#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m74 n LEU 9 N 0.00 0.00 -4.76 2.45 7.94 -1.26 -4.90 117.00 116.47 3m74 n LEU 9 Ca 0.00 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.49 3m74 n LEU 9 Cb 0.00 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 43.93 3m74 n LEU 9 CO 0.00 0.00 1.14 -2.84 -1.11 0.00 0.00 177.39 174.58 3m74 s PRO 10 N 0.00 4.19 0.43 1.96 0.02 -1.26 -4.90 135.00 135.44 3m74 s PRO 10 Ca 0.00 2.45 0.09 0.00 0.02 0.00 0.00 61.00 63.56 3m74 s PRO 10 Cb 0.00 -3.04 0.93 0.00 0.02 0.00 0.00 34.50 32.41 3m74 s PRO 10 CO 0.00 -0.49 2.05 1.15 -0.33 0.00 0.00 177.00 179.39 3m74 h THR 11 N 3.29 1.06 0.00 0.99 2.02 -1.95 -1.46 112.91 116.87 3m74 h THR 11 Ca -0.48 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 66.54 3m74 h THR 11 Cb 1.22 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 3m74 h THR 11 CO 0.74 0.09 0.04 1.23 0.37 0.00 0.00 175.52 177.98 3m74 h GLY 12 N 0.48 0.00 2.00 2.16 0.00 -1.90 -2.26 103.07 103.55 3m74 h GLY 12 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 3m74 h GLY 12 CO -0.04 0.00 0.00 -0.97 0.00 0.00 0.00 176.54 175.53 3m74 h TYR 13 N 0.00 0.00 0.00 5.60 -1.99 -1.64 -0.60 116.97 118.34 3m74 h TYR 13 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3m74 h TYR 13 Cb 0.08 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.81 3m74 h TYR 13 CO 0.00 0.00 0.07 0.74 -0.00 0.00 0.00 178.16 178.97 3m74 h PHE 14 N 0.00 0.00 -0.00 4.88 0.04 -1.62 -1.21 116.94 119.03 3m74 h PHE 14 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3m74 h PHE 14 Cb 0.29 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.44 3m74 h PHE 14 CO 0.00 0.00 0.00 0.78 -0.60 0.00 0.00 178.31 178.49 3m74 h GLY 15 N 0.00 0.00 0.44 -1.45 0.00 -1.35 -2.36 103.07 98.35 3m74 h GLY 15 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3m74 h GLY 15 CO 0.00 0.00 -0.13 -2.22 0.00 0.00 0.00 176.54 174.19 3m74 h ILE 16 N 0.00 0.58 0.00 2.60 2.04 -1.44 -0.95 117.51 120.35 3m74 h ILE 16 Ca 0.00 -0.87 -0.04 0.00 1.00 0.00 0.00 64.86 64.95 3m74 h ILE 16 Cb 0.00 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 3m74 h ILE 16 CO -0.00 0.14 -0.18 1.55 0.00 0.00 0.00 178.15 179.65 3m74 h PRO 17 N -0.92 0.00 0.29 2.37 0.13 -1.72 -1.88 132.00 130.27 3m74 h PRO 17 Ca -0.04 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.08 3m74 h PRO 17 Cb 0.50 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.62 3m74 h PRO 17 CO 0.06 0.18 -0.18 1.25 -0.23 0.00 0.00 178.00 179.08 3m74 h LEU 18 N 0.00 -0.46 -0.71 1.56 6.46 -1.36 0.76 115.31 121.56 3m74 h LEU 18 Ca -0.00 0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 57.76 3m74 h LEU 18 Cb 0.50 0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.54 3m74 h LEU 18 CO 0.02 -0.29 0.33 1.23 -0.62 0.00 0.00 178.44 179.10 3m74 h GLY 19 N -0.46 1.11 1.13 3.75 0.00 -0.82 -0.36 103.07 107.42 3m74 h GLY 19 Ca -0.03 -0.56 -0.14 0.00 0.00 0.00 0.00 47.33 46.59 3m74 h GLY 19 CO 0.03 0.53 -0.28 1.41 0.00 0.00 0.00 176.54 178.23 3m74 h LEU 20 N 1.00 1.02 -0.12 3.11 3.38 -1.27 -1.60 115.31 120.82 3m74 h LEU 20 Ca 0.24 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 3m74 h LEU 20 Cb 0.14 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3m74 h LEU 20 CO -0.03 1.22 0.01 0.00 0.09 0.00 0.00 178.44 179.73 3m74 h ALA 21 N 0.84 0.17 -0.98 1.53 0.00 -0.56 -0.52 119.26 119.73 3m74 h ALA 21 Ca 0.09 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.87 3m74 h ALA 21 Cb 0.87 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 3m74 h ALA 21 CO 0.08 -0.16 0.64 0.00 0.00 0.00 0.00 179.25 179.81 3m74 h ALA 22 N 0.78 1.37 -0.33 0.00 0.00 -1.05 -1.79 119.26 118.24 3m74 h ALA 22 Ca 0.04 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3m74 h ALA 22 Cb 0.32 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3m74 h ALA 22 CO 0.00 0.52 -0.30 1.25 0.00 0.00 0.00 179.25 180.73 3m74 h LEU 23 N 1.23 0.73 -0.54 0.00 5.85 -1.09 -2.08 115.31 119.41 3m74 h LEU 23 Ca 0.40 -0.29 0.07 0.00 0.84 0.00 0.00 57.88 58.91 3m74 h LEU 23 Cb 0.03 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 3m74 h LEU 23 CO -0.13 0.98 0.20 -1.28 -0.34 0.00 0.00 178.44 177.87 3m74 h SER 24 N 0.60 0.20 -0.42 1.25 0.87 -0.53 -1.94 113.55 113.59 3m74 h SER 24 Ca 0.07 0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.64 3m74 h SER 24 Cb 0.80 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.79 3m74 h SER 24 CO 0.07 0.14 0.05 -0.07 -0.53 0.00 0.00 176.83 176.49 3m74 h LEU 25 N 0.38 0.73 -0.17 2.23 3.38 -0.99 -1.05 115.31 119.82 3m74 h LEU 25 Ca 0.26 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.08 3m74 h LEU 25 Cb 0.29 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3m74 h LEU 25 CO -0.26 0.77 0.10 0.00 0.09 0.00 0.00 178.44 179.13 3m74 h ALA 26 N 1.32 0.21 -0.35 1.53 0.00 -0.85 -2.64 119.26 118.49 3m74 h ALA 26 Ca 0.15 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 3m74 h ALA 26 Cb 0.37 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3m74 h ALA 26 CO 0.01 -0.33 -0.05 -1.49 0.00 0.00 0.00 179.25 177.40 3m74 h TRP 27 N 0.20 0.60 -1.00 0.00 4.06 -1.07 -2.45 115.95 116.29 3m74 h TRP 27 Ca 0.07 -0.08 0.12 0.00 2.06 0.00 0.00 58.89 61.06 3m74 h TRP 27 Cb -0.00 -0.17 -0.08 0.00 -1.00 0.00 0.00 29.16 27.91 3m74 h TRP 27 CO -0.08 0.61 0.63 0.35 -3.56 0.00 0.00 178.44 176.39 3m74 h PHE 28 N 0.54 1.13 0.00 0.49 3.57 -0.85 -0.13 116.94 121.69 3m74 h PHE 28 Ca 0.11 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.64 3m74 h PHE 28 Cb 0.42 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.80 3m74 h PHE 28 CO 0.02 0.45 0.00 0.72 -2.23 0.00 0.00 178.31 177.27 3m74 n HIS 29 N -4.61 0.00 0.98 0.41 8.25 -0.92 -2.32 115.22 117.00 3m74 n HIS 29 Ca 0.19 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.76 3m74 n HIS 29 Cb 0.35 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.51 3m74 n HIS 29 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3m74 n LEU 30 N -0.99 2.50 -0.33 2.41 4.77 -0.06 -4.58 117.00 120.72 3m74 n LEU 30 Ca 0.21 -0.89 0.04 0.00 -0.03 0.00 0.00 56.01 55.35 3m74 n LEU 30 Cb 0.10 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 41.41 3m74 n LEU 30 CO 0.16 0.44 1.25 -0.08 -1.33 0.00 0.00 177.39 177.83 3m74 h GLU 31 N 3.55 1.02 0.00 3.23 4.81 -1.51 0.14 114.58 125.83 3m74 h GLU 31 Ca 0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3m74 h GLU 31 Cb 0.86 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.01 3m74 h GLU 31 CO 0.00 0.68 0.00 0.27 -0.73 0.00 0.00 179.01 179.23 3m74 n ASN 32 N -4.51 0.00 -0.02 1.04 0.23 -1.26 -3.01 115.26 107.73 3m74 n ASN 32 Ca 0.15 0.18 -0.02 0.00 -0.53 0.00 0.00 54.58 54.35 3m74 n ASN 32 Cb 0.22 -0.33 -0.02 0.00 -2.08 0.00 0.00 39.78 37.57 3m74 n ASN 32 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3m74 n LEU 33 N -1.33 1.69 -3.44 -4.53 4.77 -0.20 -4.95 117.00 109.02 3m74 n LEU 33 Ca 0.05 -0.01 -0.24 0.00 -0.03 0.00 0.00 56.01 55.78 3m74 n LEU 33 Cb 0.11 -0.05 -0.11 0.00 -2.33 0.00 0.00 43.42 41.04 3m74 n LEU 33 CO 0.10 0.36 -0.26 0.12 -1.33 0.00 0.00 177.39 176.38 3m74 s PHE 34 N -2.09 0.22 0.40 -1.77 5.36 0.34 -5.04 117.98 115.40 3m74 s PHE 34 Ca -0.04 -1.11 0.16 0.00 -0.96 0.00 0.00 56.93 54.97 3m74 s PHE 34 Cb 0.01 -0.71 1.02 0.00 -0.34 0.00 0.00 43.02 43.01 3m74 s PHE 34 CO 0.12 -0.88 1.84 -1.35 -1.46 0.00 0.00 175.22 173.48 3m74 h PRO 35 N 7.38 0.46 0.00 10.12 0.11 -1.78 0.13 132.00 148.42 3m74 h PRO 35 Ca -0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3m74 h PRO 35 Cb 1.01 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3m74 h PRO 35 CO 0.28 0.30 0.00 0.00 -0.21 0.00 0.00 178.00 178.37 3m74 h ALA 36 N 1.61 1.00 0.00 -0.75 0.00 -1.93 -1.99 119.26 117.20 3m74 h ALA 36 Ca 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.38 3m74 h ALA 36 Cb 1.15 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 3m74 h ALA 36 CO -0.22 0.00 -0.14 0.00 0.00 0.00 0.00 179.25 178.89 3m74 h ALA 37 N 2.05 1.75 -0.77 0.00 0.00 -1.04 -2.57 119.26 118.67 3m74 h ALA 37 Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3m74 h ALA 37 Cb 0.09 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3m74 h ALA 37 CO 0.00 0.18 0.44 -0.09 0.00 0.00 0.00 179.25 179.78 3m74 h ARG 38 N 0.00 1.06 -0.42 0.00 9.65 -1.54 0.38 114.38 123.51 3m74 h ARG 38 Ca -0.00 -0.11 -0.08 0.00 -1.10 0.00 0.00 59.98 58.69 3m74 h ARG 38 Cb 0.25 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.61 3m74 h ARG 38 CO 0.02 0.77 -0.03 1.98 2.80 0.00 0.00 179.97 185.51 3m74 h MET 39 N 1.06 0.76 -0.23 0.20 4.05 -1.65 0.15 114.93 119.27 3m74 h MET 39 Ca 0.27 -0.26 0.03 0.00 -0.28 0.00 0.00 59.70 59.46 3m74 h MET 39 Cb 0.00 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.71 3m74 h MET 39 CO -0.05 0.86 0.06 0.28 0.23 0.00 0.00 176.91 178.29 3m74 h VAL 40 N 0.60 0.92 -0.51 -5.77 2.07 -1.38 -0.52 116.25 111.65 3m74 h VAL 40 Ca 0.12 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.63 3m74 h VAL 40 Cb 0.53 