 0.00 59.36 58.84 3m75 h GLU 69 Cb 0.39 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 3m75 h GLU 69 CO 0.03 1.03 0.08 0.28 -0.73 0.00 0.00 179.01 179.70 3m75 h VAL 70 N 0.84 1.21 -0.59 0.32 2.07 -1.16 -2.01 116.25 116.93 3m75 h VAL 70 Ca 0.13 -0.70 0.08 0.00 0.82 0.00 0.00 66.70 67.04 3m75 h VAL 70 Cb 0.66 1.10 -0.07 0.00 -1.52 0.00 0.00 31.29 31.47 3m75 h VAL 70 CO 0.05 0.23 0.23 -0.09 0.02 0.00 0.00 177.57 178.01 3m75 h ARG 71 N 0.32 0.42 -0.57 1.57 2.43 -0.78 0.11 114.38 117.88 3m75 h ARG 71 Ca 0.09 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.17 3m75 h ARG 71 Cb 0.28 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 3m75 h ARG 71 CO -0.00 0.27 0.10 0.00 -1.51 0.00 0.00 179.97 178.84 3m75 h ALA 72 N 1.39 0.76 -0.38 2.80 0.00 -1.17 -1.57 119.26 121.09 3m75 h ALA 72 Ca 0.29 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 3m75 h ALA 72 Cb 0.33 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3m75 h ALA 72 CO -0.28 0.50 -0.21 1.05 0.00 0.00 0.00 179.25 180.32 3m75 h GLU 73 N 0.84 0.74 -0.38 0.00 4.11 -0.96 -1.87 114.58 117.06 3m75 h GLU 73 Ca 0.18 -0.29 -0.02 0.00 0.07 0.00 0.00 59.36 59.30 3m75 h GLU 73 Cb 0.40 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3m75 h GLU 73 CO 0.01 0.89 0.16 -0.92 0.07 0.00 0.00 179.01 179.22 3m75 h TYR 74 N 0.65 0.58 0.00 2.06 3.20 -0.71 -1.96 116.97 120.80 3m75 h TYR 74 Ca 0.09 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.92 3m75 h TYR 74 Cb 0.70 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.80 3m75 h TYR 74 CO 0.03 0.51 -0.10 0.45 -1.64 0.00 0.00 178.16 177.42 3m75 h HIS 75 N 0.48 0.00 -2.97 -3.82 3.86 -1.20 -3.41 115.15 108.09 3m75 h HIS 75 Ca 0.13 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.81 3m75 h HIS 75 Cb 0.17 0.00 0.05 0.00 1.06 0.00 0.00 27.41 28.69 3m75 h HIS 75 CO -0.00 0.00 0.87 0.45 0.86 0.00 0.00 177.93 180.11 3m75 s SER 76 N -4.71 6.56 0.00 2.45 0.15 -0.71 -4.89 113.70 112.55 3m75 s SER 76 Ca 0.09 2.68 0.19 0.00 0.70 0.00 0.00 55.95 59.62 3m75 s SER 76 Cb 0.12 -2.60 0.94 0.00 -1.71 0.00 0.00 66.02 62.76 3m75 s SER 76 CO 0.63 -0.82 1.58 -0.81 1.20 0.00 0.00 173.24 175.01 3m75 n PRO 77 N 3.47 0.24 -0.06 5.44 -0.04 -1.26 -2.51 135.00 140.27 3m75 n PRO 77 Ca 0.12 0.11 -0.14 0.00 -0.04 0.00 0.00 63.50 63.56 3m75 n PRO 77 Cb 0.38 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.30 3m75 n PRO 77 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3m75 n VAL 78 N -1.31 0.71 0.40 0.52 0.31 -1.26 -4.75 118.33 112.95 3m75 n VAL 78 Ca 0.08 -0.17 0.13 0.00 -0.01 0.00 0.00 64.34 64.38 3m75 n VAL 78 Cb 0.16 -1.68 0.47 0.00 -0.91 0.00 0.00 33.84 31.88 3m75 n VAL 78 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3m75 h ARG 79 N -0.46 0.00 -0.22 5.55 3.08 -1.78 -3.18 114.38 117.38 3m75 h ARG 79 Ca -0.32 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.76 3m75 h ARG 79 Cb 1.27 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.31 3m75 h ARG 79 CO -0.19 0.00 0.15 0.27 -1.07 0.00 0.00 179.97 179.12 3m75 h PHE 80 N 0.00 0.15 -0.63 3.04 -5.15 -1.05 -2.79 116.94 110.51 3m75 h PHE 80 Ca 0.00 0.00 0.06 0.00 -0.20 0.00 0.00 57.97 57.83 3m75 h PHE 80 Cb 0.58 -0.05 -0.04 0.00 0.22 0.00 0.00 35.95 36.66 3m75 h PHE 80 CO 0.00 0.09 0.42 0.77 -2.00 0.00 0.00 178.31 177.58 3m75 h SER 81 N 0.15 0.55 0.68 -0.68 0.02 -1.84 -1.78 113.55 110.65 3m75 h SER 81 Ca 0.09 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 3m75 h SER 81 Cb 0.18 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 3m75 h SER 81 CO -0.01 0.36 -0.09 -0.26 -1.14 0.00 0.00 176.83 175.68 3m75 h PHE 82 N 0.62 0.00 0.00 3.45 0.04 -1.75 -1.75 116.94 117.55 3m75 h PHE 82 Ca 0.27 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.03 3m75 h PHE 82 Cb 0.27 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.42 3m75 h PHE 82 CO -0.00 0.09 -0.03 0.82 -0.60 0.00 0.00 178.31 178.59 3m75 h ILE 83 N 0.00 0.97 0.00 -0.55 2.04 -1.50 -1.34 117.51 117.13 3m75 h ILE 83 Ca -0.00 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 3m75 h ILE 83 Cb 0.45 1.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 3m75 h ILE 83 CO 0.01 0.03 -0.01 0.00 0.00 0.00 0.00 178.15 178.18 3m75 h ALA 84 N 1.97 1.11 0.00 1.87 0.00 -1.47 -1.20 119.26 121.55 3m75 h ALA 84 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3m75 h ALA 84 Cb 0.06 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3m75 h ALA 84 CO 0.00 0.01 -0.01 -0.07 0.00 0.00 0.00 179.25 179.18 3m75 h LEU 85 N 0.00 0.00 0.40 0.00 3.38 -1.41 -2.11 115.31 115.57 3m75 h LEU 85 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3m75 h LEU 85 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3m75 h LEU 85 CO 0.00 0.01 -0.19 0.40 0.09 0.00 0.00 178.44 178.75 3m75 h ILE 86 N 0.00 0.44 0.00 1.22 2.04 -1.39 -0.93 117.51 118.89 3m75 h ILE 86 Ca -0.00 -0.59 -0.06 0.00 1.00 0.00 0.00 64.86 65.20 3m75 h ILE 86 Cb 0.03 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 3m75 h ILE 86 CO 0.00 0.08 -0.31 1.55 0.00 0.00 0.00 178.15 179.48 3m75 h PRO 87 N -0.95 0.00 0.04 2.37 0.13 -1.71 -1.39 132.00 130.49 3m75 h PRO 87 Ca -0.06 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.07 3m75 h PRO 87 Cb 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 3m75 h PRO 87 CO 0.09 0.31 -0.02 0.82 -0.23 0.00 0.00 178.00 178.97 3m75 h ILE 88 N 0.00 0.97 -0.08 -3.56 2.04 -1.35 -1.71 117.51 113.82 3m75 h ILE 88 Ca -0.00 -0.02 -0.10 0.00 1.00 0.00 0.00 64.86 65.74 3m75 h ILE 88 Cb 0.55 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 3m75 h ILE 88 CO 0.04 0.01 -0.40 0.71 0.00 0.00 0.00 178.15 178.50 3m75 h THR 89 N -0.06 1.30 -0.38 -0.27 1.35 -0.97 -1.97 112.91 111.93 3m75 h THR 89 Ca -0.00 -1.48 0.02 0.00 -0.55 0.00 0.00 66.41 64.40 3m75 h THR 89 Cb 0.05 1.69 -0.03 0.00 -1.73 0.00 0.00 68.15 68.13 3m75 h THR 89 CO 0.01 0.44 0.21 0.74 -0.25 0.00 0.00 175.52 176.66 3m75 h THR 90 N 0.16 1.02 -0.61 6.82 2.02 -1.01 -0.14 112.91 121.16 3m75 h THR 90 Ca 0.01 -0.15 -0.05 0.00 0.77 0.00 0.00 66.41 67.00 3m75 h THR 90 Cb 0.78 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 3m75 h THR 90 CO 0.06 0.08 0.18 0.24 0.37 0.00 0.00 175.52 176.45 3m75 h MET 91 N 0.42 0.96 -0.61 6.66 2.07 -0.96 -1.56 114.93 121.91 3m75 h MET 91 Ca 0.15 -0.21 -0.10 0.00 -2.07 0.00 0.00 59.70 57.47 3m75 h MET 91 Cb 0.03 -0.14 -0.02 0.00 -1.87 0.00 0.00 31.60 29.60 3m75 h MET 91 CO -0.09 0.86 -0.00 -0.07 1.07 0.00 0.00 176.91 178.68 3m75 h LEU 92 N 0.88 1.06 -0.71 1.22 3.38 -1.00 0.83 115.31 120.98 3m75 h LEU 92 Ca 0.20 -0.30 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 3m75 h LEU 92 Cb 0.31 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3m75 h LEU 92 CO -0.00 1.11 0.05 0.58 0.09 0.00 0.00 178.44 180.27 3m75 h VAL 93 N 0.98 1.26 -0.52 1.22 2.07 -0.97 -1.17 116.25 119.12 3m75 h VAL 93 Ca 0.17 -1.08 0.09 0.00 0.82 0.00 0.00 66.70 66.71 3m75 h VAL 93 Cb 0.57 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 30.99 3m75 h VAL 93 CO 0.03 0.40 0.12 1.23 0.02 0.00 0.00 177.57 179.37 3m75 h GLY 94 N 1.02 0.66 1.02 2.17 0.00 -0.68 -0.14 103.07 107.12 3m75 h GLY 94 Ca 0.18 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 3m75 h GLY 94 CO 0.02 -0.07 0.55 -0.55 0.00 0.00 0.00 176.54 176.49 3m75 h ASP 95 N 0.26 1.14 0.04 0.19 3.32 -0.24 -1.05 116.42 120.09 3m75 h ASP 95 Ca 0.26 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 3m75 h ASP 95 Cb 0.36 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3m75 h ASP 95 CO -0.33 0.89 -0.02 0.40 -1.72 0.00 0.00 179.24 178.45 3m75 h ILE 96 N 1.30 1.06 0.00 0.35 2.04 -0.80 -3.10 117.51 118.37 3m75 h ILE 96 Ca 0.34 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 3m75 h ILE 96 Cb -0.03 1.29 -0.00 0.00 -0.74 0.00 0.00 36.82 37.33 3m75 h ILE 96 CO -0.06 0.09 -0.01 -0.07 0.00 0.00 0.00 178.15 178.10 3m75 h LEU 97 N -0.21 0.00 -1.83 1.44 3.38 -0.50 -2.55 115.31 115.04 3m75 h LEU 97 Ca -0.01 0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.20 3m75 h LEU 97 Cb 0.19 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 3m75 h LEU 97 CO 0.01 0.01 0.61 0.22 0.09 0.00 0.00 178.44 179.38 3m75 h TYR 98 N 0.00 0.18 0.00 1.13 3.20 -1.12 0.25 116.97 120.61 3m75 h TYR 98 Ca -0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3m75 h TYR 98 Cb 0.41 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.63 3m75 h TYR 98 CO 0.00 0.04 0.00 0.07 -1.64 0.00 0.00 178.16 176.63 3m75 h ARG 99 N 0.13 0.00 0.00 1.82 0.11 -1.63 -3.28 114.38 111.53 3m75 h ARG 99 Ca 0.43 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 60.41 3m75 h ARG 99 Cb 1.49 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.56 3m75 h ARG 99 CO -0.07 0.00 -1.39 0.91 0.10 0.00 0.00 179.97 179.52 3m75 n TRP 100 N -3.01 0.00 -3.28 4.08 8.01 0.23 -4.97 117.44 118.50 3m75 n TRP 100 Ca 0.00 0.00 -0.09 0.00 -1.31 0.00 0.00 57.50 56.10 3m75 n TRP 100 Cb 0.25 -0.27 -0.05 0.00 -2.01 0.00 0.00 31.31 29.24 3m75 n TRP 100 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.69 177.89 3m75 s ASN 101 N -4.08 -0.05 0.55 -0.99 3.84 0.63 -5.03 114.94 109.82 3m75 s ASN 101 Ca -0.05 -1.29 0.23 0.00 0.21 0.00 0.00 52.86 51.95 3m75 s ASN 101 Cb 0.02 1.18 1.53 0.00 -0.55 0.00 0.00 41.25 43.43 3m75 s ASN 101 CO 0.20 -0.21 2.19 -0.65 -2.79 0.00 0.00 177.10 175.84 3m75 h PRO 102 N 6.92 0.00 -0.07 0.43 0.11 -1.77 -1.72 132.00 135.91 3m75 h PRO 102 Ca 0.06 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.14 3m75 h PRO 102 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3m75 h PRO 102 CO 0.15 0.02 -0.04 -0.07 -0.21 0.00 0.00 178.00 177.84 3m75 h LEU 103 N 0.00 0.16 -0.60 2.35 3.38 -1.94 -0.34 115.31 118.32 3m75 h LEU 103 Ca -0.00 -0.44 -0.07 0.00 0.09 0.00 0.00 57.88 57.46 3m75 h LEU 103 Cb 0.03 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3m75 h LEU 103 CO 0.00 0.56 0.10 0.40 0.09 0.00 0.00 178.44 179.59 3m75 h ILE 104 N -0.24 1.26 -0.53 1.22 2.04 -1.91 -2.27 117.51 117.08 3m75 h ILE 104 Ca 0.01 -1.00 0.07 0.00 1.00 0.00 0.00 64.86 64.95 3m75 h ILE 104 Cb 0.51 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 3m75 h ILE 104 CO 0.01 0.37 0.21 0.00 0.00 0.00 0.00 178.15 178.74 3m75 h ALA 105 N 1.02 0.66 -0.39 1.87 0.00 -1.24 -1.93 119.26 119.25 3m75 h ALA 105 Ca 0.18 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 3m75 h ALA 105 Cb 0.42 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3m75 h ALA 105 CO 0.01 -0.18 -0.16 1.49 0.00 0.00 0.00 179.25 180.41 3m75 h GLU 106 N 0.40 0.72 -0.26 0.00 4.81 -0.74 -0.63 114.58 118.88 3m75 h GLU 106 Ca 0.25 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3m75 h GLU 106 Cb 0.26 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 3m75 h GLU 106 CO -0.24 0.85 0.16 0.28 -0.73 0.00 0.00 179.01 179.32 3m75 h VAL 107 N 0.65 1.09 -0.73 0.32 2.07 -0.95 -1.44 116.25 117.26 3m75 h VAL 107 Ca 0.10 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.35 3m75 h VAL 107 Cb 0.64 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 3m75 h VAL 107 CO 0.04 0.09 0.22 -0.07 0.02 0.00 0.00 177.57 177.88 3m75 h LEU 108 N 0.33 1.07 -0.47 2.57 3.38 -0.99 -1.36 115.31 119.84 3m75 h LEU 108 Ca 0.09 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3m75 h LEU 108 Cb 0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3m75 h LEU 108 CO -0.02 1.00 0.20 0.40 0.09 0.00 0.00 178.44 180.11 3m75 h ILE 109 N 1.10 1.20 -0.46 1.22 2.04 -0.84 -0.22 117.51 121.54 3m75 h ILE 109 Ca 0.24 -0.60 -0.11 0.00 1.00 0.00 0.00 64.86 65.39 3m75 h ILE 109 Cb 0.31 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 3m75 h ILE 109 CO -0.01 0.23 -0.13 -0.50 0.00 0.00 0.00 178.15 177.74 3m75 h TRP 110 N 0.62 1.02 -0.42 1.37 4.06 -1.11 -0.05 115.95 121.44 3m75 h TRP 110 Ca 0.16 -0.23 0.05 0.00 2.06 0.00 0.00 58.89 60.93 3m75 h TRP 110 Cb 0.17 -0.25 -0.05 0.00 -1.00 0.00 0.00 29.16 28.03 3m75 h TRP 110 CO -0.00 1.00 0.16 0.82 -3.56 0.00 0.00 178.44 176.86 3m75 h ILE 111 N 0.75 0.89 -0.16 1.49 2.04 -1.08 0.10 117.51 121.53 3m75 h ILE 111 Ca 0.11 -0.11 -0.13 0.00 1.00 0.00 0.00 64.86 65.73 3m75 h ILE 111 Cb 0.69 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 3m75 h ILE 111 CO 0.05 0.06 -0.46 1.23 0.00 0.00 0.00 178.15 179.03 3m75 h GLY 112 N 0.33 0.44 0.54 5.37 0.00 -0.86 -0.10 103.07 108.79 3m75 h GLY 112 Ca 0.20 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 3m75 h GLY 112 CO -0.19 0.42 -0.02 -0.84 0.00 0.00 0.00 176.54 175.90 3m75 h THR 113 N 0.33 1.25 -0.71 4.70 2.02 -0.75 -0.21 112.91 119.53 3m75 h THR 113 Ca 0.02 -1.03 -0.00 0.00 0.77 0.00 0.00 66.41 66.17 3m75 h THR 113 Cb 0.93 1.92 -0.03 0.00 -1.74 0.00 0.00 68.15 69.23 3m75 h THR 113 CO 0.08 0.26 0.44 0.40 0.37 0.00 0.00 175.52 177.07 3m75 h ILE 114 N -0.53 1.20 -0.24 3.11 2.04 -1.00 -1.79 117.51 120.30 3m75 h ILE 114 Ca -0.01 -0.42 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 3m75 h ILE 114 Cb 0.47 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 3m75 h ILE 114 CO 0.01 0.20 0.14 1.23 0.00 0.00 0.00 178.15 179.73 3m75 h GLY 115 N 0.97 0.34 1.23 5.37 0.00 -0.97 0.17 103.07 110.19 3m75 h GLY 115 Ca 0.26 -0.15 -0.13 0.00 0.00 0.00 0.00 47.33 47.31 3m75 h GLY 115 CO -0.05 0.14 -0.23 0.06 0.00 0.00 0.00 176.54 176.46 3m75 h GLN 116 N 0.29 0.88 -0.40 4.80 -0.00 -0.89 -0.38 115.11 119.41 3m75 h GLN 116 Ca 0.08 -0.37 -0.11 0.00 -0.00 0.00 0.00 58.65 58.25 3m75 h GLN 116 Cb 0.03 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.48 27.47 3m75 h GLN 116 CO -0.02 1.02 -0.18 1.25 -0.00 0.00 0.00 178.83 180.90 3m75 h LEU 117 N 0.76 0.85 -0.58 0.06 5.85 -1.15 -0.89 115.31 120.22 3m75 h LEU 117 Ca 0.10 -0.40 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 3m75 h LEU 117 Cb 0.78 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 3m75 h LEU 117 CO 0.06 1.06 0.24 -0.07 -0.34 0.00 0.00 178.44 179.40 3m75 h LEU 118 N 0.64 0.79 -0.13 2.25 3.38 -0.85 -0.79 115.31 120.59 3m75 h LEU 118 Ca 0.09 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.93 3m75 h LEU 118 Cb 0.74 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 3m75 h LEU 118 CO 0.06 0.73 -0.03 0.15 0.09 0.00 0.00 178.44 179.44 3m75 h PHE 119 N 0.79 -0.07 -0.46 1.13 3.57 -0.80 -0.89 116.94 120.21 3m75 h PHE 119 Ca 0.19 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.58 3m75 h PHE 119 Cb 0.18 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 3m75 h PHE 119 CO 0.01 -0.06 -0.20 0.77 -2.23 0.00 0.00 178.31 176.59 3m75 h SER 120 N -0.00 0.98 -0.75 0.41 0.02 -1.09 -0.39 113.55 112.72 3m75 h SER 120 Ca 0.06 -0.40 0.04 0.00 -0.84 0.00 0.00 61.79 60.66 3m75 h SER 120 Cb 0.10 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.33 3m75 h SER 120 CO -0.14 1.15 0.49 0.74 -1.14 0.00 0.00 176.83 177.94 3m75 h THR 121 N 0.80 1.10 0.06 -2.27 2.02 -0.94 0.60 112.91 114.28 3m75 h THR 121 Ca 0.11 -0.31 -0.10 0.00 0.77 0.00 0.00 66.41 66.88 3m75 h THR 121 Cb 0.78 0.13 0.01 0.00 -1.74 0.00 0.00 68.15 67.32 3m75 h THR 121 CO 0.06 0.16 -0.42 -0.07 0.37 0.00 0.00 175.52 175.62 3m75 h LEU 122 N 0.90 0.27 0.01 2.58 3.38 -0.93 -3.38 115.31 118.14 3m75 h LEU 122 Ca 0.30 -0.92 -0.41 0.00 0.09 0.00 0.00 57.88 56.94 3m75 h LEU 122 Cb 0.07 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 3m75 h LEU 122 CO -0.09 1.17 -2.44 -1.14 0.09 0.00 0.00 178.44 176.03 3m75 n ARG 123 N -4.36 0.64 -0.13 1.13 3.00 -0.18 -3.67 116.66 113.09 3m75 n ARG 123 Ca -0.12 0.20 -0.10 0.00 -0.00 0.00 0.00 57.85 57.84 3m75 n ARG 123 Cb 0.64 -1.53 -0.01 0.00 0.00 0.00 0.00 32.46 31.56 3m75 n ARG 123 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 3m75 h VAL 124 N -0.29 1.22 -0.80 5.15 2.07 -1.03 -2.91 116.25 119.65 3m75 h VAL 124 Ca -0.60 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.16 3m75 h VAL 124 Cb 1.82 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 32.54 3m75 h VAL 124 CO -0.17 0.26 0.45 0.77 0.02 0.00 0.00 177.57 178.89 3m75 h SER 125 N 0.46 0.99 -0.23 0.57 4.64 -1.70 -2.74 113.55 115.54 3m75 h SER 125 Ca 0.12 -0.08 0.06 0.00 -0.47 0.00 0.00 61.79 61.42 3m75 h SER 125 Cb 0.29 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 3m75 h SER 125 CO -0.00 0.79 0.16 -0.08 -0.87 0.00 0.00 176.83 176.83 3m75 h GLU 126 N 1.12 0.05 -0.24 4.77 4.81 -1.58 -0.35 114.58 123.15 3m75 h GLU 126 Ca 0.28 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.56 3m75 h GLU 126 Cb 0.01 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 3m75 h GLU 126 CO -0.05 0.03 0.17 -0.07 -0.73 0.00 0.00 179.01 178.36 3m75 h LEU 127 N 0.05 0.10 0.00 1.64 3.38 -1.44 -1.68 115.31 117.35 3m75 h LEU 127 Ca 0.10 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3m75 h LEU 127 Cb 0.36 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3m75 h LEU 127 CO -0.01 0.06 0.00 0.79 0.09 0.00 0.00 178.44 179.38 3m75 n TRP 128 N -4.48 0.00 0.40 1.13 8.01 -0.14 -1.86 117.44 120.50 3m75 n TRP 128 Ca 0.02 0.00 0.13 0.00 -1.31 0.00 0.00 57.50 56.35 3m75 n TRP 128 Cb 0.24 -0.32 0.50 0.00 -2.01 0.00 0.00 31.31 29.73 3m75 n TRP 128 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.69 178.64 3m75 h GLN 129 N 0.00 0.00 0.00 -0.99 4.20 -1.47 -3.49 115.11 113.36 3m75 h GLN 129 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3m75 h GLN 129 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 