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 3m74 h VAL 40 CO 0.03 0.03 0.25 -1.28 0.02 0.00 0.00 177.57 176.61 3m74 h SER 41 N 0.16 0.35 -0.54 0.57 0.87 -0.67 -1.58 113.55 112.70 3m74 h SER 41 Ca 0.10 0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.67 3m74 h SER 41 Cb 0.09 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 3m74 h SER 41 CO -0.12 0.24 0.23 0.44 -0.53 0.00 0.00 176.83 177.09 3m74 h ASP 42 N 0.48 0.73 -0.05 6.23 3.32 -0.26 0.57 116.42 127.45 3m74 h ASP 42 Ca 0.23 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 3m74 h ASP 42 Cb 0.16 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 3m74 h ASP 42 CO -0.17 0.69 0.02 0.58 -1.72 0.00 0.00 179.24 178.64 3m74 h VAL 43 N 0.73 1.12 -0.89 -1.35 2.07 -0.89 0.39 116.25 117.43 3m74 h VAL 43 Ca 0.18 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 3m74 h VAL 43 Cb 0.17 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 3m74 h VAL 43 CO -0.02 0.10 0.55 -0.07 0.02 0.00 0.00 177.57 178.15 3m74 h LEU 44 N -0.05 1.06 -0.63 2.57 3.38 -1.21 -1.54 115.31 118.89 3m74 h LEU 44 Ca 0.02 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 3m74 h LEU 44 Cb 0.14 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3m74 h LEU 44 CO -0.00 0.81 -0.21 1.23 0.09 0.00 0.00 178.44 180.35 3m74 h GLY 45 N 1.24 0.92 1.00 0.83 0.00 -0.56 0.24 103.07 106.74 3m74 h GLY 45 Ca 0.32 -0.79 -0.11 0.00 0.00 0.00 0.00 47.33 46.75 3m74 h GLY 45 CO -0.06 0.72 -0.18 -2.22 0.00 0.00 0.00 176.54 174.80 3m74 h ILE 46 N 0.74 1.28 -0.37 2.60 2.04 -0.66 -0.98 117.51 122.16 3m74 h ILE 46 Ca 0.10 -1.30 -0.05 0.00 1.00 0.00 0.00 64.86 64.61 3m74 h ILE 46 Cb 0.75 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 3m74 h ILE 46 CO 0.06 0.43 0.03 0.58 0.00 0.00 0.00 178.15 179.25 3m74 h VAL 47 N 0.59 1.25 -0.81 1.67 2.07 -1.18 -0.61 116.25 119.22 3m74 h VAL 47 Ca 0.08 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.65 3m74 h VAL 47 Cb 0.73 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 3m74 h VAL 47 CO 0.05 0.31 0.38 0.00 0.02 0.00 0.00 177.57 178.33 3m74 h ALA 48 N 0.89 1.05 -0.45 1.67 0.00 -0.87 -1.39 119.26 120.16 3m74 h ALA 48 Ca 0.11 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3m74 h ALA 48 Cb 0.41 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3m74 h ALA 48 CO 0.01 0.63 -0.02 0.77 0.00 0.00 0.00 179.25 180.65 3m74 h SER 49 N 1.16 0.79 -0.49 0.00 0.02 -0.93 0.02 113.55 114.12 3m74 h SER 49 Ca 0.28 -0.32 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 3m74 h SER 49 Cb 0.14 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 3m74 h SER 49 CO -0.03 0.92 0.23 0.00 -1.14 0.00 0.00 176.83 176.81 3m74 h ALA 50 N 0.90 0.63 -0.58 3.77 0.00 -0.87 -0.10 119.26 123.02 3m74 h ALA 50 Ca 0.13 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3m74 h ALA 50 Cb 0.52 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3m74 h ALA 50 CO 0.03 0.20 0.20 0.28 0.00 0.00 0.00 179.25 179.96 3m74 h VAL 51 N 0.65 1.23 -0.42 0.00 2.07 -1.12 -1.91 116.25 116.75 3m74 h VAL 51 Ca 0.17 -0.77 0.02 0.00 0.82 0.00 0.00 66.70 66.95 3m74 h VAL 51 Cb 0.12 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3m74 h VAL 51 CO -0.02 0.29 0.24 -0.25 0.02 0.00 0.00 177.57 177.85 3m74 h TRP 52 N 0.81 0.44 -0.37 1.57 7.01 -0.76 0.00 115.95 124.65 3m74 h TRP 52 Ca 0.19 0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.26 3m74 h TRP 52 Cb 0.25 -0.14 -0.05 0.00 -2.10 0.00 0.00 29.16 27.12 3m74 h TRP 52 CO 0.01 0.25 0.07 0.82 -2.79 0.00 0.00 178.44 176.80 3m74 h ILE 53 N 0.48 0.81 -0.29 2.65 2.04 -0.81 0.14 117.51 122.52 3m74 h ILE 53 Ca 0.17 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 65.98 3m74 h ILE 53 Cb 0.03 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 3m74 h ILE 53 CO -0.09 0.03 0.14 0.25 0.00 0.00 0.00 178.15 178.49 3m74 h LEU 54 N 0.19 0.21 -0.83 1.44 5.85 -0.93 -1.38 115.31 119.87 3m74 h LEU 54 Ca 0.18 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.79 3m74 h LEU 54 Cb 0.21 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3m74 h LEU 54 CO -0.24 0.16 -0.46 -0.26 -0.34 0.00 0.00 178.44 177.31 3m74 h PHE 55 N 0.30 0.35 -0.30 1.25 -1.00 -0.47 -0.41 116.94 116.65 3m74 h PHE 55 Ca 0.12 -0.10 -0.02 0.00 2.81 0.00 0.00 57.97 60.77 3m74 h PHE 55 Cb 0.04 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.51 3m74 h PHE 55 CO -0.10 0.70 0.09 0.82 -1.61 0.00 0.00 178.31 178.21 3m74 h ILE 56 N 0.23 1.20 -0.79 -0.55 1.08 -0.54 0.86 117.51 119.01 3m74 h ILE 56 Ca 0.02 -0.66 -0.02 0.00 -0.39 0.00 0.00 64.86 63.80 3m74 h ILE 56 Cb 0.90 1.07 -0.04 0.00 -3.07 0.00 0.00 36.82 35.69 3m74 h ILE 56 CO 0.07 0.22 0.40 -0.07 -0.69 0.00 0.00 178.15 178.08 3m74 h LEU 57 N 0.32 1.02 -0.84 1.44 3.38 -0.97 0.39 115.31 120.05 3m74 h LEU 57 Ca 0.10 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 3m74 h LEU 57 Cb 0.25 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3m74 h LEU 57 CO -0.00 0.86 -0.01 0.24 0.09 0.00 0.00 178.44 179.61 3m74 h MET 58 N 1.11 0.85 -0.11 1.13 2.86 -0.87 -1.63 114.93 118.27 3m74 h MET 58 Ca 0.27 -0.24 -0.14 0.00 -2.06 0.00 0.00 59.70 57.53 3m74 h MET 58 Cb 0.09 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 3m74 h MET 58 CO -0.04 0.86 -0.56 -0.92 1.06 0.00 0.00 176.91 177.31 3m74 h TYR 59 N 0.78 0.41 -0.88 -0.22 3.20 -0.29 -1.35 116.97 118.62 3m74 h TYR 59 Ca 0.15 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3m74 h TYR 59 Cb 0.49 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.64 3m74 h TYR 59 CO 0.03 0.81 0.57 0.00 -1.64 0.00 0.00 178.16 177.92 3m74 h ALA 60 N 1.16 1.12 -0.48 1.82 0.00 -0.62 0.17 119.26 122.43 3m74 h ALA 60 Ca 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3m74 h ALA 60 Cb 1.06 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3m74 h ALA 60 CO 0.09 0.55 0.04 -0.92 0.00 0.00 0.00 179.25 179.01 3m74 h TYR 61 N 1.20 0.81 -0.63 0.00 3.20 -1.08 -1.94 116.97 118.53 3m74 h TYR 61 Ca 0.32 -0.10 -0.09 0.00 3.14 0.00 0.00 58.73 62.01 3m74 h TYR 61 Cb -0.10 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 37.91 3m74 h TYR 61 CO -0.01 0.73 0.05 -0.22 -1.64 0.00 0.00 178.16 177.07 3m74 h LYS 62 N 0.73 1.08 -0.41 1.82 3.64 -0.41 -0.35 116.57 122.67 3m74 h LYS 62 Ca 0.15 -0.32 -0.08 0.00 -1.27 0.00 0.00 60.65 59.14 3m74 h LYS 62 Cb 0.39 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 3m74 h LYS 62 CO 0.01 1.02 -0.07 -0.07 -2.27 0.00 0.00 179.45 178.08 3m74 h LEU 63 N 1.00 0.67 0.20 5.20 3.38 -0.61 0.36 115.31 125.50 3m74 h LEU 63 Ca 0.19 -0.17 -0.27 0.00 0.09 0.00 0.00 57.88 57.71 3m74 h LEU 63 Cb 0.50 -0.18 0.03 0.00 0.09 0.00 0.00 40.66 41.10 3m74 h LEU 63 CO 0.02 0.78 -1.21 -0.09 0.09 0.00 0.00 178.44 178.04 3m74 h ARG 64 N 0.64 0.42 -0.00 1.13 9.65 -1.14 -3.35 114.38 121.73 3m74 h ARG 64 Ca 0.12 -0.72 0.00 0.00 -1.10 0.00 0.00 59.98 58.28 3m74 h ARG 64 Cb 0.50 0.27 0.00 0.00 -1.39 0.00 0.00 29.97 29.34 3m74 h ARG 64 CO 0.03 1.34 -0.34 0.66 2.80 0.00 0.00 179.97 184.46 3m74 n TYR 65 N -3.90 0.00 -2.55 2.20 4.01 -0.16 -4.63 117.16 112.13 3m74 n TYR 65 Ca -0.16 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.48 3m74 n TYR 65 Cb 0.97 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 40.04 3m74 n TYR 65 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3m74 n TYR 66 N -1.09 1.82 -0.12 -0.72 4.01 0.12 -4.93 117.16 116.25 3m74 n TYR 66 Ca 0.02 -2.25 0.02 0.00 -0.16 0.00 0.00 57.90 55.52 3m74 n TYR 66 Cb 0.13 -0.27 0.31 0.00 -0.31 0.00 0.00 39.34 39.20 3m74 n TYR 66 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 3m74 h PHE 67 N 2.50 0.75 0.00 -0.72 3.57 -1.62 -0.84 116.94 120.58 3m74 h PHE 67 Ca 0.04 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 3m74 h PHE 67 Cb 1.34 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.82 3m74 h PHE 67 CO 0.63 0.50 -0.12 0.93 -2.23 0.00 0.00 178.31 178.01 3m74 h GLU 68 N 0.80 0.00 -0.47 1.11 4.39 -1.91 0.23 114.58 118.72 3m74 h GLU 68 Ca 0.21 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.77 3m74 h GLU 68 Cb -0.04 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 3m74 h GLU 68 CO -0.04 0.12 -0.25 0.93 -1.16 0.00 0.00 179.01 178.61 3m74 h GLU 69 N 0.00 1.00 -0.27 2.33 5.08 -1.52 -1.31 114.58 119.90 3m74 h GLU 69 Ca -0.00 -0.45 -0.04 0.00 -1.00 0.00 0.00 59.36 57.87 3m74 h GLU 69 Cb 0.28 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3m74 h GLU 69 CO 0.02 1.12 -0.00 0.28 -1.00 0.00 0.00 179.01 179.43 3m74 h VAL 70 N 0.85 1.26 -0.54 3.13 2.07 -1.22 -2.24 116.25 119.56 3m74 h VAL 70 Ca 0.10 -0.92 0.06 0.00 0.82 0.00 0.00 66.70 66.76 3m74 h VAL 70 Cb 0.83 1.