3m75 h GLN 129 CO 0.00 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 3m75 n GLY 130 N 0.33 -2.42 2.13 3.46 0.00 -0.78 -4.95 105.19 102.96 3m75 n GLY 130 Ca 0.03 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.58 3m75 n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m75 n GLY 131 N -2.04 1.12 0.83 -0.02 0.00 -1.26 -4.80 105.19 99.02 3m75 n GLY 131 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 3m75 n GLY 131 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3m75 n VAL 132 N -2.00 1.28 -1.79 1.61 0.31 -1.26 -4.99 118.33 111.49 3m75 n VAL 132 Ca 0.00 0.35 -0.41 0.00 -0.01 0.00 0.00 64.34 64.26 3m75 n VAL 132 Cb 0.00 -1.75 -0.02 0.00 -0.91 0.00 0.00 33.84 31.16 3m75 n VAL 132 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 3m75 s PHE 133 N -2.19 2.76 0.40 3.52 5.36 -1.26 -4.87 117.98 121.70 3m75 s PHE 133 Ca -0.06 0.81 0.06 0.00 -0.96 0.00 0.00 56.93 56.78 3m75 s PHE 133 Cb 0.01 -4.06 -0.07 0.00 -0.34 0.00 0.00 43.02 38.56 3m75 s PHE 133 CO 0.10 -3.52 0.02 -1.21 -1.46 0.00 0.00 175.22 169.14 3m75 s GLU 134 N -0.57 1.91 0.28 10.12 2.02 -1.26 -5.00 118.70 126.20 3m75 s GLU 134 Ca 0.63 -2.09 0.01 0.00 0.02 0.00 0.00 54.97 53.54 3m75 s GLU 134 Cb -0.47 -1.49 0.55 0.00 0.10 0.00 0.00 34.13 32.81 3m75 s GLU 134 CO 0.48 -0.09 1.83 0.37 0.02 0.00 0.00 175.26 177.88 3m75 h GLN 135 N 1.82 0.93 0.00 1.61 5.75 -2.01 0.10 115.11 123.31 3m75 h GLN 135 Ca -0.43 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.01 3m75 h GLN 135 Cb 1.24 -0.21 0.00 0.00 1.07 0.00 0.00 27.48 29.58 3m75 h GLN 135 CO 0.79 0.62 0.00 0.36 -2.65 0.00 0.00 178.83 177.94 3m75 n LYS 136 N -4.64 0.09 0.00 1.69 2.85 -1.26 -2.04 118.16 114.84 3m75 n LYS 136 Ca 0.19 0.21 0.15 0.00 -1.05 0.00 0.00 58.31 57.80 3m75 n LYS 136 Cb 0.36 -1.50 0.78 0.00 -0.65 0.00 0.00 35.03 34.02 3m75 n LYS 136 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 3m75 n SER 137 N -1.41 0.34 -4.57 -5.58 7.64 0.36 -4.71 113.62 105.68 3m75 n SER 137 Ca 0.05 -0.85 -0.42 0.00 1.01 0.00 0.00 58.87 58.66 3m75 n SER 137 Cb 0.15 -0.06 -0.01 0.00 -1.01 0.00 0.00 64.21 63.28 3m75 n SER 137 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3m75 s THR 138 N -2.19 4.02 0.14 0.44 2.01 -0.87 -4.78 115.64 114.41 3m75 s THR 138 Ca 0.39 -1.40 0.10 0.00 0.31 0.00 0.00 61.69 61.09 3m75 s THR 138 Cb 0.21 -5.12 -0.04 0.00 0.01 0.00 0.00 72.50 67.56 3m75 s THR 138 CO 0.40 -1.97 -0.20 -1.00 -0.69 0.00 0.00 174.62 171.16 3m75 s HIS 139 N 4.70 2.45 0.56 4.92 3.76 -1.26 -4.88 115.29 125.54 3m75 s HIS 139 Ca 0.51 -0.30 0.26 0.00 -0.15 0.00 0.00 55.06 55.38 3m75 s HIS 139 Cb 0.02 -1.28 1.49 0.00 1.11 0.00 0.00 32.58 33.92 3m75 s HIS 139 CO 0.00 0.41 2.02 -1.35 -0.85 0.00 0.00 174.74 174.98 3m75 h PRO 140 N 3.57 0.00 -0.09 8.40 0.11 -1.92 -1.71 132.00 140.36 3m75 h PRO 140 Ca -0.49 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.64 3m75 h PRO 140 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3m75 h PRO 140 CO 0.46 0.00 0.12 0.66 -0.21 0.00 0.00 178.00 179.02 3m75 h SER 141 N 0.00 0.00 -0.21 -2.05 4.64 -1.94 -1.50 113.55 112.49 3m75 h SER 141 Ca 0.18 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.56 3m75 h SER 141 Cb 0.80 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 3m75 h SER 141 CO -0.00 0.00 0.23 0.15 -0.87 0.00 0.00 176.83 176.34 3m75 h PHE 142 N 0.00 0.00 0.00 4.77 3.57 -1.65 -0.17 116.94 123.46 3m75 h PHE 142 Ca 0.04 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 3m75 h PHE 142 Cb 0.28 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 3m75 h PHE 142 CO 0.00 0.00 -0.01 1.88 -2.23 0.00 0.00 178.31 177.95 3m75 h TYR 143 N 0.00 0.00 0.45 0.41 0.05 -1.49 -2.95 116.97 113.44 3m75 h TYR 143 Ca 0.10 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.86 3m75 h TYR 143 Cb 0.56 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.30 3m75 h TYR 143 CO 0.00 0.01 -0.22 -0.07 -1.05 0.00 0.00 178.16 176.84 3m75 h LEU 144 N 0.00 -0.51 -0.46 3.88 3.38 -1.23 0.57 115.31 120.94 3m75 h LEU 144 Ca -0.00 -0.09 -0.17 0.00 0.09 0.00 0.00 57.88 57.71 3m75 h LEU 144 Cb 0.04 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3m75 h LEU 144 CO 0.00 -0.18 -0.76 1.55 0.09 0.00 0.00 178.44 179.14 3m75 h PRO 145 N -0.87 0.14 0.08 1.13 0.13 -1.74 -1.52 132.00 129.35 3m75 h PRO 145 Ca -0.06 -0.13 -0.26 0.00 -0.87 0.00 0.00 66.00 64.67 3m75 h PRO 145 Cb 0.57 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 3m75 h PRO 145 CO 0.10 0.83 -1.27 0.00 -0.23 0.00 0.00 178.00 177.43 3m75 h ALA 146 N 1.13 0.24 0.00 -0.56 0.00 -1.55 -3.40 119.26 115.13 3m75 h ALA 146 Ca -0.02 -0.98 0.00 0.00 0.00 0.00 0.00 54.91 53.91 3m75 h ALA 146 Cb 1.34 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3m75 h ALA 146 CO 0.11 1.12 0.00 0.28 0.00 0.00 0.00 179.25 180.76 3m75 n VAL 147 N -3.44 0.52 -0.34 0.00 0.31 -0.43 -4.60 118.33 110.36 3m75 n VAL 147 Ca -0.08 0.17 0.01 0.00 -0.01 0.00 0.00 64.34 64.43 3m75 n VAL 147 Cb 1.01 -1.02 0.15 0.00 -0.91 0.00 0.00 33.84 33.07 3m75 n VAL 147 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3m75 h ALA 148 N 0.00 1.28 -0.72 3.52 0.00 -0.95 -1.75 119.26 120.63 3m75 h ALA 148 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3m75 h ALA 148 Cb 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 3m75 h ALA 148 CO 0.00 0.39 0.31 0.00 0.00 0.00 0.00 179.25 179.95 3m75 h ALA 149 N 1.42 1.20 -0.34 0.00 0.00 -1.48 -1.04 119.26 119.01 3m75 h ALA 149 Ca 0.40 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.98 3m75 h ALA 149 Cb 0.14 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3m75 h ALA 149 CO -0.16 0.60 -0.44 -0.91 0.00 0.00 0.00 179.25 178.33 3m75 h ASN 150 N 1.03 0.96 -0.28 0.00 2.35 -1.61 -1.93 115.58 116.12 3m75 h ASN 150 Ca 0.25 -0.47 -0.06 0.00 -0.55 0.00 0.00 56.30 55.47 3m75 h ASN 150 Cb 0.16 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 3m75 h ASN 150 CO -0.03 1.26 -0.02 -0.26 -1.65 0.00 0.00 177.43 176.73 3m75 h PHE 151 N 0.71 0.65 -0.29 1.19 0.04 -1.08 -0.96 116.94 117.20 3m75 h PHE 151 Ca 0.04 -0.08 -0.11 0.00 2.80 0.00 0.00 57.97 60.63 3m75 h PHE 151 Cb 1.03 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 39.00 3m75 h PHE 151 CO 0.06 0.64 -0.24 1.15 -0.60 0.00 0.00 178.31 179.32 3m75 h THR 152 N 0.59 1.30 -0.73 -1.55 2.02 -1.01 -1.84 112.91 111.69 3m75 h THR 152 Ca 0.12 -1.39 0.06 0.00 0.77 0.00 0.00 66.41 65.96 3m75 h THR 152 Cb 0.41 1.56 -0.06 0.00 -1.74 0.00 0.00 68.15 68.32 3m75 h THR 152 CO 0.02 0.45 0.43 0.28 0.37 0.00 0.00 175.52 177.06 3m75 h SER 153 N 0.42 0.66 -0.05 4.18 0.02 -1.17 -0.56 113.55 117.05 3m75 h SER 153 Ca 0.05 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.04 3m75 h SER 153 Cb 0.80 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.21 3m75 h SER 153 CO 0.06 0.43 -0.04 0.00 -1.14 0.00 0.00 176.83 176.14 3m75 h ALA 154 N 1.36 0.00 -0.44 3.77 0.00 -0.83 0.69 119.26 123.81 3m75 h ALA 154 Ca 0.32 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 3m75 h ALA 154 Cb 0.16 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3m75 h ALA 154 CO -0.17 -0.52 0.17 0.77 0.00 0.00 0.00 179.25 179.50 3m75 h SER 155 N -0.05 0.62 -0.58 0.00 0.02 -1.21 -1.89 113.55 110.47 3m75 h SER 155 Ca 0.04 -0.18 -0.10 0.00 -0.84 0.00 0.00 61.79 60.71 3m75 h SER 155 Cb 0.10 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 3m75 h SER 155 CO -0.08 0.63 -0.04 0.28 -1.14 0.00 0.00 176.83 176.48 3m75 h SER 156 N 0.58 1.03 -0.23 3.07 0.02 -0.93 -1.79 113.55 115.29 3m75 h SER 156 Ca 0.15 -0.32 -0.10 0.00 -0.84 0.00 0.00 61.79 60.67 3m75 h SER 156 Cb 0.21 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 3m75 h SER 156 CO -0.01 1.10 -0.21 -0.07 -1.14 0.00 0.00 176.83 176.51 3m75 h LEU 157 N 0.93 0.69 -1.03 5.07 3.38 -0.82 -2.48 115.31 121.05 3m75 h LEU 157 Ca 0.16 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3m75 h LEU 157 Cb 0.60 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 3m75 h LEU 157 CO 0.04 0.89 0.30 0.00 0.09 0.00 0.00 178.44 179.75 3m75 h ALA 158 N 1.17 1.24 -0.79 1.53 0.00 -1.14 -0.02 119.26 121.24 3m75 h ALA 158 Ca 0.09 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.88 3m75 h ALA 158 Cb 0.68 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 3m75 h ALA 158 CO 0.05 0.57 0.52 1.25 0.00 0.00 0.00 179.25 181.64 3m75 h LEU 159 N 0.98 0.83 -0.04 0.00 5.85 -0.89 -0.73 115.31 121.31 3m75 h LEU 159 Ca 0.23 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3m75 h LEU 159 Cb 0.15 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.99 3m75 h LEU 159 CO -0.03 0.57 -0.01 0.18 -0.34 0.00 0.00 178.44 178.81 3m75 n LEU 160 N -4.45 0.08 0.00 2.25 4.77 -0.75 -4.90 117.00 114.01 3m75 n LEU 160 Ca 0.10 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 3m75 n LEU 160 Cb 0.13 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 3m75 n LEU 160 CO 0.35 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 3m75 n GLY 161 N 1.19 0.77 2.87 -0.72 0.00 -0.28 -5.01 105.19 104.01 3m75 n GLY 161 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3m75 n GLY 161 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3m75 n TYR 162 N -2.11 2.46 -0.15 1.61 4.01 -0.10 -4.83 117.16 118.06 3m75 n TYR 162 Ca 0.00 -2.61 -0.10 0.00 -0.16 0.00 0.00 57.90 55.04 3m75 n TYR 162 Cb 0.00 -1.38 -0.01 0.00 -0.31 0.00 0.00 39.34 37.65 3m75 n TYR 162 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3m75 h HIS 163 N 5.14 0.76 -0.44 -0.72 3.86 -1.85 -0.03 115.15 121.86 3m75 h HIS 163 Ca 0.34 -0.10 -0.13 0.00 -1.16 0.00 0.00 60.37 59.32 3m75 h HIS 163 Cb 0.53 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 3m75 h HIS 163 CO 1.16 0.72 -0.22 -0.44 0.86 0.00 0.00 177.93 180.01 3m75 h ASP 164 N 0.57 0.92 -0.79 2.45 3.32 -1.97 -0.17 116.42 120.75 3m75 h ASP 164 Ca 0.13 -0.34 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 3m75 h ASP 164 Cb 0.37 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 3m75 h ASP 164 CO 0.01 1.10 0.46 0.25 -1.72 0.00 0.00 179.24 179.34 3m75 h LEU 165 N 0.78 0.97 -1.01 1.55 5.85 -1.94 -2.26 115.31 119.25 3m75 h LEU 165 Ca 0.10 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.80 3m75 h LEU 165 Cb 0.78 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.50 3m75 h LEU 165 CO 0.06 0.76 0.65 1.23 -0.34 0.00 0.00 178.44 180.81 3m75 h GLY 166 N 1.09 1.50 1.57 3.75 0.00 -0.38 -2.13 103.07 108.47 3m75 h GLY 166 Ca 0.28 -0.49 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 3m75 h GLY 166 CO -0.05 0.38 0.01 -0.97 0.00 0.00 0.00 176.54 175.91 3m75 h TYR 167 N 1.23 0.55 -0.07 5.60 -1.99 -0.47 0.76 116.97 122.59 3m75 h TYR 167 Ca 0.42 -0.05 -0.00 0.00 2.00 0.00 0.00 58.73 61.09 3m75 h TYR 167 Cb 0.08 -0.16 -0.00 0.00 2.00 0.00 0.00 36.73 38.65 3m75 h TYR 167 CO -0.00 0.54 0.04 -0.07 -0.00 0.00 0.00 178.16 178.67 3m75 h LEU 168 N 0.52 0.09 -0.98 3.88 3.38 -1.06 0.33 115.31 121.47 3m75 h LEU 168 Ca 0.11 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 3m75 h LEU 168 Cb 0.32 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3m75 h LEU 168 CO 0.01 0.13 -0.03 -0.26 0.09 0.00 0.00 178.44 178.38 3m75 h PHE 169 N 0.04 0.76 -0.30 1.13 0.04 -1.15 -1.58 116.94 115.88 3m75 h PHE 169 Ca 0.03 -0.11 0.01 0.00 2.80 0.00 0.00 57.97 60.70 3m75 h PHE 169 Cb 0.06 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 37.98 3m75 h PHE 169 CO -0.05 0.73 0.19 0.35 -0.60 0.00 0.00 178.31 178.92 3m75 h PHE 170 N 0.67 0.35 -0.64 -0.55 3.57 -0.60 -1.45 116.94 118.29 3m75 h PHE 170 Ca 0.13 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 3m75 h PHE 170 Cb 0.45 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 3m75 h PHE 170 CO 0.02 0.21 0.28 0.78 -2.23 0.00 0.00 178.31 177.37 3m75 h GLY 171 N 0.38 1.01 0.71 2.40 0.00 -0.63 0.71 103.07 107.65 3m75 h GLY 171 Ca 0.11 -0.53 0.04 0.00 0.00 0.00 0.00 47.33 46.95 3m75 h GLY 171 CO -0.04 0.50 0.19 0.00 0.00 0.00 0.00 176.54 177.19 3m75 h ALA 172 N 1.12 0.53 -0.35 3.60 0.00 -1.08 -1.39 119.26 121.68 3m75 h ALA 172 Ca 0.22 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 3m75 h ALA 172 Cb 0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3m75 h ALA 172 CO -0.02 -0.18 -0.16 0.78 0.00 0.00 0.00 179.25 179.66 3m75 h GLY 173 N 0.38 0.79 0.75 0.00 0.00 -0.80 -1.36 103.07 102.84 3m75 h GLY 173 Ca 0.19 -0.71 -0.02 0.00 0.00 0.00 0.00 47.33 46.79 3m75 h GLY 173 CO -0.16 0.64 -0.01 1.98 0.00 0.00 0.00 176.54 179.00 3m75 h MET 174 N 0.51 0.20 -0.46 4.80 -1.53 -0.72 -1.23 114.93 116.50 3m75 h MET 174 Ca 0.08 -0.07 -0.14 0.00 -3.44 0.00 0.00 59.70 56.13 3m75 h MET 174 Cb 0.70 -0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 31.72 3m75 h MET 174 CO 0.05 0.46 -0.27 0.82 0.14 0.00 0.00 176.91 178.12 3m75 h ILE 175 N -0.09 1.27 -0.75 1.77 2.04 -1.33 -2.51 117.51 117.92 3m75 h ILE 175 Ca 0.03 -1.44 0.05 0.00 1.00 0.00 0.00 64.86 64.51 3m75 h ILE 175 Cb 0.38 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.61 3m75 h ILE 175 CO 0.01 0.49 0.49 0.00 0.00 0.00 0.00 178.15 179.14 3m75 h ALA 176 N 0.84 1.62 0.53 1.87 0.00 -1.15 -0.62 119.26 122.36 3m75 h ALA 176 Ca 0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3m75 h ALA 176 Cb 0.85 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.42 3m75 h ALA 176 CO 0.08 0.28 -0.25 2.35 0.00 0.00 0.00 179.25 181.70 3m75 h TRP 177 N 0.85 -0.66 0.00 0.00 7.01 -0.98 -1.40 115.95 120.76 3m75 h TRP 177 Ca 0.31 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.30 3m75 h TRP 177 Cb 0.16 0.22 0.00 0.00 -2.10 0.00 0.00 29.16 27.44 3m75 h TRP 177 CO -0.00 -0.38 0.00 0.44 -2.79 0.00 0.00 178.44 175.71 3m75 n ILE 178 N -5.37 0.73 0.05 2.65 -5.35 -0.97 -0.96 119.36 110.16 3m75 n ILE 178 Ca -0.12 0.11 -0.05 0.00 -0.27 0.00 0.00 62.75 62.42 3m75 n ILE 178 Cb 0.31 -0.94 -0.09 0.00 -1.74 0.00 0.00 39.64 37.17 3m75 n ILE 178 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 3m75 h ILE 179 N 0.00 1.22 0.09 7.28 2.04 -0.91 -3.40 117.51 123.83 3m75 h ILE 179 Ca 0.00 -2.88 -0.34 0.00 1.00 0.00 0.00 64.86 62.64 3m75 h ILE 179 Cb 0.43 2.58 -0.02 0.00 -0.74 0.00 0.00 36.82 39.07 3m75 h ILE 179 CO 0.00 0.70 -1.88 0.33 0.00 0.00 0.00 178.15 177.30 3m75 n PHE 180 N -3.20 1.12 -0.29 1.37 7.35 -0.55 -4.47 117.46 118.79 3m75 n PHE 180 Ca -0.05 0.28 0.12 0.00 -0.76 0.00 0.00 57.45 57.05 3m75 n PHE 180 Cb 0.92 -1.14 0.36 0.00 0.35 0.00 0.00 39.48 39.97 3m75 n PHE 180 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 3m75 h GLU 181 N -0.18 0.71 -0.76 -4.13 4.81 -1.25 -2.03 114.58 111.74 3m75 h GLU 181 Ca -0.42 -0.04 0.09 0.00 -0.13 0.00 0.00 59.36 58.85 3m75 h GLU 181 Cb 1.87 -0.16 -0.07 0.00 0.63 0.00 0.00 28.75 31.02 3m75 h GLU 181 CO 0.00 0.47 0.42 -1.35 -0.73 0.00 0.00 179.01 177.82 3m75 h PRO 182 N 0.73 0.70 0.00 0.92 0.11 -1.78 -0.66 132.00 132.01 3m75 h PRO 182 Ca 0.48 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 66.37 3m75 h PRO 182 Cb 0.75 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.68 3m75 h PRO 182 CO -0.24 0.46 -0.83 -0.39 -0.21 0.00 0.00 178.00 176.79 3m75 h VAL 183 N 0.72 1.59 0.07 3.15 -1.51 -1.65 -2.69 116.25 115.94 3m75 h VAL 183 Ca 0.36 -2.85 -0.00 0.00 -1.23 0.00 0.00 66.70 62.98 3m75 h VAL 183 Cb 0.33 2.54 0.00 0.00 -2.13 0.00 0.00 31.29 32.03 3m75 h VAL 183 CO -0.24 0.81 -0.04 0.25 -1.23 0.00 0.00 177.57 177.13 3m75 h LEU 184 N 0.00 -0.08 -0.94 4.19 5.85 -1.05 -1.69 115.31 121.58 3m75 h LEU 184 Ca -0.01 -0.14 -0.10 0.00 0.84 0.00 0.00 57.88 58.48 3m75 h LEU 184 Cb 1.47 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 3m75 h LEU 184 CO 0.11 0.08 -0.32 -0.07 -0.34 0.00 0.00 178.44 177.91 3m75 h LEU 185 N -0.25 0.39 -0.65 2.25 3.38 -1.14 0.17 115.31 119.47 3m75 h LEU 185 Ca -0.01 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 3m75 h LEU 185 Cb 0.21 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3m75 h LEU 185 CO 0.02 0.70 0.24 -0.61 0.09 0.00 0.00 178.44 178.88 3m75 h GLN 186 N 0.34 0.98 -0.42 1.13 5.75 -1.47 -0.50 115.11 120.92 3m75 h GLN 186 Ca 0.04 -0.19 -0.01 0.00 -0.15 0.00 0.00 58.65 58.34 3m75 h GLN 186 Cb 0.73 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 29.10 3m75 h GLN 186 CO 0.06 0.83 0.21 1.25 -2.65 0.00 0.00 178.83 178.53 3m75 h HIS 187 N 0.92 0.59 -0.89 3.99 2.76 -0.77 -2.11 115.15 119.64 3m75 h HIS 187 Ca 0.21 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.36 3m75 h HIS 187 Cb 0.23 -0.18 -0.04 0.00 1.55 0.00 0.00 27.41 28.97 3m75 h HIS 187 CO 0.02 0.47 0.53 -0.07 -1.30 0.00 0.00 177.93 177.58 3m75 h LEU 188 N 0.53 1.07 -0.77 0.26 3.38 -0.74 0.16 115.31 119.20 3m75 h LEU 188 Ca 0.14 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3m75 h LEU 188 Cb 0.09 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 3m75 h LEU 188 CO -0.02 0.82 0.49 0.03 0.09 0.00 0.00 178.44 179.85 3m75 h ARG 189 N 1.22 1.02 0.06 1.13 3.08 -0.79 -1.47 114.38 118.63 3m75 h ARG 189 Ca 0.32 -0.08 -0.18 0.00 0.07 0.00 0.00 59.98 60.11 3m75 h ARG 189 Cb -0.05 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.77 3m75 h ARG 189 CO -0.06 0.70 -0.94 0.82 -1.07 0.00 0.00 179.97 179.41 3m75 h ILE 190 N 1.04 1.26 0.00 2.04 2.04 -1.05 -3.43 117.51 119.41 3m75 h ILE 190 Ca 0.28 -2.35 -0.01 0.00 1.00 0.00 0.00 64.86 63.78 3m75 h ILE 190 Cb -0.08 2.83 -0.00 0.00 -0.74 0.00 0.00 36.82 38.83 3m75 h ILE 190 CO -0.06 0.59 -1.05 -1.20 0.00 0.00 0.00 178.15 176.43 3m75 n SER 191 N -4.24 4.79 0.00 1.72 7.64 0.47 -5.11 113.62 118.89 3m75 n SER 191 Ca -0.21 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.67 3m75 n SER 191 Cb 0.73 0.81 0.00 0.00 -1.01 0.00 0.00 64.21 64.74 3m75 n SER 191 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3m75 n SER 192 N -1.76 -1.87 -4.37 6.43 2.88 -0.55 -4.78 113.62 109.59 3m75 n SER 192 Ca -0.01 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.23 3m75 n SER 192 Cb 0.25 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.57 3m75 n SER 192 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3m75 s LEU 193 N 0.00 2.28 0.56 2.46 1.02 -1.26 -4.75 118.68 118.98 3m75 s LEU 193 Ca 0.00 -0.55 -0.21 0.00 0.02 0.00 0.00 54.13 53.39 3m75 s LEU 193 Cb 0.00 -1.35 -0.05 0.00 0.02 0.00 0.00 46.19 44.82 3m75 s LEU 193 CO 0.00 0.26 1.32 -0.62 0.02 0.00 0.00 176.35 177.33 3m75 n GLU 194 N 1.73 1.57 -0.12 1.70 1.02 -1.26 -4.79 120.64 120.49 3m75 n GLU 194 Ca -0.17 0.58 0.21 0.00 -0.02 0.00 0.00 57.16 57.76 3m75 n GLU 194 Cb 0.52 -2.53 0.63 0.00 -0.02 0.00 0.00 31.44 30.04 3m75 n GLU 194 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3m75 h PRO 195 N 1.27 0.15 0.00 3.49 0.11 -1.99 0.26 132.00 135.29 3m75 h PRO 195 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3m75 h PRO 195 Cb 1.31 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3m75 h PRO 195 CO 0.56 0.10 0.00 -0.56 -0.21 0.00 0.00 178.00 177.89 3m75 h GLN 196 N 0.16 0.00 -0.01 1.05 -0.00 -1.99 -1.46 115.11 112.85 3m75 h GLN 196 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.00 3m75 h GLN 196 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.64 3m75 h GLN 196 CO -0.06 0.00 -0.15 1.19 -0.00 0.00 0.00 178.83 179.81 3m75 n PHE 197 N -2.57 0.00 0.21 0.06 3.72 0.87 -4.75 117.46 115.00 3m75 n PHE 197 Ca -0.00 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.46 3m75 n PHE 197 Cb 0.17 0.00 0.48 0.00 -0.94 0.00 0.00 39.48 39.18 3m75 n PHE 197 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3m75 h ARG 198 N 1.66 0.00 0.00 -1.08 2.43 -0.93 -1.30 114.38 115.16 3m75 h ARG 198 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3m75 h ARG 198 Cb 0.43 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.98 3m75 h ARG 198 CO 0.00 0.27 -0.02 0.00 -1.51 0.00 0.00 179.97 178.71 3m75 h ALA 199 N 1.73 1.64 0.00 2.80 0.00 -1.79 -0.49 119.26 123.15 3m75 h ALA 199 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3m75 h ALA 199 Cb 0.54 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3m75 h ALA 199 CO 0.04 0.03 0.00 0.25 0.00 0.00 0.00 179.25 179.56 3m75 n THR 200 N -4.04 1.00 0.14 0.00 -2.24 -0.49 -1.34 114.28 107.30 3m75 n THR 200 Ca -0.03 0.25 0.19 0.00 -2.27 0.00 0.00 64.05 62.19 3m75 n THR 200 Cb 0.11 -1.00 0.78 0.00 -2.10 0.00 0.00 70.33 68.11 3m75 n THR 200 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 3m75 h MET 201 N 0.00 0.00 -0.04 -0.78 2.07 -1.23 -0.62 114.93 114.32 3m75 h MET 201 Ca 0.00 0.00 0.01 0.00 -2.07 0.00 0.00 59.70 57.64 3m75 h MET 201 Cb 0.25 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 29.98 3m75 h MET 201 CO 0.00 0.00 0.04 0.78 1.07 0.00 0.00 176.91 178.80 3m75 h GLY 202 N 0.00 0.00 2.00 8.32 0.00 -1.42 -0.58 103.07 111.40 3m75 h GLY 202 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.46 3m75 h GLY 202 CO -0.00 0.00 -0.10 -2.22 0.00 0.00 0.00 176.54 174.22 3m75 h ILE 203 N 0.00 0.44 0.00 2.60 2.04 -1.20 -2.16 117.51 119.22 3m75 h ILE 203 Ca 0.02 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 3m75 h ILE 203 Cb 0.09 1.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.52 3m75 h ILE 203 CO -0.00 0.10 -0.03 0.58 0.00 0.00 0.00 178.15 178.80 3m75 h VAL 204 N 0.00 0.55 0.00 1.67 2.07 -1.25 -1.05 116.25 118.25 3m75 h VAL 204 Ca -0.00 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.33 3m75 h VAL 204 Cb 0.34 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3m75 h VAL 204 CO 0.01 0.03 -0.29 0.25 0.02 0.00 0.00 177.57 177.59 3m75 h LEU 205 N 0.00 0.00 -0.07 2.57 5.85 -1.53 -3.37 115.31 118.76 3m75 h LEU 205 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3m75 h LEU 205 Cb 0.08 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 3m75 h LEU 205 CO 0.00 0.29 -0.00 0.00 -0.34 0.00 0.00 178.44 178.39 3m75 h ALA 206 N 1.71 0.10 -0.25 1.25 0.00 -1.33 -3.39 119.26 117.34 3m75 h ALA 206 Ca -0.00 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.79 3m75 h ALA 206 Cb 0.57 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 3m75 h ALA 206 CO 0.04 -0.22 -0.34 -1.35 0.00 0.00 0.00 179.25 177.38 3m75 h PRO 207 N -0.17 -0.33 -0.64 0.00 0.11 -1.73 0.73 132.00 129.96 3m75 h PRO 207 Ca 0.02 0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.12 3m75 h PRO 207 Cb 0.35 0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.51 3m75 h PRO 207 CO 0.00 -0.22 0.25 0.00 -0.21 0.00 0.00 178.00 177.83 3m75 h ALA 208 N 0.52 1.24 -0.07 -0.75 0.00 -1.89 0.71 119.26 119.03 3m75 h ALA 208 Ca 0.13 -0.17 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 3m75 h ALA 208 Cb 0.55 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.10 3m75 h ALA 208 CO -0.44 0.56 -0.69 0.74 0.00 0.00 0.00 179.25 179.41 3m75 h PHE 209 N 0.93 0.83 -0.64 0.00 0.04 -1.56 -1.05 116.94 115.48 3m75 h PHE 209 Ca 0.22 -0.40 -0.06 0.00 2.80 0.00 0.00 57.97 60.52 3m75 h PHE 209 Cb 0.18 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 38.19 3m75 h PHE 209 CO 0.01 1.21 0.15 -0.39 -0.60 0.00 0.00 178.31 178.70 3m75 h VAL 210 N 0.21 1.25 0.39 -0.55 -1.51 -0.80 -1.14 116.25 114.09 3m75 h VAL 210 Ca -0.07 -0.93 -0.01 0.00 -1.23 0.00 0.00 66.70 64.46 3m75 h VAL 210 Cb 1.35 0.59 -0.00 0.00 -2.13 0.00 0.00 31.29 31.11 3m75 h VAL 210 CO 0.14 0.35 -0.23 0.00 -1.23 0.00 0.00 177.57 176.61 3m75 h VAL 212 N -0.58 1.28 -0.18 0.00 3.04 -1.11 -0.08 116.25 118.62 3m75 h VAL 212 Ca -0.04 -1.33 -0.01 0.00 -1.01 0.00 0.00 66.70 64.31 3m75 h VAL 212 Cb 0.47 1.53 -0.01 0.00 -2.01 0.00 0.00 31.29 31.27 3m75 h VAL 212 CO 0.05 0.40 0.09 -1.28 -1.01 0.00 0.00 177.57 175.83 3m75 h SER 213 N 0.25 0.23 -0.63 3.17 0.87 -1.09 -0.31 113.55 116.05 3m75 h SER 213 Ca 0.03 -0.11 -0.04 0.00 -1.23 0.00 0.00 61.79 60.45 3m75 h SER 213 Cb 0.70 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.58 3m75 h SER 213 CO 0.05 0.27 0.24 0.00 -0.53 0.00 0.00 176.83 176.87 3m75 h ALA 214 N 0.96 0.82 -0.17 6.23 0.00 -0.86 -1.62 119.26 124.62 3m75 h ALA 214 Ca 0.06 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3m75 h ALA 214 Cb 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3m75 h ALA 214 CO -0.01 0.44 0.10 -0.92 0.00 0.00 0.00 179.25 178.86 3m75 h TYR 215 N 0.88 0.18 0.00 0.00 3.20 -0.77 -1.62 116.97 118.84 3m75 h TYR 215 Ca 0.21 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.03 3m75 h TYR 215 Cb 0.22 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 3m75 h TYR 215 CO 0.01 0.11 -0.25 -0.07 -1.64 0.00 0.00 178.16 176.33 3m75 h LEU 216 N 0.20 0.00 -0.52 2.82 3.38 -0.92 -0.18 115.31 120.09 3m75 h LEU 216 Ca 0.07 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.89 3m75 h LEU 216 Cb -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3m75 h LEU 216 CO -0.03 0.25 -0.38 0.28 0.09 0.00 0.00 178.44 178.64 3m75 h SER 217 N 0.00 0.83 0.81 -0.43 0.02 -0.62 0.12 113.55 114.28 3m75 h SER 217 Ca -0.00 -0.37 -0.24 0.00 -0.84 0.00 0.00 61.79 60.34 3m75 h SER 217 Cb 0.54 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.81 3m75 h SER 217 CO 0.03 1.11 -1.27 0.40 -1.14 0.00 0.00 176.83 175.97 3m75 h ILE 218 N 0.64 1.39 -0.53 3.27 2.04 -0.73 -3.35 117.51 120.24 3m75 h ILE 218 Ca 0.06 -3.15 -0.01 0.00 1.00 0.00 0.00 64.86 62.76 3m75 h ILE 218 Cb 0.93 2.69 -0.00 0.00 -0.74 0.00 0.00 36.82 39.70 3m75 h ILE 218 CO 0.09 0.79 0.01 -0.46 0.00 0.00 0.00 178.15 178.57 3m75 n ASN 219 N -3.24 5.35 -1.04 1.72 6.94 -0.13 -4.90 115.26 119.96 3m75 n ASN 219 Ca -0.06 -2.87 -0.09 0.00 -0.02 0.00 0.00 54.58 51.54 3m75 n ASN 219 Cb 0.98 -0.68 -0.01 0.00 -2.36 0.00 0.00 39.78 37.72 3m75 n ASN 219 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 3m75 n HIS 220 N 0.55 -0.42 -1.21 -2.53 8.25 -1.18 -3.19 115.22 115.49 3m75 n HIS 220 Ca 0.26 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.65 3m75 n HIS 220 Cb 1.13 -2.30 -0.03 0.00 1.12 0.00 0.00 29.99 29.92 3m75 n HIS 220 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3m75 n GLY 221 N -1.04 0.93 3.61 -1.41 0.00 0.41 -4.98 105.19 102.71 3m75 n GLY 221 Ca -0.11 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 