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.88 3m74 h VAL 70 CO 0.07 0.29 0.25 -0.09 0.02 0.00 0.00 177.57 178.11 3m74 h ARG 71 N 0.25 0.46 -0.64 1.57 2.43 -0.91 0.15 114.38 117.69 3m74 h ARG 71 Ca 0.08 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 3m74 h ARG 71 Cb 0.42 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 3m74 h ARG 71 CO 0.01 0.31 0.22 0.00 -1.51 0.00 0.00 179.97 179.00 3m74 h ALA 72 N 1.32 0.84 -0.47 2.80 0.00 -1.18 -1.32 119.26 121.25 3m74 h ALA 72 Ca 0.25 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 3m74 h ALA 72 Cb 0.21 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3m74 h ALA 72 CO -0.20 0.49 -0.21 1.05 0.00 0.00 0.00 179.25 180.38 3m74 h GLU 73 N 0.92 0.96 -0.37 0.00 4.11 -0.81 -1.95 114.58 117.44 3m74 h GLU 73 Ca 0.21 -0.40 0.01 0.00 0.07 0.00 0.00 59.36 59.25 3m74 h GLU 73 Cb 0.27 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3m74 h GLU 73 CO -0.01 1.07 0.24 -0.92 0.07 0.00 0.00 179.01 179.45 3m74 h TYR 74 N 0.83 0.45 0.00 2.06 3.20 -0.42 -2.34 116.97 120.75 3m74 h TYR 74 Ca 0.11 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.99 3m74 h TYR 74 Cb 0.78 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.89 3m74 h TYR 74 CO 0.05 0.28 0.00 0.72 -1.64 0.00 0.00 178.16 177.57 3m74 n HIS 75 N -4.84 0.92 -2.01 -3.82 8.25 -0.53 -4.56 115.22 108.63 3m74 n HIS 75 Ca -0.00 0.27 -0.42 0.00 -0.26 0.00 0.00 57.72 57.32 3m74 n HIS 75 Cb 0.03 -0.94 -0.03 0.00 1.12 0.00 0.00 29.99 30.17 3m74 n HIS 75 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3m74 s SER 76 N -4.50 6.66 0.00 0.41 0.15 -0.74 -4.89 113.70 110.80 3m74 s SER 76 Ca 0.10 2.60 0.24 0.00 0.70 0.00 0.00 55.95 59.59 3m74 s SER 76 Cb 0.12 -2.61 1.26 0.00 -1.71 0.00 0.00 66.02 63.09 3m74 s SER 76 CO 0.58 -0.73 1.79 -0.81 1.20 0.00 0.00 173.24 175.28 3m74 n PRO 77 N 3.09 0.45 -0.06 5.44 -0.04 -1.26 -2.64 135.00 139.98 3m74 n PRO 77 Ca 0.10 0.05 -0.12 0.00 -0.04 0.00 0.00 63.50 63.48 3m74 n PRO 77 Cb 0.40 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.32 3m74 n PRO 77 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3m74 n VAL 78 N -1.21 0.88 0.38 0.52 0.31 -1.26 -4.77 118.33 113.18 3m74 n VAL 78 Ca 0.13 -0.08 0.14 0.00 -0.01 0.00 0.00 64.34 64.52 3m74 n VAL 78 Cb 0.16 -1.74 0.52 0.00 -0.91 0.00 0.00 33.84 31.87 3m74 n VAL 78 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3m74 h ARG 79 N -0.48 0.00 -0.51 5.55 3.08 -1.79 -3.17 114.38 117.06 3m74 h ARG 79 Ca -0.26 0.00 0.06 0.00 0.07 0.00 0.00 59.98 59.84 3m74 h ARG 79 Cb 1.11 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.13 3m74 h ARG 79 CO -0.16 0.00 0.34 0.27 -1.07 0.00 0.00 179.97 179.35 3m74 h PHE 80 N 0.00 0.46 -0.53 3.04 -5.15 -1.18 -2.80 116.94 110.79 3m74 h PHE 80 Ca 0.00 0.01 0.07 0.00 -0.20 0.00 0.00 57.97 57.85 3m74 h PHE 80 Cb 0.49 -0.15 -0.03 0.00 0.22 0.00 0.00 35.95 36.47 3m74 h PHE 80 CO 0.00 0.25 0.35 0.77 -2.00 0.00 0.00 178.31 177.68 3m74 h SER 81 N 0.46 0.37 0.68 -0.68 0.02 -1.85 -1.61 113.55 110.94 3m74 h SER 81 Ca 0.22 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.14 3m74 h SER 81 Cb 0.28 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 3m74 h SER 81 CO -0.06 0.24 -0.13 -0.26 -1.14 0.00 0.00 176.83 175.48 3m74 h PHE 82 N 0.42 0.00 -0.17 3.45 0.04 -1.75 -1.59 116.94 117.33 3m74 h PHE 82 Ca 0.23 0.00 0.03 0.00 2.80 0.00 0.00 57.97 61.03 3m74 h PHE 82 Cb 0.38 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 3m74 h PHE 82 CO -0.00 0.13 0.12 0.82 -0.60 0.00 0.00 178.31 178.78 3m74 h ILE 83 N 0.00 0.97 0.00 -0.55 2.04 -1.47 -0.94 117.51 117.56 3m74 h ILE 83 Ca -0.00 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.83 3m74 h ILE 83 Cb 0.51 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 3m74 h ILE 83 CO 0.02 0.02 0.00 0.00 0.00 0.00 0.00 178.15 178.18 3m74 h ALA 84 N 1.91 1.00 0.00 1.87 0.00 -1.44 -0.76 119.26 121.83 3m74 h ALA 84 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3m74 h ALA 84 Cb 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3m74 h ALA 84 CO -0.01 0.00 -0.06 -0.07 0.00 0.00 0.00 179.25 179.11 3m74 h LEU 85 N 0.00 0.00 0.56 0.00 3.38 -1.34 -2.17 115.31 115.74 3m74 h LEU 85 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3m74 h LEU 85 Cb 0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 3m74 h LEU 85 CO 0.00 0.06 -0.27 0.40 0.09 0.00 0.00 178.44 178.73 3m74 h ILE 86 N 0.00 0.20 -0.12 1.22 2.04 -1.31 -0.83 117.51 118.72 3m74 h ILE 86 Ca -0.00 -0.42 -0.06 0.00 1.00 0.00 0.00 64.86 65.38 3m74 h ILE 86 Cb 0.14 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 3m74 h ILE 86 CO 0.01 0.03 -0.20 1.55 0.00 0.00 0.00 178.15 179.55 3m74 h PRO 87 N -1.10 0.21 -0.03 2.37 0.13 -1.71 -1.40 132.00 130.46 3m74 h PRO 87 Ca -0.08 -0.06 0.01 0.00 -0.87 0.00 0.00 66.00 65.01 3m74 h PRO 87 Cb 0.63 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.72 3m74 h PRO 87 CO 0.13 0.40 -0.05 0.82 -0.23 0.00 0.00 178.00 179.07 3m74 h ILE 88 N 0.19 0.86 -0.24 -3.56 2.04 -1.36 -1.52 117.51 113.91 3m74 h ILE 88 Ca 0.04 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.81 3m74 h ILE 88 Cb 0.46 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 3m74 h ILE 88 CO 0.03 0.00 -0.20 0.74 0.00 0.00 0.00 178.15 178.72 3m74 h THR 89 N -0.08 1.25 -0.63 -0.27 2.02 -0.96 -1.74 112.91 112.51 3m74 h THR 89 Ca 0.03 -1.14 -0.00 0.00 0.77 0.00 0.00 66.41 66.07 3m74 h THR 89 Cb 0.12 1.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 3m74 h THR 89 CO -0.08 0.36 0.38 0.74 0.37 0.00 0.00 175.52 177.30 3m74 h THR 90 N 0.40 1.18 -0.52 3.16 2.02 -1.04 0.29 112.91 118.41 3m74 h THR 90 Ca 0.07 -0.39 -0.07 0.00 0.77 0.00 0.00 66.41 66.78 3m74 h THR 90 Cb 0.58 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 3m74 h THR 90 CO 0.04 0.19 0.04 0.24 0.37 0.00 0.00 175.52 176.40 3m74 h MET 91 N 0.85 0.88 -0.64 6.66 2.86 -0.83 -1.59 114.93 123.12 3m74 h MET 91 Ca 0.23 -0.26 -0.06 0.00 -2.06 0.00 0.00 59.70 57.55 3m74 h MET 91 Cb -0.03 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.51 3m74 h MET 91 CO -0.04 0.89 0.18 -0.07 1.06 0.00 0.00 176.91 178.93 3m74 h LEU 92 N 0.76 0.95 -0.85 1.22 3.38 -0.94 0.86 115.31 120.69 3m74 h LEU 92 Ca 0.15 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3m74 h LEU 92 Cb 0.46 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 3m74 h LEU 92 CO 0.02 0.92 0.50 0.58 0.09 0.00 0.00 178.44 180.55 3m74 h VAL 93 N 0.94 1.24 -0.43 1.22 2.07 -0.89 -0.87 116.25 119.53 3m74 h VAL 93 Ca 0.20 -0.55 0.06 0.00 0.82 0.00 0.00 66.70 67.24 3m74 h VAL 93 Cb 0.33 0.07 -0.06 0.00 -1.52 0.00 0.00 31.29 30.11 3m74 h VAL 93 CO -0.00 0.26 0.11 1.23 0.02 0.00 0.00 177.57 179.19 3m74 h GLY 94 N 1.17 0.53 1.02 2.17 0.00 -0.52 -0.19 103.07 107.26 3m74 h GLY 94 Ca 0.30 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.58 3m74 h GLY 94 CO -0.05 -0.02 0.57 -0.55 0.00 0.00 0.00 176.54 176.48 3m74 h ASP 95 N 0.25 1.11 -0.01 0.19 5.19 -0.20 -1.26 116.42 121.69 3m74 h ASP 95 Ca 0.21 -0.06 -0.00 0.00 -0.62 0.00 0.00 57.03 56.55 3m74 h ASP 95 Cb 0.24 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 39.47 3m74 h ASP 95 CO -0.25 0.85 0.01 0.40 -3.12 0.00 0.00 179.24 177.12 3m74 h ILE 96 N 1.28 1.03 0.00 0.35 2.04 -0.70 -3.09 117.51 118.42 3m74 h ILE 96 Ca 0.34 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 66.10 3m74 h ILE 96 Cb -0.07 1.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 3m74 h ILE 96 CO -0.06 0.03 -0.00 -0.07 0.00 0.00 0.00 178.15 178.04 3m74 h LEU 97 N -0.02 0.00 -2.00 1.44 3.38 -0.51 -2.68 115.31 114.93 3m74 h LEU 97 Ca 0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.08 3m74 h LEU 97 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3m74 h LEU 97 CO -0.00 0.00 0.25 0.22 0.09 0.00 0.00 178.44 179.00 3m74 h TYR 98 N 0.00 0.01 0.00 1.13 3.20 -1.16 0.28 116.97 120.43 3m74 h TYR 98 Ca -0.00 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 3m74 h TYR 98 Cb 0.39 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.66 3m74 h TYR 98 CO 0.00 0.00 -0.02 0.07 -1.64 0.00 0.00 178.16 176.57 3m74 h ARG 99 N 0.01 0.00 0.00 1.82 0.11 -1.65 -3.27 114.38 111.39 3m74 h ARG 99 Ca 0.17 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 60.13 3m74 h ARG 99 Cb 0.66 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.72 3m74 h ARG 99 CO -0.00 0.02 -1.44 0.91 0.10 0.00 0.00 179.97 179.56 3m74 n TRP 100 N -3.15 0.00 -3.27 4.08 8.01 0.30 -4.96 117.44 118.45 3m74 n TRP 100 Ca -0.00 0.00 -0.09 0.00 -1.31 0.00 0.00 57.50 56.10 3m74 n TRP 100 Cb 0.26 -0.31 -0.04 0.00 -2.01 0.00 0.00 31.31 29.20 3m74 n TRP 100 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.69 177.89 3m74 s ASN 101 N -4.21 -0.16 0.56 -0.99 3.84 0.71 -5.03 114.94 109.66 3m74 s ASN 101 Ca -0.06 -1.29 0.23 0.00 0.21 0.00 0.00 52.86 51.95 3m74 s ASN 101 Cb 0.02 1.23 1.56 0.00 -0.55 0.00 0.00 41.25 43.51 3m74 s ASN 101 CO 0.23 -0.21 2.20 -0.65 -2.79 0.00 0.00 177.10 175.89 3m74 h PRO 102 N 6.88 0.00 -0.08 0.43 0.11 -1.76 -1.97 132.00 135.61 3m74 h PRO 102 Ca 0.06 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.13 3m74 h PRO 102 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3m74 h PRO 102 CO 0.15 0.00 -0.10 -0.07 -0.21 0.00 0.00 178.00 177.76 3m74 h LEU 103 N 0.00 0.23 -0.55 2.35 3.38 -1.94 -1.16 115.31 117.63 3m74 h