3m75 n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3m75 s GLU 222 N -2.46 3.69 -0.75 1.61 2.12 -1.19 -4.85 118.70 116.86 3m75 s GLU 222 Ca 0.00 0.89 -0.24 0.00 0.36 0.00 0.00 54.97 55.97 3m75 s GLU 222 Cb 0.00 -3.95 0.06 0.00 0.26 0.00 0.00 34.13 30.49 3m75 s GLU 222 CO 0.00 -1.41 1.16 0.08 -0.54 0.00 0.00 175.26 174.55 3m75 s VAL 223 N 4.90 4.05 0.00 3.70 1.01 -1.26 -4.89 120.40 127.91 3m75 s VAL 223 Ca 0.56 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.38 3m75 s VAL 223 Cb -0.12 -4.83 0.00 0.00 0.00 0.00 0.00 36.38 31.43 3m75 s VAL 223 CO 0.30 -1.68 0.00 -0.90 0.00 0.00 0.00 175.10 172.82 3m75 n ASP 224 N 8.47 1.58 -0.13 3.32 5.68 -1.26 -4.94 116.55 129.26 3m75 n ASP 224 Ca 0.05 -0.76 -0.08 0.00 -0.50 0.00 0.00 54.79 53.49 3m75 n ASP 224 Cb 0.48 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 3m75 n ASP 224 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 3m75 h THR 225 N 0.60 1.12 -0.52 2.12 2.02 -2.00 -1.98 112.91 114.28 3m75 h THR 225 Ca 0.00 -0.25 0.04 0.00 0.77 0.00 0.00 66.41 66.97 3m75 h THR 225 Cb 0.00 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 66.92 3m75 h THR 225 CO 0.00 0.12 0.28 0.25 0.37 0.00 0.00 175.52 176.54 3m75 h LEU 226 N 0.55 0.42 -0.51 2.58 5.85 -1.97 -0.59 115.31 121.65 3m75 h LEU 226 Ca 0.15 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.92 3m75 h LEU 226 Cb -0.03 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 3m75 h LEU 226 CO -0.03 0.29 0.29 0.00 -0.34 0.00 0.00 178.44 178.66 3m75 h ALA 227 N 1.26 0.65 -0.65 1.25 0.00 -1.81 -1.24 119.26 118.72 3m75 h ALA 227 Ca 0.22 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 3m75 h ALA 227 Cb 0.09 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3m75 h ALA 227 CO -0.13 -0.02 0.27 0.87 0.00 0.00 0.00 179.25 180.24 3m75 h LYS 228 N 0.58 0.96 -0.47 0.00 1.57 -0.97 -1.59 116.57 116.64 3m75 h LYS 228 Ca 0.21 -0.17 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 3m75 h LYS 228 Cb 0.05 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 3m75 h LYS 228 CO -0.11 0.80 0.29 0.82 -0.57 0.00 0.00 179.45 180.67 3m75 h ILE 229 N 0.91 1.06 -0.46 1.86 2.04 -0.68 -1.31 117.51 120.92 3m75 h ILE 229 Ca 0.22 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 3m75 h ILE 229 Cb 0.18 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 3m75 h ILE 229 CO -0.02 0.10 0.17 -0.07 0.00 0.00 0.00 178.15 178.33 3m75 h LEU 230 N 0.57 0.65 -1.11 1.44 3.38 -1.05 -2.31 115.31 116.89 3m75 h LEU 230 Ca 0.19 -0.19 0.08 0.00 0.09 0.00 0.00 57.88 58.05 3m75 h LEU 230 Cb 0.00 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.52 3m75 h LEU 230 CO -0.08 0.66 0.61 -0.50 0.09 0.00 0.00 178.44 179.22 3m75 h TRP 231 N 0.60 1.08 -0.15 1.13 4.06 -0.99 -0.54 115.95 121.14 3m75 h TRP 231 Ca 0.15 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 61.12 3m75 h TRP 231 Cb 0.23 -0.35 -0.01 0.00 -1.00 0.00 0.00 29.16 28.03 3m75 h TRP 231 CO 0.01 0.53 0.07 0.78 -3.56 0.00 0.00 178.44 176.27 3m75 h GLY 232 N 1.03 0.24 1.31 1.49 0.00 -0.70 -0.04 103.07 106.41 3m75 h GLY 232 Ca 0.42 -0.12 -0.09 0.00 0.00 0.00 0.00 47.33 47.53 3m75 h GLY 232 CO -0.17 0.12 -0.08 -1.82 0.00 0.00 0.00 176.54 174.58 3m75 h TYR 233 N 0.11 0.90 -0.58 5.60 3.20 -1.31 -1.74 116.97 123.15 3m75 h TYR 233 Ca 0.05 -0.16 0.06 0.00 3.14 0.00 0.00 58.73 61.82 3m75 h TYR 233 Cb 0.14 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.12 3m75 h TYR 233 CO -0.02 0.87 0.28 0.78 -1.64 0.00 0.00 178.16 178.43 3m75 h GLY 234 N 0.98 0.82 1.53 1.82 0.00 -0.68 -1.39 103.07 106.16 3m75 h GLY 234 Ca 0.13 -0.19 -0.15 0.00 0.00 0.00 0.00 47.33 47.12 3m75 h GLY 234 CO 0.04 0.09 -0.53 0.74 0.00 0.00 0.00 176.54 176.88 3m75 h PHE 235 N 0.53 0.61 -0.36 5.60 0.04 -0.84 -0.77 116.94 121.76 3m75 h PHE 235 Ca 0.27 -0.21 0.05 0.00 2.80 0.00 0.00 57.97 60.88 3m75 h PHE 235 Cb 0.21 -0.12 -0.05 0.00 2.20 0.00 0.00 35.95 38.19 3m75 h PHE 235 CO -0.11 0.92 0.08 1.25 -0.60 0.00 0.00 178.31 179.85 3m75 h LEU 236 N 0.38 0.04 -0.84 1.54 5.85 -0.87 -0.71 115.31 120.69 3m75 h LEU 236 Ca 0.01 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 3m75 h LEU 236 Cb 1.06 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 3m75 h LEU 236 CO 0.10 0.06 0.12 1.56 -0.34 0.00 0.00 178.44 179.93 3m75 h GLN 237 N 0.21 0.98 -0.26 1.25 1.08 -1.02 -1.14 115.11 116.21 3m75 h GLN 237 Ca 0.17 -0.24 0.04 0.00 -1.45 0.00 0.00 58.65 57.17 3m75 h GLN 237 Cb 0.18 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 27.45 3m75 h GLN 237 CO -0.21 0.89 0.03 1.25 -0.95 0.00 0.00 178.83 179.84 3m75 h LEU 238 N 0.93 -0.03 -0.66 1.46 5.85 -0.65 -0.10 115.31 122.10 3m75 h LEU 238 Ca 0.19 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 3m75 h LEU 238 Cb 0.38 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 3m75 h LEU 238 CO 0.01 0.02 0.38 -0.26 -0.34 0.00 0.00 178.44 178.25 3m75 h PHE 239 N 0.12 0.88 -0.49 1.25 0.04 -0.71 0.85 116.94 118.88 3m75 h PHE 239 Ca 0.12 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.89 3m75 h PHE 239 Cb 0.13 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 37.97 3m75 h PHE 239 CO -0.17 0.61 0.32 0.74 -0.60 0.00 0.00 178.31 179.21 3m75 h PHE 240 N 0.90 0.61 -0.04 -0.55 -1.00 -0.88 -1.99 116.94 113.99 3m75 h PHE 240 Ca 0.23 0.01 -0.14 0.00 2.81 0.00 0.00 57.97 60.89 3m75 h PHE 240 Cb -0.00 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.34 3m75 h PHE 240 CO -0.01 0.38 -0.59 -0.07 -1.61 0.00 0.00 178.31 176.41 3m75 h LEU 241 N 0.66 0.16 -0.38 1.54 3.38 -0.46 -1.57 115.31 118.64 3m75 h LEU 241 Ca 0.18 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3m75 h LEU 241 Cb -0.06 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3m75 h LEU 241 CO -0.05 0.72 0.19 -0.07 0.09 0.00 0.00 178.44 179.32 3m75 h LEU 242 N 0.11 0.49 -1.17 1.67 3.38 -0.63 -0.83 115.31 118.33 3m75 h LEU 242 Ca -0.01 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3m75 h LEU 242 Cb 1.07 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 3m75 h LEU 242 CO 0.09 0.47 0.22 -0.09 0.09 0.00 0.00 178.44 179.22 3m75 h ARG 243 N 0.48 0.80 -0.00 1.13 1.12 -1.09 -2.36 114.38 114.45 3m75 h ARG 243 Ca 0.13 -0.12 0.00 0.00 -1.11 0.00 0.00 59.98 58.88 3m75 h ARG 243 Cb 0.10 -0.14 0.00 0.00 -0.01 0.00 0.00 29.97 29.92 3m75 h ARG 243 CO -0.02 0.66 -0.01 1.28 -3.11 0.00 0.00 179.97 178.77 3m75 n LEU 244 N -4.33 0.01 -0.21 3.80 4.77 -0.62 -4.36 117.00 116.06 3m75 n LEU 244 Ca 0.05 0.40 -0.06 0.00 -0.03 0.00 0.00 56.01 56.36 3m75 n LEU 244 Cb 0.16 -0.40 0.04 0.00 -2.33 0.00 0.00 43.42 40.88 3m75 n LEU 244 CO 0.38 0.00 1.09 0.15 -1.33 0.00 0.00 177.39 177.69 3m75 h PHE 245 N 0.01 0.80 -0.94 -1.77 3.57 -0.60 -0.37 116.94 117.64 3m75 h PHE 245 Ca 0.00 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.58 3m75 h PHE 245 Cb 0.41 -0.26 -0.07 0.00 2.79 0.00 0.00 35.95 38.82 3m75 h PHE 245 CO 0.00 0.54 0.61 -1.35 -2.23 0.00 0.00 178.31 175.88 3m75 h PRO 246 N 0.82 1.01 -0.55 6.41 0.11 -1.80 -0.43 132.00 137.57 3m75 h PRO 246 Ca 0.22 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 66.17 3m75 h PRO 246 Cb -0.02 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 30.84 3m75 h PRO 246 CO -0.04 0.67 -0.02 2.35 -0.21 0.00 0.00 178.00 180.75 3m75 h TRP 247 N 1.04 1.08 -0.93 0.65 7.01 -1.63 -2.19 115.95 120.98 3m75 h TRP 247 Ca 0.42 -0.19 0.03 0.00 2.11 0.00 0.00 58.89 61.26 3m75 h TRP 247 Cb 0.26 -0.28 -0.05 0.00 -2.10 0.00 0.00 29.16 26.99 3m75 h TRP 247 CO -0.00 0.98 0.61 0.82 -2.79 0.00 0.00 178.44 178.06 3m75 h ILE 248 N 0.86 1.16 -0.74 2.65 2.04 0.46 -2.35 117.51 121.60 3m75 h ILE 248 Ca 0.15 -0.41 -0.25 0.00 1.00 0.00 0.00 64.86 65.36 3m75 h ILE 248 Cb 0.56 -0.12 -0.15 0.00 -0.74 0.00 0.00 36.82 36.37 3m75 h ILE 248 CO 0.03 0.22 0.30 1.33 0.00 0.00 0.00 178.15 180.03 3m75 n VAL 249 N -4.49 2.94 -0.27 1.67 0.24 -0.47 -4.52 118.33 113.44 3m75 n VAL 249 Ca 0.12 -1.74 0.08 0.00 -2.04 0.00 0.00 64.34 60.76 3m75 n VAL 249 Cb 0.09 -0.37 0.22 0.00 -1.47 0.00 0.00 33.84 32.31 3m75 n VAL 249 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3m75 h GLU 250 N 2.35 0.27 -0.27 7.34 4.81 -0.82 0.63 114.58 128.88 3m75 h GLU 250 Ca 0.31 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 3m75 h GLU 250 Cb 2.36 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 31.68 3m75 h GLU 250 CO 0.76 0.18 0.00 1.63 -0.73 0.00 0.00 179.01 180.85 3m75 n LYS 251 N -5.15 1.81 0.00 1.92 4.76 -1.26 -5.01 118.16 115.23 3m75 n LYS 251 Ca 0.17 -1.24 0.00 0.00 -2.87 0.00 0.00 58.31 54.37 3m75 n LYS 251 Cb 0.53 -1.35 0.00 0.00 -1.84 0.00 0.00 35.03 32.38 3m75 n LYS 251 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3m75 n GLY 252 N 1.12 2.98 3.75 0.72 0.00 0.21 -5.03 105.19 108.93 3m75 n GLY 252 Ca 0.14 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 3m75 n GLY 252 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m75 s LEU 253 N 0.00 4.49 0.17 0.99 1.43 -1.26 -4.76 118.68 119.74 3m75 s LEU 253 Ca 0.00 2.24 -0.05 0.00 -1.03 0.00 0.00 54.13 55.29 3m75 s LEU 253 Cb 0.00 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.58 3m75 s LEU 253 CO 0.00 -0.28 0.19 0.54 0.23 0.00 0.00 176.35 177.04 3m75 s ASN 254 N -0.27 0.14 0.63 2.29 2.20 -1.26 -5.03 114.94 113.64 3m75 s ASN 254 Ca 0.49 -1.13 0.39 0.00 -0.94 0.00 0.00 52.86 51.68 3m75 s ASN 254 Cb -0.32 0.39 2.16 0.00 -2.00 0.00 0.00 41.25 41.49 3m75 s ASN 254 CO 0.38 -0.85 2.31 -0.29 -2.94 0.00 0.00 177.10 175.71 3m75 h ILE 255 N 2.63 0.19 0.00 0.54 6.09 -1.97 -1.73 117.51 123.27 3m75 h ILE 255 Ca -0.33 -0.05 0.00 0.00 -1.37 0.00 0.00 64.86 63.11 3m75 h ILE 255 Cb 1.23 1.04 0.00 0.00 0.47 0.00 0.00 36.82 39.55 3m75 h ILE 255 CO 0.51 0.01 0.02 1.23 -3.07 0.00 0.00 178.15 176.85 3m75 h GLY 256 N 0.12 0.00 2.00 8.18 0.00 -1.96 -2.20 103.07 109.21 3m75 h GLY 256 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3m75 h GLY 256 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 3m75 n LEU 257 N -2.96 0.47 0.24 3.11 4.77 -0.65 -1.12 117.00 120.86 3m75 n LEU 257 Ca -0.03 0.70 0.14 0.00 -0.03 0.00 0.00 56.01 56.79 3m75 n LEU 257 Cb 0.08 -0.74 0.75 0.00 -2.33 0.00 0.00 43.42 41.18 3m75 n LEU 257 CO 0.18 -0.81 0.97 -0.50 -1.33 0.00 0.00 177.39 175.91 3m75 h TRP 258 N 0.00 0.00 -1.02 -1.77 4.06 -1.65 -1.26 115.95 114.31 3m75 h TRP 258 Ca 0.00 0.00 0.28 0.00 2.06 0.00 0.00 58.89 61.23 3m75 h TRP 258 Cb 0.06 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 28.09 3m75 h TRP 258 CO 0.00 0.00 0.61 0.00 -3.56 0.00 0.00 178.44 175.49 3m75 h ALA 259 N 1.69 1.95 0.00 1.49 0.00 -1.38 -0.40 119.26 122.61 3m75 h ALA 259 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3m75 h ALA 259 Cb 0.26 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3m75 h ALA 259 CO 0.00 -0.45 0.00 0.74 0.00 0.00 0.00 179.25 179.54 3m75 h PHE 260 N 0.47 0.00 0.00 0.00 0.04 -1.40 -3.25 116.94 112.80 3m75 h PHE 260 Ca 0.67 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.40 3m75 h PHE 260 Cb 1.44 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.58 3m75 h PHE 260 CO -0.01 0.00 -0.15 0.66 -0.60 0.00 0.00 178.31 178.21 3m75 h SER 261 N 0.00 0.00 0.45 2.17 4.64 -1.23 -1.00 113.55 118.58 3m75 h SER 261 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3m75 h SER 261 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3m75 h SER 261 CO 0.00 0.15 -0.22 0.58 -0.87 0.00 0.00 176.83 176.47 3m75 h VAL 262 N 0.00 0.52 -0.65 0.95 2.07 -1.71 -0.43 116.25 116.99 3m75 h VAL 262 Ca -0.00 -0.31 -0.05 0.00 0.82 0.00 0.00 66.70 67.16 3m75 h VAL 262 Cb 0.49 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3m75 h VAL 262 CO 0.02 0.05 0.20 1.23 0.02 0.00 0.00 177.57 179.09 3m75 h GLY 263 N -0.80 1.09 0.98 2.17 0.00 -1.75 -2.52 103.07 102.23 3m75 h GLY 263 Ca -0.06 -0.65 -0.00 0.00 0.00 0.00 0.00 47.33 46.62 3m75 h GLY 263 CO 0.10 0.60 0.13 1.41 0.00 0.00 0.00 176.54 178.79 3m75 h LEU 264 N 0.94 0.25 -1.15 3.11 3.38 -1.11 0.47 115.31 121.20 3m75 h LEU 264 Ca 0.21 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 3m75 h LEU 264 Cb 0.30 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3m75 h LEU 264 CO -0.01 0.21 -0.20 0.00 0.09 0.00 0.00 178.44 178.54 3m75 h ALA 265 N 1.05 1.29 -0.00 1.53 0.00 -1.05 -1.73 119.26 120.34 3m75 h ALA 265 Ca 0.08 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 3m75 h ALA 265 Cb 0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3m75 h ALA 265 CO -0.01 0.47 -0.76 0.77 0.00 0.00 0.00 179.25 179.71 3m75 h SER 266 N 0.32 0.07 -0.12 0.00 0.02 -1.18 -0.74 113.55 111.92 3m75 h SER 266 Ca 0.06 -0.05 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 3m75 h SER 266 Cb 0.54 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.02 3m75 h SER 266 CO 0.04 0.81 -0.09 0.24 -1.14 0.00 0.00 176.83 176.68 3m75 h MET 267 N 0.03 -0.10 -0.26 3.45 2.07 -0.52 -0.77 114.93 118.84 3m75 h MET 267 Ca -0.01 0.01 0.02 0.00 -2.07 0.00 0.00 59.70 57.64 3m75 h MET 267 Cb 1.35 0.02 -0.02 0.00 -1.87 0.00 0.00 31.60 31.08 3m75 h MET 267 CO 0.10 -0.06 0.12 0.00 1.07 0.00 0.00 176.91 178.14 3m75 h ALA 268 N 0.99 0.31 -0.04 6.32 0.00 -1.06 0.44 119.26 126.22 3m75 h ALA 268 Ca 0.08 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3m75 h ALA 268 Cb 0.21 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3m75 h ALA 268 CO -0.18 -0.28 0.02 -0.97 0.00 0.00 0.00 179.25 177.83 3m75 h ASN 269 N 0.25 0.06 -0.41 0.00 -0.73 -1.02 -2.66 115.58 111.07 3m75 h ASN 269 Ca 0.11 -0.17 -0.04 0.00 1.87 0.00 0.00 56.30 58.07 3m75 h ASN 269 Cb 0.05 -0.01 -0.02 0.00 0.27 0.00 0.00 38.32 38.60 3m75 h ASN 269 CO -0.09 0.21 0.13 0.77 -0.37 0.00 0.00 177.43 178.08 3m75 h SER 270 N -0.10 0.65 -0.74 1.15 4.64 -1.04 -1.95 113.55 116.15 3m75 h SER 270 Ca 0.01 -0.10 0.06 0.00 -0.47 0.00 0.00 61.79 61.30 3m75 h SER 270 Cb 0.17 -0.17 -0.05 0.00 -0.31 0.00 0.00 62.40 62.05 3m75 h SER 270 CO -0.00 0.63 0.49 0.00 -0.87 0.00 0.00 176.83 177.08 3m75 h ALA 271 N 1.46 1.68 -0.56 5.18 0.00 -0.62 -1.30 119.26 125.10 3m75 h ALA 271 Ca 0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3m75 h ALA 271 Cb 0.24 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3m75 h ALA 271 CO -0.01 0.20 0.26 1.79 0.00 0.00 0.00 179.25 181.49 3m75 h THR 272 N 0.78 1.19 -0.14 0.00 1.35 -1.02 -0.59 112.91 114.49 3m75 h THR 272 Ca 0.32 -0.55 -0.21 0.00 -0.55 0.00 0.00 66.41 65.41 3m75 h THR 272 Cb 0.25 0.49 0.01 0.00 -1.73 0.00 0.00 68.15 67.17 3m75 h THR 272 CO -0.11 0.23 -0.75 0.00 -0.25 0.00 0.00 175.52 174.64 3m75 h ALA 273 N 1.49 0.27 -0.67 6.62 0.00 -1.27 -0.78 119.26 124.93 3m75 h ALA 273 Ca 0.19 -0.59 0.01 0.00 0.00 0.00 0.00 54.91 54.53 3m75 h ALA 273 Cb 0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3m75 h ALA 273 CO -0.02 0.63 0.44 0.74 0.00 0.00 0.00 179.25 181.03 3m75 h PHE 274 N 0.46 0.83 0.05 0.00 -1.00 -1.14 -0.64 116.94 115.50 3m75 h PHE 274 Ca -0.05 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.74 3m75 h PHE 274 Cb 1.38 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 40.67 3m75 h PHE 274 CO 0.09 0.51 -0.02 -0.92 -1.61 0.00 0.00 178.31 176.36 3m75 h TYR 275 N 0.89 -0.06 -0.52 -0.55 3.20 -1.02 -0.79 116.97 118.11 3m75 h TYR 275 Ca 0.25 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.19 3m75 h TYR 275 Cb -0.07 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 3m75 h TYR 275 CO -0.03 0.12 0.35 1.25 -1.64 0.00 0.00 178.16 178.21 3m75 h HIS 276 N -0.24 0.44 -0.03 -3.82 2.76 -1.00 -1.19 115.15 112.07 3m75 h HIS 276 Ca -0.01 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3m75 h HIS 276 Cb 0.21 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.03 3m75 h HIS 276 CO -0.02 0.23 0.00 0.41 -1.30 0.00 0.00 177.93 177.25 3m75 n GLY 277 N -1.51 -0.54 3.79 5.26 0.00 -0.26 -4.93 105.19 107.00 3m75 n GLY 277 Ca 0.07 -0.27 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 3m75 n GLY 277 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3m75 n ASN 278 N -0.44 -2.04 -4.11 1.61 5.15 -0.45 -5.00 115.26 109.98 3m75 n ASN 278 Ca 0.19 -0.83 -0.33 0.00 -0.60 0.00 0.00 54.58 53.01 3m75 n ASN 278 Cb 0.19 -3.90 -0.16 0.00 -0.53 0.00 0.00 39.78 35.38 3m75 n ASN 278 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3m75 s VAL 279 N -3.60 2.02 -1.29 3.44 1.01 -0.38 -4.80 120.40 116.80 3m75 s VAL 279 Ca 0.18 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 61.17 3m75 s VAL 279 Cb -0.09 -1.83 -0.00 0.00 0.00 0.00 0.00 36.38 34.46 3m75 s VAL 279 CO 0.83 0.53 0.61 0.18 0.00 0.00 0.00 175.10 177.25 3m75 n LEU 280 N 4.61 -2.62 0.01 3.92 4.77 -1.26 -4.31 117.00 122.11 3m75 n LEU 280 Ca -0.21 -0.98 0.01 0.00 -0.03 0.00 0.00 56.01 54.81 3m75 n LEU 280 Cb 0.50 -2.37 0.34 0.00 -2.33 0.00 0.00 43.42 39.56 3m75 n LEU 280 CO 0.26 0.44 0.99 1.56 -1.33 0.00 0.00 177.39 179.31 3m75 h GLN 281 N -1.86 0.50 -0.14 3.23 4.20 -1.87 0.16 115.11 119.33 3m75 h GLN 281 Ca -0.64 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 57.97 3m75 h GLN 281 Cb 1.37 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 29.06 3m75 h GLN 281 CO 0.56 0.49 0.04 0.78 -0.67 0.00 0.00 178.83 180.03 3m75 h GLY 282 N 0.75 0.23 0.69 3.46 0.00 -2.00 -0.46 103.07 105.75 3m75 h GLY 282 Ca 0.11 -0.14 0.07 0.00 0.00 0.00 0.00 47.33 47.38 3m75 h GLY 282 CO 0.00 0.13 0.61 -2.08 0.00 0.00 