LEU 103 Ca 0.00 -0.52 -0.10 0.00 0.09 0.00 0.00 57.88 57.36 3m74 h LEU 103 Cb 0.01 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3m74 h LEU 103 CO -0.00 0.70 -0.04 0.40 0.09 0.00 0.00 178.44 179.59 3m74 h ILE 104 N -0.23 1.27 -0.58 1.22 2.04 -1.90 -2.37 117.51 116.95 3m74 h ILE 104 Ca 0.01 -1.17 0.10 0.00 1.00 0.00 0.00 64.86 64.80 3m74 h ILE 104 Cb 0.64 0.92 -0.08 0.00 -0.74 0.00 0.00 36.82 37.57 3m74 h ILE 104 CO 0.02 0.42 0.16 0.00 0.00 0.00 0.00 178.15 178.75 3m74 h ALA 105 N 0.94 0.70 -0.49 1.87 0.00 -1.36 -1.78 119.26 119.14 3m74 h ALA 105 Ca 0.15 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 3m74 h ALA 105 Cb 0.59 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3m74 h ALA 105 CO 0.04 -0.26 -0.09 1.49 0.00 0.00 0.00 179.25 180.42 3m74 h GLU 106 N 0.31 0.90 -0.01 0.00 4.81 -0.89 -0.43 114.58 119.27 3m74 h GLU 106 Ca 0.29 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3m74 h GLU 106 Cb 0.40 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 3m74 h GLU 106 CO -0.34 0.95 -0.01 0.28 -0.73 0.00 0.00 179.01 179.16 3m74 h VAL 107 N 0.81 0.97 -0.91 0.32 2.07 -0.90 -0.97 116.25 117.64 3m74 h VAL 107 Ca 0.13 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.66 3m74 h VAL 107 Cb 0.61 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 3m74 h VAL 107 CO 0.04 0.00 0.60 -0.07 0.02 0.00 0.00 177.57 178.16 3m74 h LEU 108 N -0.02 1.05 -0.60 2.57 3.38 -1.03 -0.94 115.31 119.73 3m74 h LEU 108 Ca 0.01 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 3m74 h LEU 108 Cb 0.03 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 3m74 h LEU 108 CO -0.02 0.77 0.19 0.40 0.09 0.00 0.00 178.44 179.87 3m74 h ILE 109 N 1.24 1.24 -0.35 1.22 2.04 -0.71 -0.42 117.51 121.76 3m74 h ILE 109 Ca 0.33 -0.81 -0.15 0.00 1.00 0.00 0.00 64.86 65.23 3m74 h ILE 109 Cb -0.13 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 3m74 h ILE 109 CO -0.07 0.31 -0.38 -0.50 0.00 0.00 0.00 178.15 177.50 3m74 h TRP 110 N 0.85 1.01 -0.42 1.37 4.06 -0.90 -0.10 115.95 121.81 3m74 h TRP 110 Ca 0.19 -0.30 0.01 0.00 2.06 0.00 0.00 58.89 60.86 3m74 h TRP 110 Cb 0.28 -0.21 -0.02 0.00 -1.00 0.00 0.00 29.16 28.20 3m74 h TRP 110 CO 0.02 1.09 0.26 0.82 -3.56 0.00 0.00 178.44 177.08 3m74 h ILE 111 N 0.69 1.07 -0.29 1.49 2.04 -0.95 -0.04 117.51 121.53 3m74 h ILE 111 Ca 0.06 -0.18 -0.13 0.00 1.00 0.00 0.00 64.86 65.61 3m74 h ILE 111 Cb 0.96 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 3m74 h ILE 111 CO 0.09 0.10 -0.34 1.23 0.00 0.00 0.00 178.15 179.23 3m74 h GLY 112 N 0.54 0.69 0.65 5.37 0.00 -0.93 0.15 103.07 109.53 3m74 h GLY 112 Ca 0.16 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 3m74 h GLY 112 CO -0.06 0.59 -0.09 -0.84 0.00 0.00 0.00 176.54 176.14 3m74 h THR 113 N 0.54 0.90 -0.80 4.70 2.02 -0.81 -0.29 112.91 119.17 3m74 h THR 113 Ca 0.06 -0.69 -0.03 0.00 0.77 0.00 0.00 66.41 66.52 3m74 h THR 113 Cb 0.84 1.30 -0.04 0.00 -1.74 0.00 0.00 68.15 68.51 3m74 h THR 113 CO 0.07 0.15 0.38 0.40 0.37 0.00 0.00 175.52 176.89 3m74 h ILE 114 N -0.62 1.25 -0.38 3.11 2.04 -1.05 -1.47 117.51 120.40 3m74 h ILE 114 Ca -0.03 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 3m74 h ILE 114 Cb 0.45 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 3m74 h ILE 114 CO 0.04 0.30 0.19 1.23 0.00 0.00 0.00 178.15 179.92 3m74 h GLY 115 N 1.13 0.58 1.27 5.37 0.00 -0.94 -0.45 103.07 110.02 3m74 h GLY 115 Ca 0.27 -0.28 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 3m74 h GLY 115 CO -0.03 0.26 -0.31 0.06 0.00 0.00 0.00 176.54 176.52 3m74 h GLN 116 N 0.48 0.82 -0.50 4.80 -0.00 -0.85 -0.72 115.11 119.14 3m74 h GLN 116 Ca 0.13 -0.38 -0.09 0.00 -0.00 0.00 0.00 58.65 58.30 3m74 h GLN 116 Cb 0.09 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.48 27.55 3m74 h GLN 116 CO -0.02 1.02 -0.05 1.25 -0.00 0.00 0.00 178.83 181.03 3m74 h LEU 117 N 0.69 0.92 -0.58 0.06 5.85 -1.14 -1.10 115.31 120.01 3m74 h LEU 117 Ca 0.08 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 3m74 h LEU 117 Cb 0.86 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 3m74 h LEU 117 CO 0.08 1.03 0.25 -0.07 -0.34 0.00 0.00 178.44 179.38 3m74 h LEU 118 N 0.78 0.79 -0.03 2.25 3.38 -0.98 -0.52 115.31 120.98 3m74 h LEU 118 Ca 0.14 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.97 3m74 h LEU 118 Cb 0.59 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3m74 h LEU 118 CO 0.04 0.73 -0.08 0.15 0.09 0.00 0.00 178.44 179.36 3m74 h PHE 119 N 0.80 -0.20 -0.45 1.13 3.57 -0.82 0.60 116.94 121.56 3m74 h PHE 119 Ca 0.20 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.58 3m74 h PHE 119 Cb 0.17 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 3m74 h PHE 119 CO 0.01 -0.12 -0.20 0.77 -2.23 0.00 0.00 178.31 176.54 3m74 h SER 120 N -0.12 0.95 -0.81 0.41 0.02 -1.14 -0.65 113.55 112.21 3m74 h SER 120 Ca 0.04 -0.39 0.01 0.00 -0.84 0.00 0.00 61.79 60.61 3m74 h SER 120 Cb 0.18 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.42 3m74 h SER 120 CO -0.10 1.14 0.54 0.74 -1.14 0.00 0.00 176.83 178.00 3m74 h THR 121 N 0.77 1.20 -0.02 -2.27 2.02 -0.79 0.08 112.91 113.91 3m74 h THR 121 Ca 0.10 -0.37 -0.05 0.00 0.77 0.00 0.00 66.41 66.86 3m74 h THR 121 Cb 0.76 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 3m74 h THR 121 CO 0.06 0.20 -0.18 -0.07 0.37 0.00 0.00 175.52 175.90 3m74 h LEU 122 N 1.09 0.18 0.00 2.58 3.38 -0.72 -3.37 115.31 118.46 3m74 h LEU 122 Ca 0.30 -0.72 -0.41 0.00 0.09 0.00 0.00 57.88 57.13 3m74 h LEU 122 Cb -0.12 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.51 3m74 h LEU 122 CO -0.07 0.88 -2.49 -1.14 0.09 0.00 0.00 178.44 175.71 3m74 n ARG 123 N -4.57 0.63 -0.15 1.13 3.00 -0.27 -3.64 116.66 112.80 3m74 n ARG 123 Ca -0.09 0.18 -0.10 0.00 -0.00 0.00 0.00 57.85 57.84 3m74 n ARG 123 Cb 0.45 -1.52 -0.01 0.00 0.00 0.00 0.00 32.46 31.39 3m74 n ARG 123 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 3m74 h VAL 124 N -0.28 1.26 -0.60 5.15 2.07 -1.13 -2.81 116.25 119.90 3m74 h VAL 124 Ca -0.61 -1.01 -0.05 0.00 0.82 0.00 0.00 66.70 65.84 3m74 h VAL 124 Cb 1.82 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 32.62 3m74 h VAL 124 CO -0.18 0.35 0.17 0.77 0.02 0.00 0.00 177.57 178.70 3m74 h SER 125 N 0.61 0.85 -0.31 0.57 4.64 -1.69 -2.67 113.55 115.55 3m74 h SER 125 Ca 0.13 -0.15 0.05 0.00 -0.47 0.00 0.00 61.79 61.35 3m74 h SER 125 Cb 0.47 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 3m74 h SER 125 CO 0.02 0.81 0.21 -0.08 -0.87 0.00 0.00 176.83 176.93 3m74 h GLU 126 N 0.89 0.19 -0.44 4.77 4.81 -1.56 -0.49 114.58 122.74 3m74 h GLU 126 Ca 0.20 -0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.51 3m74 h GLU 126 Cb 0.28 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 3m74 h GLU 126 CO -0.01 0.12 0.31 -0.07 -0.73 0.00 0.00 179.01 178.63 3m74 h LEU 127 N 0.19 0.15 0.00 1.64 3.38 -1.37 -1.60 115.31 117.70 3m74 h LEU 127 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3m74 h LEU 127 Cb 0.30 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3m74 h LEU 127 CO -0.02 0.09 0.00 0.79 0.09 0.00 0.00 178.44 179.39 3m74 n TRP 128 N -4.45 0.00 0.47 1.13 8.01 -0.19 -1.77 117.44 120.63 3m74 n TRP 128 Ca 0.07 0.00 0.13 0.00 -1.31 0.00 0.00 57.50 56.38 3m74 n TRP 128 Cb 0.40 -0.28 0.46 0.00 -2.01 0.00 0.00 31.31 29.88 3m74 n TRP 128 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.69 178.64 3m74 h GLN 129 N 0.00 0.00 -0.29 -0.99 4.20 -1.45 -3.49 115.11 113.09 3m74 h GLN 129 Ca 0.00 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.74 3m74 h GLN 129 Cb 0.11 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 3m74 h GLN 129 CO 0.00 0.00 -0.10 0.41 -0.67 0.00 0.00 178.83 178.47 3m74 n GLY 130 N 0.50 -2.53 2.12 3.46 0.00 -0.73 -4.96 105.19 103.05 3m74 n GLY 130 Ca 0.03 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.62 3m74 n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m74 n GLY 131 N -2.30 1.44 0.84 -0.02 0.00 -1.26 -4.80 105.19 99.09 3m74 n GLY 131 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 3m74 n GLY 131 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3m74 n VAL 132 N -2.00 1.24 -1.80 1.61 0.31 -1.26 -4.98 118.33 111.45 3m74 n VAL 132 Ca 0.00 0.32 -0.41 0.00 -0.01 0.00 0.00 64.34 64.24 3m74 n VAL 132 Cb 0.00 -1.75 -0.01 0.00 -0.91 0.00 0.00 33.84 31.17 3m74 n VAL 132 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 3m74 s PHE 133 N -2.20 2.74 0.40 3.52 5.36 -1.26 -4.87 117.98 121.68 3m74 s PHE 133 Ca -0.07 0.86 0.06 0.00 -0.96 0.00 0.00 56.93 56.83 3m74 s PHE 133 Cb 0.01 -4.04 -0.07 0.00 -0.34 0.00 0.00 43.02 38.57 3m74 s PHE 133 CO 0.10 -3.43 0.02 -1.21 -1.46 0.00 0.00 175.22 169.23 3m74 s GLU 134 N -0.76 1.92 0.27 10.12 2.02 -1.26 -5.00 118.70 126.02 3m74 s GLU 134 Ca 0.61 -2.10 -0.01 0.00 0.02 0.00 0.00 54.97 53.50 3m74 s GLU 134 Cb -0.47 -1.49 0.49 0.00 0.10 0.00 0.00 34.13 32.76 3m74 s GLU 134 CO 0.50 -0.10 1.84 0.37 0.02 0.00 0.00 175.26 177.90 3m74 h GLN 135 N 1.80 0.97 