0.00 176.54 175.20 3m75 h VAL 283 N 0.04 1.05 -0.50 4.60 2.07 -1.83 -1.89 116.25 119.79 3m75 h VAL 283 Ca 0.04 -0.37 -0.08 0.00 0.82 0.00 0.00 66.70 67.11 3m75 h VAL 283 Cb 0.23 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.85 3m75 h VAL 283 CO -0.00 0.20 -0.00 0.77 0.02 0.00 0.00 177.57 178.55 3m75 h SER 284 N 1.08 0.86 -0.26 0.57 4.64 -0.56 0.43 113.55 120.31 3m75 h SER 284 Ca 0.42 -0.31 -0.01 0.00 -0.47 0.00 0.00 61.79 61.43 3m75 h SER 284 Cb 0.21 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 3m75 h SER 284 CO -0.19 0.96 0.14 0.40 -0.87 0.00 0.00 176.83 177.28 3m75 h ILE 285 N 0.74 1.12 -0.30 0.95 2.04 -0.84 -0.71 117.51 120.52 3m75 h ILE 285 Ca 0.14 -0.32 0.04 0.00 1.00 0.00 0.00 64.86 65.71 3m75 h ILE 285 Cb 0.52 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 3m75 h ILE 285 CO 0.03 0.12 0.08 0.15 0.00 0.00 0.00 178.15 178.52 3m75 h PHE 286 N 0.31 0.13 -0.63 1.37 3.57 -1.04 -0.90 116.94 119.75 3m75 h PHE 286 Ca 0.09 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 3m75 h PHE 286 Cb 0.07 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 3m75 h PHE 286 CO -0.03 0.05 0.34 0.00 -2.23 0.00 0.00 178.31 176.44 3m75 h ALA 287 N 1.20 0.80 -0.30 2.41 0.00 -0.69 0.17 119.26 122.87 3m75 h ALA 287 Ca 0.13 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3m75 h ALA 287 Cb 0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3m75 h ALA 287 CO -0.16 0.32 -0.01 0.35 0.00 0.00 0.00 179.25 179.75 3m75 h PHE 288 N 0.85 0.57 -0.15 0.00 3.57 -0.85 -1.35 116.94 119.59 3m75 h PHE 288 Ca 0.22 -0.10 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 3m75 h PHE 288 Cb 0.04 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.63 3m75 h PHE 288 CO -0.01 0.67 -0.01 0.28 -2.23 0.00 0.00 178.31 177.00 3m75 h VAL 289 N 0.32 1.27 -0.23 1.41 2.07 -0.96 -2.21 116.25 117.91 3m75 h VAL 289 Ca 0.08 -0.90 0.05 0.00 0.82 0.00 0.00 66.70 66.75 3m75 h VAL 289 Cb 0.44 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 3m75 h VAL 289 CO 0.02 0.26 -0.04 0.15 0.02 0.00 0.00 177.57 177.98 3m75 h PHE 290 N -0.01 -0.10 -0.59 1.57 3.57 -0.64 -0.31 116.94 120.43 3m75 h PHE 290 Ca 0.04 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.56 3m75 h PHE 290 Cb 0.41 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.20 3m75 h PHE 290 CO 0.04 -0.09 0.37 0.77 -2.23 0.00 0.00 178.31 177.18 3m75 h SER 291 N 0.02 0.70 -0.43 0.41 0.02 -1.23 -0.72 113.55 112.31 3m75 h SER 291 Ca 0.11 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 3m75 h SER 291 Cb 0.16 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 3m75 h SER 291 CO -0.23 0.53 0.14 0.78 -1.14 0.00 0.00 176.83 176.92 3m75 h ASN 292 N 0.80 0.62 -0.40 3.07 2.35 -1.04 -1.27 115.58 119.72 3m75 h ASN 292 Ca 0.22 -0.20 0.01 0.00 -0.55 0.00 0.00 56.30 55.78 3m75 h ASN 292 Cb -0.05 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 3m75 h ASN 292 CO -0.04 0.66 0.24 0.58 -1.65 0.00 0.00 177.43 177.22 3m75 h VAL 293 N 0.56 1.06 -0.48 2.81 2.07 -0.76 0.63 116.25 122.14 3m75 h VAL 293 Ca 0.14 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 67.43 3m75 h VAL 293 Cb 0.25 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 3m75 h VAL 293 CO -0.01 0.09 0.05 0.24 0.02 0.00 0.00 177.57 177.97 3m75 h MET 294 N 0.49 0.81 -0.33 1.57 2.86 -0.98 0.11 114.93 119.45 3m75 h MET 294 Ca 0.15 -0.23 -0.09 0.00 -2.06 0.00 0.00 59.70 57.48 3m75 h MET 294 Cb -0.01 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 3m75 h MET 294 CO -0.06 0.83 -0.16 0.82 1.06 0.00 0.00 176.91 179.40 3m75 h ILE 295 N 0.68 1.25 -0.75 -1.22 2.04 -1.13 -1.26 117.51 117.11 3m75 h ILE 295 Ca 0.14 -1.15 0.06 0.00 1.00 0.00 0.00 64.86 64.91 3m75 h ILE 295 Cb 0.43 1.17 -0.06 0.00 -0.74 0.00 0.00 36.82 37.62 3m75 h ILE 295 CO 0.01 0.38 0.45 1.23 0.00 0.00 0.00 178.15 180.22 3m75 h GLY 296 N 0.97 1.12 1.13 5.37 0.00 -0.35 -0.07 103.07 111.25 3m75 h GLY 296 Ca 0.09 -0.32 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 3m75 h GLY 296 CO 0.04 0.21 0.07 1.41 0.00 0.00 0.00 176.54 178.27 3m75 h LEU 297 N 0.82 1.02 -0.66 3.11 3.38 -0.49 -1.00 115.31 121.49 3m75 h LEU 297 Ca 0.33 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 58.09 3m75 h LEU 297 Cb 0.17 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 3m75 h LEU 297 CO -0.17 1.03 0.39 -0.07 0.09 0.00 0.00 178.44 179.70 3m75 h LEU 298 N 0.98 0.62 -0.39 1.67 3.38 -0.61 0.03 115.31 120.99 3m75 h LEU 298 Ca 0.19 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 3m75 h LEU 298 Cb 0.47 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3m75 h LEU 298 CO 0.02 0.42 0.14 0.58 0.09 0.00 0.00 178.44 179.69 3m75 h VAL 299 N 0.75 1.20 -0.57 1.22 2.07 -0.53 -0.93 116.25 119.47 3m75 h VAL 299 Ca 0.28 -0.65 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 3m75 h VAL 299 Cb 0.09 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 3m75 h VAL 299 CO -0.13 0.23 0.21 -0.07 0.02 0.00 0.00 177.57 177.82 3m75 h LEU 300 N 0.49 0.81 -1.32 2.57 3.38 -0.87 0.34 115.31 120.70 3m75 h LEU 300 Ca 0.13 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3m75 h LEU 300 Cb 0.22 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3m75 h LEU 300 CO -0.01 0.78 -0.02 0.24 0.09 0.00 0.00 178.44 179.52 3m75 h MET 301 N 0.79 0.42 -0.15 1.13 2.86 -0.89 -1.08 114.93 118.02 3m75 h MET 301 Ca 0.19 -0.09 -0.13 0.00 -2.06 0.00 0.00 59.70 57.61 3m75 h MET 301 Cb 0.24 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.84 3m75 h MET 301 CO -0.01 0.47 -0.41 1.15 1.06 0.00 0.00 176.91 179.17 3m75 h THR 302 N 0.41 1.35 -0.81 2.22 2.02 -0.38 -1.11 112.91 116.61 3m75 h THR 302 Ca 0.09 -1.69 0.00 0.00 0.77 0.00 0.00 66.41 65.59 3m75 h THR 302 Cb 0.31 2.02 -0.04 0.00 -1.74 0.00 0.00 68.15 68.70 3m75 h THR 302 CO 0.01 0.51 0.51 0.40 0.37 0.00 0.00 175.52 177.33 3m75 h ILE 303 N 0.18 1.22 -0.04 3.11 2.04 -0.79 -0.42 117.51 122.81 3m75 h ILE 303 Ca -0.01 -0.44 0.03 0.00 1.00 0.00 0.00 64.86 65.44 3m75 h ILE 303 Cb 1.03 0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 3m75 h ILE 303 CO 0.09 0.22 -0.16 0.22 0.00 0.00 0.00 178.15 178.52 3m75 h TYR 304 N 1.11 -0.42 -0.66 1.37 3.20 -1.02 0.13 116.97 120.68 3m75 h TYR 304 Ca 0.30 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.19 3m75 h TYR 304 Cb -0.08 0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 3m75 h TYR 304 CO -0.01 -0.24 0.43 0.87 -1.64 0.00 0.00 178.16 177.58 3m75 h LYS 305 N -0.25 0.84 -0.13 1.82 1.79 -0.87 0.02 116.57 119.80 3m75 h LYS 305 Ca 0.06 -0.05 -0.09 0.00 -2.18 0.00 0.00 60.65 58.39 3m75 h LYS 305 Cb 0.34 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.79 3m75 h LYS 305 CO -0.18 0.56 -0.34 -0.07 -1.08 0.00 0.00 179.45 178.34 3m75 h LEU 306 N 0.87 0.25 0.00 2.94 3.38 -0.65 0.18 115.31 122.28 3m75 h LEU 306 Ca 0.24 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3m75 h LEU 306 Cb -0.07 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3m75 h LEU 306 CO -0.06 0.58 0.00 0.41 0.09 0.00 0.00 178.44 179.47 3m75 n THR 307 N -4.09 0.00 -0.81 0.22 -1.04 0.42 -2.62 114.28 106.36 3m75 n THR 307 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 3m75 n THR 307 Cb 0.43 -0.42 0.00 0.00 -1.82 0.00 0.00 70.33 68.52 3m75 n THR 307 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3m75 n LYS 308 N -0.80 -0.14 -2.15 -2.82 5.02 -1.09 -5.01 118.16 111.16 3m75 n LYS 308 Ca 0.11 -0.13 -0.03 0.00 -2.02 0.00 0.00 58.31 56.25 3m75 n LYS 308 Cb 0.05 -0.59 0.00 0.00 -0.02 0.00 0.00 35.03 34.47 3m75 n LYS 308 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3m75 n GLY 309 N -0.01 0.36 0.84 0.72 0.00 -1.04 -4.95 105.19 101.10 3m75 n GLY 309 Ca 0.00 -0.74 0.07 0.00 0.00 0.00 0.00 46.02 45.35 3m75 n GLY 309 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3m75 n GLN 310 N -1.21 2.99 0.00 1.61 6.02 0.59 -4.73 117.38 122.66 3m75 n GLN 310 Ca -0.02 -2.44 0.00 0.00 -0.01 0.00 0.00 57.00 54.53 3m75 n GLN 310 Cb 0.52 -1.55 0.00 0.00 1.02 0.00 0.00 30.24 30.23 3m75 n GLN 310 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3m75 n PHE 311 N 0.20 0.00 -2.50 1.08 -0.00 -1.21 -4.87 117.46 110.17 3m75 n PHE 311 Ca 0.17 0.00 -0.39 0.00 -0.00 0.00 0.00 57.45 57.23 3m75 n PHE 311 Cb 0.65 -0.24 -0.04 0.00 -0.00 0.00 0.00 39.48 39.85 3m75 n PHE 311 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.76 176.70 3m75 s PHE 312 N -0.96 3.48 -1.39 -5.13 0.08 -1.26 -5.08 117.98 107.72 3m75 s PHE 312 Ca 0.00 1.69 0.00 0.00 0.12 0.00 0.00 56.93 58.74 3m75 s PHE 312 Cb 0.00 -3.23 0.00 0.00 -0.57 0.00 0.00 43.02 39.22 3m75 s PHE 312 CO 0.00 -0.57 0.35 1.28 -0.10 0.00 0.00 175.22 176.18