0.00 1.61 5.75 -2.01 -0.10 115.11 123.13 3m74 h GLN 135 Ca -0.43 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.01 3m74 h GLN 135 Cb 1.25 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 29.58 3m74 h GLN 135 CO 0.78 0.64 0.00 0.36 -2.65 0.00 0.00 178.83 177.97 3m74 n LYS 136 N -4.62 0.07 0.00 1.69 2.85 -1.26 -2.07 118.16 114.83 3m74 n LYS 136 Ca 0.17 0.25 0.15 0.00 -1.05 0.00 0.00 58.31 57.83 3m74 n LYS 136 Cb 0.30 -1.50 0.76 0.00 -0.65 0.00 0.00 35.03 33.94 3m74 n LYS 136 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 3m74 n SER 137 N -1.41 0.14 -4.57 -5.58 7.64 -0.05 -4.72 113.62 105.07 3m74 n SER 137 Ca 0.04 -0.46 -0.43 0.00 1.01 0.00 0.00 58.87 59.03 3m74 n SER 137 Cb 0.12 -0.16 -0.01 0.00 -1.01 0.00 0.00 64.21 63.15 3m74 n SER 137 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3m74 s THR 138 N -2.41 4.09 0.16 0.44 2.01 -0.88 -4.77 115.64 114.29 3m74 s THR 138 Ca 0.33 -1.67 0.10 0.00 0.31 0.00 0.00 61.69 60.76 3m74 s THR 138 Cb 0.21 -5.16 -0.04 0.00 0.01 0.00 0.00 72.50 67.51 3m74 s THR 138 CO 0.44 -2.00 -0.16 -1.00 -0.69 0.00 0.00 174.62 171.21 3m74 s HIS 139 N 4.35 2.51 0.57 4.92 3.76 -1.26 -4.88 115.29 125.25 3m74 s HIS 139 Ca 0.52 -0.27 0.27 0.00 -0.15 0.00 0.00 55.06 55.42 3m74 s HIS 139 Cb 0.03 -1.26 1.54 0.00 1.11 0.00 0.00 32.58 34.00 3m74 s HIS 139 CO 0.04 0.47 2.06 -1.35 -0.85 0.00 0.00 174.74 175.11 3m74 h PRO 140 N 3.25 0.00 -0.09 8.40 0.11 -1.92 -1.93 132.00 139.82 3m74 h PRO 140 Ca -0.48 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.66 3m74 h PRO 140 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3m74 h PRO 140 CO 0.50 0.00 0.13 0.66 -0.21 0.00 0.00 178.00 179.08 3m74 h SER 141 N 0.00 0.00 -0.16 -2.05 4.64 -1.94 -1.55 113.55 112.48 3m74 h SER 141 Ca 0.13 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.49 3m74 h SER 141 Cb 0.62 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.70 3m74 h SER 141 CO -0.00 0.00 0.18 0.15 -0.87 0.00 0.00 176.83 176.29 3m74 h PHE 142 N 0.00 0.00 0.00 4.77 3.57 -1.68 -0.70 116.94 122.90 3m74 h PHE 142 Ca 0.04 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 3m74 h PHE 142 Cb 0.30 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.04 3m74 h PHE 142 CO 0.00 0.00 -0.02 1.88 -2.23 0.00 0.00 178.31 177.94 3m74 h TYR 143 N 0.00 0.00 0.30 0.41 0.05 -1.50 -2.95 116.97 113.27 3m74 h TYR 143 Ca 0.08 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.84 3m74 h TYR 143 Cb 0.43 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.18 3m74 h TYR 143 CO 0.00 0.02 -0.14 -0.07 -1.05 0.00 0.00 178.16 176.91 3m74 h LEU 144 N 0.00 -0.34 -0.20 3.88 3.38 -1.33 0.76 115.31 121.46 3m74 h LEU 144 Ca -0.00 -0.16 -0.19 0.00 0.09 0.00 0.00 57.88 57.62 3m74 h LEU 144 Cb 0.09 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3m74 h LEU 144 CO 0.00 -0.01 -0.89 1.55 0.09 0.00 0.00 178.44 179.18 3m74 h PRO 145 N -0.70 0.00 0.09 1.13 0.13 -1.75 -1.54 132.00 129.36 3m74 h PRO 145 Ca -0.04 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.81 3m74 h PRO 145 Cb 0.48 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 3m74 h PRO 145 CO 0.07 0.89 -1.34 0.00 -0.23 0.00 0.00 178.00 177.39 3m74 h ALA 146 N 1.11 0.26 0.00 -0.56 0.00 -1.54 -3.40 119.26 115.13 3m74 h ALA 146 Ca -0.01 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 53.88 3m74 h ALA 146 Cb 1.59 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.49 3m74 h ALA 146 CO 0.12 1.13 0.00 0.28 0.00 0.00 0.00 179.25 180.78 3m74 n VAL 147 N -3.43 0.58 -0.32 0.00 0.31 -0.18 -4.61 118.33 110.68 3m74 n VAL 147 Ca -0.10 0.19 -0.00 0.00 -0.01 0.00 0.00 64.34 64.42 3m74 n VAL 147 Cb 1.02 -1.08 0.17 0.00 -0.91 0.00 0.00 33.84 33.03 3m74 n VAL 147 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3m74 h ALA 148 N 0.00 1.37 -0.79 3.52 0.00 -0.93 -1.63 119.26 120.79 3m74 h ALA 148 Ca 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3m74 h ALA 148 Cb 0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.40 3m74 h ALA 148 CO 0.00 0.57 0.32 0.00 0.00 0.00 0.00 179.25 180.14 3m74 h ALA 149 N 1.44 1.07 -0.37 0.00 0.00 -1.49 -1.05 119.26 118.85 3m74 h ALA 149 Ca 0.34 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 3m74 h ALA 149 Cb -0.10 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 3m74 h ALA 149 CO -0.08 0.66 -0.32 -0.91 0.00 0.00 0.00 179.25 178.60 3m74 h ASN 150 N 1.15 0.92 -0.33 0.00 2.35 -1.63 -1.86 115.58 116.18 3m74 h ASN 150 Ca 0.27 -0.45 -0.06 0.00 -0.55 0.00 0.00 56.30 55.51 3m74 h ASN 150 Cb 0.21 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 3m74 h ASN 150 CO -0.02 1.18 0.03 -0.26 -1.65 0.00 0.00 177.43 176.71 3m74 h PHE 151 N 0.67 0.69 -0.31 1.19 0.04 -1.08 -0.84 116.94 117.31 3m74 h PHE 151 Ca 0.07 -0.07 -0.08 0.00 2.80 0.00 0.00 57.97 60.68 3m74 h PHE 151 Cb 0.90 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.84 3m74 h PHE 151 CO 0.06 0.64 -0.10 1.15 -0.60 0.00 0.00 178.31 179.46 3m74 h THR 152 N 0.64 1.29 -1.01 -1.55 2.02 -1.04 -1.70 112.91 111.55 3m74 h THR 152 Ca 0.13 -1.17 0.02 0.00 0.77 0.00 0.00 66.41 66.16 3m74 h THR 152 Cb 0.35 1.40 -0.05 0.00 -1.74 0.00 0.00 68.15 68.11 3m74 h THR 152 CO 0.01 0.38 0.66 0.28 0.37 0.00 0.00 175.52 177.22 3m74 h SER 153 N 0.38 1.13 -0.14 4.18 0.02 -1.09 -0.75 113.55 117.28 3m74 h SER 153 Ca 0.07 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 3m74 h SER 153 Cb 0.61 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 3m74 h SER 153 CO 0.04 0.80 0.05 0.00 -1.14 0.00 0.00 176.83 176.58 3m74 h ALA 154 N 1.39 0.15 -0.39 3.77 0.00 -0.72 0.37 119.26 123.82 3m74 h ALA 154 Ca 0.38 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 3m74 h ALA 154 Cb -0.10 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3m74 h ALA 154 CO -0.10 -0.40 0.11 0.77 0.00 0.00 0.00 179.25 179.63 3m74 h SER 155 N 0.12 0.58 -0.51 0.00 0.02 -1.11 -1.97 113.55 110.69 3m74 h SER 155 Ca 0.06 -0.22 -0.11 0.00 -0.84 0.00 0.00 61.79 60.68 3m74 h SER 155 Cb 0.03 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 3m74 h SER 155 CO -0.06 0.65 -0.12 0.28 -1.14 0.00 0.00 176.83 176.44 3m74 h SER 156 N 0.49 0.98 -0.02 3.07 0.02 -0.97 -1.38 113.55 115.73 3m74 h SER 156 Ca 0.12 -0.36 -0.12 0.00 -0.84 0.00 0.00 61.79 60.60 3m74 h SER 156 Cb 0.28 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 3m74 h SER 156 CO -0.00 1.11 -0.35 -0.07 -1.14 0.00 0.00 176.83 176.38 3m74 h LEU 157 N 0.84 0.53 -0.84 5.07 3.38 -0.88 -2.51 115.31 120.89 3m74 h LEU 157 Ca 0.13 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 3m74 h LEU 157 Cb 0.68 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 3m74 h LEU 157 CO 0.05 0.84 0.30 0.00 0.09 0.00 0.00 178.44 179.72 3m74 h ALA 158 N 1.19 1.08 -0.88 1.53 0.00 -1.11 0.52 119.26 121.58 3m74 h ALA 158 Ca 0.05 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 54.87 3m74 h ALA 158 Cb 0.81 -0.30 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 3m74 h ALA 158 CO 0.07 0.65 0.57 1.25 0.00 0.00 0.00 179.25 181.79 3m74 h LEU 159 N 1.12 0.76 -0.23 0.00 5.85 -0.83 0.19 115.31 122.17 3m74 h LEU 159 Ca 0.26 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.00 3m74 h LEU 159 Cb 0.22 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.12 3m74 h LEU 159 CO -0.02 0.43 -0.06 0.18 -0.34 0.00 0.00 178.44 178.63 3m74 n LEU 160 N -4.54 0.42 0.00 2.25 4.77 -0.83 -4.90 117.00 114.17 3m74 n LEU 160 Ca 0.16 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 3m74 n LEU 160 Cb 0.34 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3m74 n LEU 160 CO 0.31 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 3m74 n GLY 161 N 1.22 0.85 2.85 -0.72 0.00 0.06 -5.01 105.19 104.44 3m74 n GLY 161 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3m74 n GLY 161 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3m74 n TYR 162 N -2.25 2.46 -0.15 1.61 4.01 0.11 -4.83 117.16 118.13 3m74 n TYR 162 Ca 0.00 -2.60 -0.10 0.00 -0.16 0.00 0.00 57.90 55.04 3m74 n TYR 162 Cb 0.00 -1.34 -0.01 0.00 -0.31 0.00 0.00 39.34 37.68 3m74 n TYR 162 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3m74 h HIS 163 N 5.06 0.78 -0.52 -0.72 3.86 -1.85 -0.11 115.15 121.66 3m74 h HIS 163 Ca 0.34 -0.13 -0.11 0.00 -1.16 0.00 0.00 60.37 59.32 3m74 h HIS 163 Cb 0.51 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.76 3m74 h HIS 163 CO 1.17 0.77 -0.10 -0.44 0.86 0.00 0.00 177.93 180.19 3m74 h ASP 164 N 0.57 0.99 -0.84 2.45 3.32 -1.97 0.47 116.42 121.40 3m74 h ASP 164 Ca 0.12 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 56.81 3m74 h ASP 164 Cb 0.44 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.69 3m74 h ASP 164 CO 0.02 1.10 0.47 -0.07 -1.72 0.00 0.00 179.24 179.04 3m74 h LEU 165 N 0.85 1.04 -0.99 1.55 3.38 -1.95 -2.14 115.31 117.05 3m74 h LEU 165 Ca 0.14 -0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.08 3m74 h LEU 165 Cb 0.66 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.07 3m74 h LEU 165 CO 0.05 0.83 0.64 1.23 0.09 0.00 0.00 178.44 181.28 3m74 h GLY 166 N 1.16 1.52 1.54 0.83 0.00 -0.28 -2.04 103.07 105.80 3m74 h GLY 166 Ca 0.30 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 3m74 h GLY 166 CO -0.05 0.31 0.07 -0.97 0.00 0.00 0.00 176.54 175.90 3m74 h TYR 167 N 1.13 0.60 -0.15 5.60 -1.99 -0.28 0.99 116.97 122.87 3m74 h TYR 167 Ca 0.44 -0.05 -0.00 0.00 2.00 0.00 0.00 58.73 61.12 3m74 h TYR 167 Cb 0.21 -0.18 -0.01 0.00 2.00 0.00 0.00 36.73 38.75 3m74 h TYR 167 CO -0.01 0.54 0.08 -0.07 -0.00 0.00 0.00 178.16 178.70 3m74 h LEU 168 N 0.57 0.20 -0.81 3.88 3.38 -1.03 -0.04 115.31 121.46 3m74 h LEU 168 Ca 0.13 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 3m74 h LEU 168 Cb 0.25 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3m74 h LEU 168 CO 0.00 0.23 0.07 -0.26 0.09 0.00 0.00 178.44 178.57 3m74 h PHE 169 N 0.15 1.03 -0.20 1.13 0.04 -1.12 -1.50 116.94 116.47 3m74 h PHE 169 Ca 0.05 -0.14 0.04 0.00 2.80 0.00 0.00 57.97 60.73 3m74 h PHE 169 Cb 0.08 -0.28 -0.04 0.00 2.20 0.00 0.00 35.95 37.91 3m74 h PHE 169 CO -0.04 0.88 -0.05 0.35 -0.60 0.00 0.00 178.31 178.86 3m74 h PHE 170 N 0.91 -0.11 -0.77 -0.55 3.57 -0.60 -1.55 116.94 117.84 3m74 h PHE 170 Ca 0.18 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 3m74 h PHE 170 Cb 0.43 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.21 3m74 h PHE 170 CO 0.03 -0.09 0.41 0.78 -2.23 0.00 0.00 178.31 177.21 3m74 h GLY 171 N -0.00 1.16 0.80 2.40 0.00 -0.69 0.76 103.07 107.50 3m74 h GLY 171 Ca 0.09 -0.54 0.03 0.00 0.00 0.00 0.00 47.33 46.91 3m74 h GLY 171 CO -0.20 0.52 0.22 0.00 0.00 0.00 0.00 176.54 177.08 3m74 h ALA 172 N 1.21 0.54 -0.40 3.60 0.00 -1.04 -1.12 119.26 122.05 3m74 h ALA 172 Ca 0.27 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.06 3m74 h ALA 172 Cb 0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3m74 h ALA 172 CO -0.04 -0.13 -0.28 0.78 0.00 0.00 0.00 179.25 179.58 3m74 h GLY 173 N 0.45 0.98 0.80 0.00 0.00 -0.83 -1.23 103.07 103.23 3m74 h GLY 173 Ca 0.18 -0.94 -0.06 0.00 0.00 0.00 0.00 47.33 46.52 3m74 h GLY 173 CO -0.12 0.85 -0.10 1.98 0.00 0.00 0.00 176.54 179.15 3m74 h MET 174 N 0.72 0.41 -0.20 4.80 -1.53 -0.65 -1.45 114.93 117.03 3m74 h MET 174 Ca 0.08 -0.18 -0.19 0.00 -3.44 0.00 0.00 59.70 55.97 3m74 h MET 174 Cb 0.87 -0.01 0.00 0.00 -0.55 0.00 0.00 31.60 31.91 3m74 h MET 174 CO 0.08 0.71 -0.62 0.82 0.14 0.00 0.00 176.91 178.04 3m74 h ILE 175 N 0.10 1.30 -0.94 1.77 2.04 -1.27 -2.38 117.51 118.12 3m74 h ILE 175 Ca 0.04 -1.85 0.10 0.00 1.00 0.00 0.00 64.86 64.15 3m74 h ILE 175 Cb 0.60 1.80 -0.07 0.00 -0.74 0.00 0.00 36.82 38.41 3m74 h ILE 175 CO 0.03 0.59 0.60 0.00 0.00 0.00 0.00 178.15 179.37 3m74 h ALA 176 N 0.77 1.57 0.44 1.87 0.00 -1.15 -0.91 119.26 121.86 3m74 h ALA 176 Ca -0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3m74 h ALA 176 Cb 1.21 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3m74 h ALA 176 CO 0.13 0.24 -0.21 2.35 0.00 0.00 0.00 179.25 181.75 3m74 h TRP 177 N 0.96 -0.55 0.00 0.00 7.01 -1.01 -1.53 115.95 120.83 3m74 h TRP 177 Ca 0.44 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.40 3m74 h TRP 177 Cb 0.39 0.18 -0.00 0.00 -2.10 0.00 0.00 29.16 27.63 3m74 h TRP 177 CO -0.00 -0.31 -0.11 0.82 -2.79 0.00 0.00 178.44 176.05 3m74 h ILE 178 N -0.67 0.88 0.00 2.65 1.08 -1.10 -0.56 117.51 119.79 3m74 h ILE 178 Ca -0.06 -0.42 -0.15 0.00 -0.39 0.00 0.00 64.86 63.84 3m74 h ILE 178 Cb 0.50 1.24 -0.02 0.00 -3.07 0.00 0.00 36.82 35.46 3m74 h ILE 178 CO 0.10 0.11 -0.78 0.40 -0.69 0.00 0.00 178.15 177.29 3m74 h ILE 179 N 0.00 1.18 0.10 -0.67 2.04 -0.99 -3.37 117.51 115.80 3m74 h ILE 179 Ca -0.00 -2.70 -0.33 0.00 1.00 0.00 0.00 64.86 62.83 3m74 h ILE 179 Cb 0.23 2.57 -0.02 0.00 -0.74 0.00 0.00 36.82 38.86 3m74 h ILE 179 CO 0.01 0.67 -1.80 0.15 0.00 0.00 0.00 178.15 177.18 3m74 h PHE 180 N 0.00 0.38 -0.85 1.37 3.57 -0.64 -3.41 116.94 117.36 3m74 h PHE 180 Ca -0.02 -0.28 0.11 0.00 3.53 0.00 0.00 57.97 61.31 3m74 h PHE 180 Cb 1.57 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 40.23 3m74 h PHE 180 CO 0.00 1.71 0.55 1.49 -2.23 0.00 0.00 178.31 179.84 3m74 h GLU 181 N -0.19 0.75 -0.67 1.11 4.81 -1.28 -1.97 114.58 117.13 3m74 h GLU 181 Ca -0.40 -0.05 0.09 0.00 -0.13 0.00 0.00 59.36 58.87 3m74 h GLU 181 Cb 1.86 -0.17 -0.07 0.00 0.63 0.00 0.00 28.75 31.00 3m74 h GLU 181 CO 0.02 0.50 0.32 -1.35 -0.73 0.00 0.00 179.01 177.77 3m74 h PRO 182 N 0.77 0.55 0.00 0.92 0.11 -1.79 -0.31 132.00 132.25 3m74 h PRO 182 Ca 0.40 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 66.32 3m74 h PRO 182 Cb 0.51 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.47 3m74 h PRO 182 CO -0.17 0.36 -0.77 -0.39 -0.21 0.00 0.00 178.00 176.82 3m74 h VAL 183 N 0.56 1.47 0.16 3.15 -1.51 -1.64 -2.64 116.25 115.80 3m74 h VAL 183 Ca 0.33 -2.70 -0.01 0.00 -1.23 0.00 0.00 66.70 63.09 3m74 h VAL 183 Cb 0.34 2.49 0.00 0.00 -2.13 0.00 0.00 31.29 31.99 3m74 h VAL 183 CO -0.26 0.75 -0.08 0.25 -1.23 0.00 0.00 177.57 177.00 3m74 h LEU 184 N 0.00 -0.19 -1.01 4.19 5.85 -0.94 -1.64 115.31 121.58 3m74 h LEU 184 Ca -0.01 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.50 3m74 h LEU 184 Cb 1.43 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.49 3m74 h LEU 184 CO 0.10 0.02 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.01 3m74 h LEU 185 N -0.39 0.54 -0.69 2.25 3.38 -1.10 -0.53 115.31 118.77 3m74 h LEU 185 Ca -0.02 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 3m74 h LEU 185 Cb 0.31 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3m74 h LEU 185 CO 0.04 0.71 0.34 -0.61 0.09 0.00 0.00 178.44 179.00 3m74 h GLN 186 N 0.50 0.98 -0.46 1.13 5.75 -1.47 -1.05 115.11 120.49 3m74 h GLN 186 Ca 0.09 -0.14 -0.02 0.00 -0.15 0.00 0.00 58.65 58.43 3m74 h GLN 186 Cb 0.54 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.89 3m74 h GLN 186 CO 0.03 0.77 0.20 1.25 -2.65 0.00 0.00 178.83 178.44 3m74 h HIS 187 N 0.95 0.68 -0.91 3.99 2.76 -0.70 -2.27 115.15 119.66 3m74 h HIS 187 Ca 0.24 -0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.35 3m74 h HIS 187 Cb 0.10 -0.21 -0.04 0.00 1.55 0.00 0.00 27.41 28.81 3m74 h HIS 187 CO 0.00 0.56 0.51 -0.07 -1.30 0.00 0.00 177.93 177.63 3m74 h LEU 188 N 0.60 1.13 -0.79 0.26 3.38 -0.92 0.13 115.31 119.09 3m74 h LEU 188 Ca 0.16 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.05 3m74 h LEU 188 Cb 0.15 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 3m74 h LEU 188 CO -0.02 0.89 0.51 0.03 0.09 0.00 0.00 178.44 179.95 3m74 h ARG 189 N 1.27 1.00 0.05 1.13 3.08 -0.91 -1.99 114.38 117.99 3m74 h ARG 189 Ca 0.32 -0.06 -0.18 0.00 0.07 0.00 0.00 59.98 60.13 3m74 h ARG 189 Cb 0.01 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 3m74 h ARG 189 CO -0.05 0.66 -0.92 0.82 -1.07 0.00 0.00 179.97 179.40 3m74 h ILE 190 N 1.03 1.24 0.00 2.04 2.04 -1.03 -3.43 117.51 119.40 3m74 h ILE 190 Ca 0.30 -2.32 -0.01 0.00 1.00 0.00 0.00 64.86 63.84 3m74 h ILE 190 Cb -0.05 2.78 -0.00 0.00 -0.74 0.00 0.00 36.82 38.81 3m74 h ILE 190 CO -0.09 0.55 -1.02 -1.20 0.00 0.00 0.00 178.15 176.39 3m74 n SER 191 N -4.30 4.71 0.00 1.72 7.64 0.36 -5.11 113.62 118.64 3m74 n SER 191 Ca -0.22 -0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.66 3m74 n SER 191 Cb 0.70 0.39 0.00 0.00 -1.01 0.00 0.00 64.21 64.29 3m74 n SER 191 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3m74 n SER 192 N -2.13 0.00 -4.08 6.43 2.88 -0.62 -4.82 113.62 111.29 3m74 n SER 192 Ca -0.01 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.33 3m74 n SER 192 Cb 0.51 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.82 3m74 n SER 192 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3m74 s LEU 193 N 0.00 2.04 0.62 2.46 1.43 -1.26 -4.77 118.68 119.20 3m74 s LEU 193 Ca 0.00 -0.25 -0.18 0.00 -1.03 0.00 0.00 54.13 52.67 3m74 s LEU 193 Cb 0.00 -0.61 -0.02 0.00 0.03 0.00 0.00 46.19 45.59 3m74 s LEU 193 CO 0.00 0.13 1.20 -1.61 0.23 0.00 0.00 176.35 176.30 3m74 s GLU 194 N -0.39 2.83 0.43 1.70 2.02 -1.26 -4.79 118.70 119.23 3m74 s GLU 194 Ca 0.04 1.78 0.21 0.00 0.02 0.00 0.00 54.97 57.02 3m74 s GLU 194 Cb -0.05 -1.92 1.18 0.00 0.10 0.00 0.00 34.13 33.44 3m74 s GLU 194 CO -0.00 -1.30 1.80 -1.35 0.02 0.00 0.00 175.26 174.43 3m74 h PRO 195 N 0.63 0.32 0.00 0.39 0.11 -1.97 0.11 132.00 131.59 3m74 h PRO 195 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3m74 h PRO 195 Cb 1.29 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3m74 h PRO 195 CO 0.54 0.21 0.00 -0.56 -0.21 0.00 0.00 178.00 177.98 3m74 h GLN 196 N 0.32 0.00 -0.01 1.05 -0.00 -1.98 -1.56 115.11 112.94 3m74 h GLN 196 Ca 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.20 3m74 h GLN 196 Cb 1.53 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.01 3m74 h GLN 196 CO -0.21 0.00 -0.32 1.19 -0.00 0.00 0.00 178.83 179.48 3m74 n PHE 197 N -2.93 0.00 0.24 0.06 3.72 0.34 -4.69 117.46 114.19 3m74 n PHE 197 Ca -0.00 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.50 3m74 n PHE 197 Cb 0.23 0.00 0.58 0.00 -0.94 0.00 0.00 39.48 39.35 3m74 n PHE 197 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3m74 h ARG 198 N 1.56 0.00 0.00 -1.08 2.43 -1.00 -1.45 114.38 114.84 3m74 h ARG 198 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3m74 h ARG 198 Cb 0.49 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 3m74 h ARG 198 CO 0.00 0.20 -0.11 0.00 -1.51 0.00 0.00 179.97 178.55 3m74 h ALA 199 N 1.80 1.50 0.00 2.80 0.00 -1.79 0.08 119.26 123.64 3m74 h ALA 199 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3m74 h ALA 199 Cb 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3m74 h ALA 199 CO 0.03 0.14 0.00 0.25 0.00 0.00 0.00 179.25 179.66 3m74 n THR 200 N -3.94 1.18 0.24 0.00 -2.24 -0.55 -1.33 114.28 107.63 3m74 n THR 200 Ca -0.02 0.29 0.17 0.00 -2.27 0.00 0.00 64.05 62.22 3m74 n THR 200 Cb 0.20 -1.11 0.86 0.00 -2.10 0.00 0.00 70.33 68.18 3m74 n THR 200 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 3m74 h MET 201 N 0.00 0.00 0.00 -0.78 2.07 -1.13 -0.35 114.93 114.74 3m74 h MET 201 Ca 0.00 0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 57.63 3m74 h MET 201 Cb 0.17 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 29.90 3m74 h MET 201 CO 0.00 0.00 -0.02 0.78 1.07 0.00 0.00 176.91 178.74 3m74 h GLY 202 N 0.00 0.00 2.00 8.32 0.00 -1.41 -0.79 103.07 111.19 3m74 h GLY 202 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 3m74 h GLY 202 CO -0.00 0.00 -0.08 -2.22 0.00 0.00 0.00 176.54 174.24 3m74 h ILE 203 N 0.00 0.47 0.00 2.60 2.04 -1.13 -1.94 117.51 119.56 3m74 h ILE 203 Ca -0.00 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 3m74 h ILE 203 Cb 0.04 1.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 3m74 h ILE 203 CO 0.00 0.08 -0.05 0.58 0.00 0.00 0.00 178.15 178.76 3m74 h VAL 204 N 0.00 0.44 0.00 1.67 2.07 -1.28 -0.91 116.25 118.24 3m74 h VAL 204 Ca -0.00 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.21 3m74 h VAL 204 Cb 0.26 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 3m74 h VAL 204 CO 0.01 0.05 -0.26 0.25 0.02 0.00 0.00 177.57 177.65 3m74 h LEU 205 N 0.00 0.00 -0.08 2.57 5.85 -1.49 -3.37 115.31 118.80 3m74 h LEU 205 Ca -0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3m74 h LEU 205 Cb 0.17 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 3m74 h LEU 205 CO 0.01 0.26 -0.05 0.00 -0.34 0.00 0.00 178.44 178.31 3m74 h ALA 206 N 1.74 0.11 -0.35 1.25 0.00 -1.30 -3.39 119.26 117.32 3m74 h ALA 206 Ca -0.00 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 54.72 3m74 h ALA 206 Cb 0.56 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.24 3m74 h ALA 206 CO 0.03 -0.12 -0.36 -1.35 0.00 0.00 0.00 179.25 177.46 3m74 h PRO 207 N -0.23 -0.30 -0.58 0.00 0.11 -1.73 0.13 132.00 129.40 3m74 h PRO 207 Ca 0.02 0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.09 3m74 h PRO 207 Cb 0.52 0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.67 3m74 h PRO 207 CO 0.01 -0.20 0.13 0.00 -0.21 0.00 0.00 178.00 177.74 3m74 h ALA 208 N 0.58 1.13 -0.09 -0.75 0.00 -1.89 0.85 119.26 119.10 3m74 h ALA 208 Ca 0.15 -0.22 -0.21 0.00 0.00 0.00 0.00 54.91 54.63 3m74 h ALA 208 Cb 0.56 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.13 3m74 h ALA 208 CO -0.52 0.58 -0.77 0.74 0.00 0.00 0.00 179.25 179.29 3m74 h PHE 209 N 0.87 0.94 -0.28 0.00 0.04 -1.54 -1.39 116.94 115.58 3m74 h PHE 209 Ca 0.19 -0.45 -0.09 0.00 2.80 0.00 0.00 57.97 60.42 3m74 h PHE 209 Cb 0.33 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 3m74 h PHE 209 CO 0.02 1.27 -0.20 -0.39 -0.60 0.00 0.00 178.31 178.42 3m74 h VAL 210 N 0.35 1.25 0.29 -0.55 -1.51 -0.70 -0.96 116.25 114.42 3m74 h VAL 210 Ca -0.07 -1.17 -0.01 0.00 -1.23 0.00 0.00 66.70 64.21 3m74 h VAL 210 Cb 1.41 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 31.83 3m74 h VAL 210 CO 0.16 0.38 -0.14 0.00 -1.23 0.00 0.00 177.57 176.73 3m74 h VAL 212 N -0.54 1.25 -0.11 0.00 3.04 -1.17 0.21 116.25 118.93 3m74 h VAL 212 Ca -0.04 -1.17 0.00 0.00 -1.01 0.00 0.00 66.70 64.48 3m74 h VAL 212 Cb 0.40 1.20 -0.01 0.00 -2.01 0.00 0.00 31.29 30.88 3m74 h VAL 212 CO 0.07 0.38 0.07 -1.28 -1.01 0.00 0.00 177.57 175.80 3m74 h SER 213 N 0.52 0.13 -0.74 3.17 0.87 -1.16 -0.25 113.55 116.09 3m74 h SER 213 Ca 0.09 -0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.59 3m74 h SER 213 Cb 0.60 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.50 3m74 h SER 213 CO 0.04 0.11 0.28 0.00 -0.53 0.00 0.00 176.83 176.73 3m74 h ALA 214 N 1.03 0.96 -0.14 6.23 0.00 -1.00 -1.85 119.26 124.50 3m74 h ALA 214 Ca 0.04 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3m74 h ALA 214 Cb -0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3m74 h ALA 214 CO -0.01 0.60 0.08 -0.92 0.00 0.00 0.00 179.25 179.00 3m74 h TYR 215 N 1.07 0.19 0.00 0.00 3.20 -0.68 -1.79 116.97 118.96 3m74 h TYR 215 Ca 0.25 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.06 3m74 h TYR 215 Cb 0.23 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 3m74 h TYR 215 CO 0.02 0.16 -0.27 -0.07 -1.64 0.00 0.00 178.16 176.37 3m74 h LEU 216 N 0.15 0.00 -0.77 2.82 3.38 -0.94 0.20 115.31 120.16 3m74 h LEU 216 Ca 0.05 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 3m74 h LEU 216 Cb 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3m74 h LEU 216 CO -0.01 0.27 -0.21 0.28 0.09 0.00 0.00 178.44 178.86 3m74 h SER 217 N 0.00 0.72 0.69 -0.43 0.02 -0.80 0.22 113.55 113.97 3m74 h SER 217 Ca -0.00 -0.25 -0.26 0.00 -0.84 0.00 0.00 61.79 60.44 3m74 h SER 217 Cb 0.49 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 3m74 h SER 217 CO 0.03 0.92 -1.32 0.40 -1.14 0.00 0.00 176.83 175.71 3m74 h ILE 218 N 0.63 1.36 -0.54 3.27 2.04 -0.68 -3.34 117.51 120.24 3m74 h ILE 218 Ca 0.09 -3.05 -0.09 0.00 1.00 0.00 0.00 64.86 62.81 3m74 h ILE 218 Cb 0.69 2.76 -0.05 0.00 -0.74 0.00 0.00 36.82 39.48 3m74 h ILE 218 CO 0.05 0.83 0.11 -0.46 0.00 0.00 0.00 178.15 178.68 3m74 n ASN 219 N -3.35 4.60 -1.99 1.72 6.94 -0.00 -4.89 115.26 118.29 3m74 n ASN 219 Ca -0.09 -2.87 -0.17 0.00 -0.02 0.00 0.00 54.58 51.43 3m74 n ASN 219 Cb 1.00 -0.68 0.00 0.00 -2.36 0.00 0.00 39.78 37.75 3m74 n ASN 219 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 3m74 n HIS 220 N 0.23 -0.95 -1.47 -2.53 8.25 -1.17 -3.07 115.22 114.51 3m74 n HIS 220 Ca 0.28 0.09 -0.08 0.00 -0.26 0.00 0.00 57.72 57.75 3m74 n HIS 220 Cb 1.11 -3.43 -0.03 0.00 1.12 0.00 0.00 29.99 28.77 3m74 n HIS 220 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3m74 n GLY 221 N -1.09 0.75 3.60 -1.41 0.00 0.76 -4.98 105.19 102.81 3m74 n GLY 221 Ca -0.17 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 3m74 n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3m74 s GLU 222 N -3.13 3.69 -0.78 1.61 2.12 -1.18 -4.83 118.70 116.21 3m74 s GLU 222 Ca 0.00 0.51 -0.24 0.00 0.36 0.00 0.00 54.97 55.60 3m74 s GLU 222 Cb 0.00 -3.92 0.06 0.00 0.26 0.00 0.00 34.13 30.53 3m74 s GLU 222 CO 0.00 -1.39 1.19 0.08 -0.54 0.00 0.00 175.26 174.60 3m74 s VAL 223 N 4.42 4.05 0.00 3.70 1.01 -1.26 -4.89 120.40 127.43 3m74 s VAL 223 Ca 0.47 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.21 3m74 s VAL 223 Cb -0.07 -4.85 0.00 0.00 0.00 0.00 0.00 36.38 31.45 3m74 s VAL 223 CO 0.31 -1.71 0.00 -0.90 0.00 0.00 0.00 175.10 172.81 3m74 n ASP 224 N 8.46 1.36 -0.11 3.32 5.68 -1.26 -4.94 116.55 129.06 3m74 n ASP 224 Ca 0.08 -0.70 -0.09 0.00 -0.50 0.00 0.00 54.79 53.59 3m74 n ASP 224 Cb 0.48 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.45 3m74 n ASP 224 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 3m74 h THR 225 N 0.47 1.10 -0.60 2.12 2.02 -2.00 -2.01 112.91 114.02 3m74 h THR 225 Ca 0.00 -0.20 0.05 0.00 0.77 0.00 0.00 66.41 67.03 3m74 h THR 225 Cb 0.00 0.59 -0.05 0.00 -1.74 0.00 0.00 68.15 66.95 3m74 h THR 225 CO 0.00 0.10 0.32 0.25 0.37 0.00 0.00 175.52 176.56 3m74 h LEU 226 N 0.48 0.46 -0.56 2.58 5.85 -1.97 -0.56 115.31 121.60 3m74 h LEU 226 Ca 0.13 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3m74 h LEU 226 Cb -0.04 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 3m74 h LEU 226 CO -0.03 0.31 0.37 0.00 -0.34 0.00 0.00 178.44 178.74 3m74 h ALA 227 N 1.32 0.71 -0.64 1.25 0.00 -1.81 -1.25 119.26 118.85 3m74 h ALA 227 Ca 0.27 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 3m74 h ALA 227 Cb 0.17 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3m74 h ALA 227 CO -0.18 0.16 0.10 0.87 0.00 0.00 0.00 179.25 180.20 3m74 h LYS 228 N 0.76 1.05 -0.39 0.00 1.57 -1.00 -1.69 116.57 116.87 3m74 h LYS 228 Ca 0.20 -0.28 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3m74 h LYS 228 Cb -0.08 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 3m74 h LYS 228 CO -0.04 0.97 0.25 0.82 -0.57 0.00 0.00 179.45 180.88 3m74 h ILE 229 N 0.99 1.08 -0.58 1.86 2.04 -0.69 -1.47 117.51 120.74 3m74 h ILE 229 Ca 0.20 -0.17 -0.04 0.00 1.00 0.00 0.00 64.86 65.84 3m74 h ILE 229 Cb 0.43 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 3m74 h ILE 229 CO 0.01 0.09 0.19 -0.07 0.00 0.00 0.00 178.15 178.38 3m74 h LEU 230 N 0.51 0.83 -1.17 1.44 3.38 -1.04 -2.49 115.31 116.77 3m74 h LEU 230 Ca 0.15 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.92 3m74 h LEU 230 Cb -0.04 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 3m74 h LEU 230 CO -0.04 0.80 0.54 -0.50 0.09 0.00 0.00 178.44 179.33 3m74 h TRP 231 N 0.80 1.05 -0.19 1.13 4.06 -1.02 -0.30 115.95 121.48 3m74 h TRP 231 Ca 0.19 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 61.15 3m74 h TRP 231 Cb 0.26 -0.35 -0.01 0.00 -1.00 0.00 0.00 29.16 28.06 3m74 h TRP 231 CO 0.02 0.67 0.09 0.78 -3.56 0.00 0.00 178.44 176.43 3m74 h GLY 232 N 1.13 0.30 1.50 1.49 0.00 -0.84 0.55 103.07 107.20 3m74 h GLY 232 Ca 0.30 -0.16 -0.12 0.00 0.00 0.00 0.00 47.33 47.36 3m74 h GLY 232 CO -0.06 0.15 -0.34 -1.82 0.00 0.00 0.00 176.54 174.46 3m74 h TYR 233 N 0.17 0.65 -0.50 5.60 3.20 -1.28 -2.15 116.97 122.66 3m74 h TYR 233 Ca 0.07 -0.17 0.05 0.00 3.14 0.00 0.00 58.73 61.82 3m74 h TYR 233 Cb 0.14 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.22 3m74 h TYR 233 CO -0.02 0.83 0.22 0.78 -1.64 0.00 0.00 178.16 178.34 3m74 h GLY 234 N 1.04 0.69 1.52 1.82 0.00 -0.64 -1.41 103.07 106.09 3m74 h GLY 234 Ca 0.05 -0.14 -0.14 0.00 0.00 0.00 0.00 47.33 47.10 3m74 h GLY 234 CO 0.07 0.07 -0.45 0.74 0.00 0.00 0.00 176.54 176.97 3m74 h PHE 235 N 0.44 0.63 -0.22 5.60 0.04 -0.72 -1.22 116.94 121.48 3m74 h PHE 235 Ca 0.23 -0.19 0.04 0.00 2.80 0.00 0.00 57.97 60.84 3m74 h PHE 235 Cb 0.18 -0.13 -0.04 0.00 2.20 0.00 0.00 35.95 38.17 3m74 h PHE 235 CO -0.12 0.88 -0.01 1.25 -0.60 0.00 0.00 178.31 179.71 3m74 h LEU 236 N 0.42 -0.10 -0.94 1.54 5.85 -0.97 -0.83 115.31 120.27 3m74 h LEU 236 Ca 0.03 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 3m74 h LEU 236 Cb 0.95 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 3m74 h LEU 236 CO 0.08 -0.02 0.32 1.56 -0.34 0.00 0.00 178.44 180.04 3m74 h GLN 237 N 0.06 1.08 -0.23 1.25 1.08 -1.03 -1.32 115.11 116.01 3m74 h GLN 237 Ca 0.10 -0.17 0.04 0.00 -1.45 0.00 0.00 58.65 57.17 3m74 h GLN 237 Cb 0.14 -0.19 -0.04 0.00 -0.05 0.00 0.00 27.48 27.34 3m74 h GLN 237 CO -0.18 0.86 -0.03 1.25 -0.95 0.00 0.00 178.83 179.78 3m74 h LEU 238 N 1.06 -0.15 -0.41 1.46 5.85 -0.77 -0.41 115.31 121.94 3m74 h LEU 238 Ca 0.25 0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.03 3m74 h LEU 238 Cb 0.16 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 3m74 h LEU 238 CO -0.03 -0.05 0.26 -0.26 -0.34 0.00 0.00 178.44 178.03 3m74 h PHE 239 N 0.03 0.52 -0.67 1.25 0.04 -0.81 0.49 116.94 117.80 3m74 h PHE 239 Ca 0.11 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.92 3m74 h PHE 239 Cb 0.15 -0.17 -0.04 0.00 2.20 0.00 0.00 35.95 38.09 3m74 h PHE 239 CO -0.21 0.35 0.41 0.74 -0.60 0.00 0.00 178.31 179.00 3m74 h PHE 240 N 0.54 0.77 -0.06 -0.55 -1.00 -0.97 -1.87 116.94 113.80 3m74 h PHE 240 Ca 0.15 0.02 -0.13 0.00 2.81 0.00 0.00 57.97 60.82 3m74 h PHE 240 Cb -0.04 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 39.26 3m74 h PHE 240 CO -0.04 0.43 -0.55 -0.07 -1.61 0.00 0.00 178.31 176.47 3m74 h LEU 241 N 0.80 0.21 -0.46 1.54 3.38 -0.57 -1.21 115.31 118.99 3m74 h LEU 241 Ca 0.27 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 3m74 h LEU 241 Cb 0.03 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3m74 h LEU 241 CO -0.11 0.72 0.18 -0.07 0.09 0.00 0.00 178.44 179.25 3m74 h LEU 242 N 0.15 0.64 -0.97 1.67 3.38 -0.65 -1.15 115.31 118.38 3m74 h LEU 242 Ca -0.00 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 3m74 h LEU 242 Cb 1.02 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 3m74 h LEU 242 CO 0.08 0.64 0.08 -0.09 0.09 0.00 0.00 178.44 179.24 3m74 h ARG 243 N 0.61 0.82 0.00 1.13 1.12 -1.04 -2.40 114.38 114.62 3m74 h ARG 243 Ca 0.15 -0.19 0.00 0.00 -1.11 0.00 0.00 59.98 58.84 3m74 h ARG 243 Cb 0.20 -0.11 0.00 0.00 -0.01 0.00 0.00 29.97 30.04 3m74 h ARG 243 CO -0.01 0.78 0.00 1.28 -3.11 0.00 0.00 179.97 178.90 3m74 n LEU 244 N -4.25 0.00 -0.18 3.80 4.77 -0.48 -4.37 117.00 116.28 3m74 n LEU 244 Ca 0.03 0.31 -0.06 0.00 -0.03 0.00 0.00 56.01 56.26 3m74 n LEU 244 Cb 0.26 -0.31 0.03 0.00 -2.33 0.00 0.00 43.42 41.07 3m74 n LEU 244 CO 0.41 -0.00 1.09 0.15 -1.33 0.00 0.00 177.39 177.70 3m74 h PHE 245 N 0.00 0.66 -0.91 -1.77 3.57 -0.68 -0.00 116.94 117.81 3m74 h PHE 245 Ca 0.00 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.58 3m74 h PHE 245 Cb 0.30 -0.22 -0.06 0.00 2.79 0.00 0.00 35.95 38.77 3m74 h PHE 245 CO 0.00 0.40 0.59 -1.35 -2.23 0.00 0.00 178.31 175.73 3m74 h PRO 246 N 0.70 1.03 -0.35 6.41 0.11 -1.80 -0.42 132.00 137.68 3m74 h PRO 246 Ca 0.20 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.23 3m74 h PRO 246 Cb -0.05 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 30.81 3m74 h PRO 246 CO -0.06 0.68 0.14 2.35 -0.21 0.00 0.00 178.00 180.90 3m74 h TRP 247 N 1.06 0.53 -0.90 0.65 7.01 -1.65 -1.99 115.95 120.65 3m74 h TRP 247 Ca 0.39 -0.04 0.11 0.00 2.11 0.00 0.00 58.89 61.46 3m74 h TRP 247 Cb 0.16 -0.16 -0.08 0.00 -2.10 0.00 0.00 29.16 26.98 3m74 h TRP 247 CO -0.00 0.49 0.54 0.82 -2.79 0.00 0.00 178.44 177.49 3m74 h ILE 248 N 0.42 0.90 -0.59 2.65 2.04 0.31 -2.28 117.51 120.94 3m74 h ILE 248 Ca 0.12 -0.30 -0.22 0.00 1.00 0.00 0.00 64.86 65.46 3m74 h ILE 248 Cb 0.18 -0.04 -0.13 0.00 -0.74 0.00 0.00 36.82 36.09 3m74 h ILE 248 CO -0.01 0.16 0.20 1.33 0.00 0.00 0.00 178.15 179.82 3m74 n VAL 249 N -4.70 2.77 -0.27 1.67 0.24 -0.30 -4.52 118.33 113.21 3m74 n VAL 249 Ca 0.16 -2.03 0.07 0.00 -2.04 0.00 0.00 64.34 60.50 3m74 n VAL 249 Cb 0.32 -0.35 0.18 0.00 -1.47 0.00 0.00 33.84 32.53 3m74 n VAL 249 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3m74 h GLU 250 N 1.78 0.10 -0.47 7.34 4.81 -0.75 0.27 114.58 127.66 3m74 h GLU 250 Ca 0.27 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 3m74 h GLU 250 Cb 2.09 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 31.45 3m74 h GLU 250 CO 0.62 0.07 0.00 1.63 -0.73 0.00 0.00 179.01 180.59 3m74 n LYS 251 N -5.36 2.16 0.00 1.92 4.76 -1.26 -5.00 118.16 115.38 3m74 n LYS 251 Ca 0.15 -1.58 0.00 0.00 -2.87 0.00 0.00 58.31 54.01 3m74 n LYS 251 Cb 0.53 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 32.30 3m74 n LYS 251 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3m74 n GLY 252 N 1.08 3.17 3.76 0.72 0.00 0.08 -5.03 105.19 108.97 3m74 n GLY 252 Ca 0.15 -1.94 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 3m74 n GLY 252 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m74 s LEU 253 N 0.00 4.48 0.16 0.99 1.43 -1.26 -4.77 118.68 119.70 3m74 s LEU 253 Ca 0.00 2.42 -0.11 0.00 -1.03 0.00 0.00 54.13 55.41 3m74 s LEU 253 Cb 0.00 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.59 3m74 s LEU 253 CO 0.00 -0.36 0.32 0.54 0.23 0.00 0.00 176.35 177.08 3m74 s ASN 254 N -0.41 -0.02 0.63 2.29 2.20 -1.26 -5.04 114.94 113.33 3m74 s ASN 254 Ca 0.49 -0.75 0.36 0.00 -0.94 0.00 0.00 52.86 52.02 3m74 s ASN 254 Cb -0.35 0.45 2.00 0.00 -2.00 0.00 0.00 41.25 41.35 3m74 s ASN 254 CO 0.44 -0.90 2.21 -0.29 -2.94 0.00 0.00 177.10 175.62 3m74 h ILE 255 N 2.50 0.22 -0.02 0.54 6.09 -1.97 -1.40 117.51 123.47 3m74 h ILE 255 Ca -0.31 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.18 3m74 h ILE 255 Cb 1.23 0.90 -0.00 0.00 0.47 0.00 0.00 36.82 39.43 3m74 h ILE 255 CO 0.47 0.00 0.15 1.23 -3.07 0.00 0.00 178.15 176.93 3m74 h GLY 256 N 0.00 0.00 2.00 8.18 0.00 -1.96 -2.27 103.07 109.01 3m74 h GLY 256 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3m74 h GLY 256 CO -0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 3m74 n LEU 257 N -3.09 0.38 0.25 3.11 4.77 -0.53 -0.89 117.00 121.00 3m74 n LEU 257 Ca -0.02 0.64 0.14 0.00 -0.03 0.00 0.00 56.01 56.74 3m74 n LEU 257 Cb 0.21 -0.65 0.74 0.00 -2.33 0.00 0.00 43.42 41.40 3m74 n LEU 257 CO 0.18 -0.65 0.98 -0.50 -1.33 0.00 0.00 177.39 176.07 3m74 h TRP 258 N 0.00 0.00 -1.04 -1.77 4.06 -1.66 -1.47 115.95 114.07 3m74 h TRP 258 Ca 0.00 0.00 0.27 0.00 2.06 0.00 0.00 58.89 61.22 3m74 h TRP 258 Cb 0.13 0.00 -0.10 0.00 -1.00 0.00 0.00 29.16 28.19 3m74 h TRP 258 CO 0.00 0.00 0.67 0.00 -3.56 0.00 0.00 178.44 175.55 3m74 h ALA 259 N 1.66 2.21 0.00 1.49 0.00 -1.28 -0.09 119.26 123.25 3m74 h ALA 259 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3m74 h ALA 259 Cb 0.29 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3m74 h ALA 259 CO 0.00 -0.62 0.00 0.74 0.00 0.00 0.00 179.25 179.37 3m74 h PHE 260 N 0.40 0.00 0.00 0.00 0.04 -1.45 -3.30 116.94 112.64 3m74 h PHE 260 Ca 0.60 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 61.30 3m74 h PHE 260 Cb 1.50 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.64 3m74 h PHE 260 CO -0.00 0.00 -0.32 0.66 -0.60 0.00 0.00 178.31 178.05 3m74 h SER 261 N 0.00 0.00 0.17 2.17 4.64 -1.18 -1.17 113.55 118.18 3m74 h SER 261 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3m74 h SER 261 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3m74 h SER 261 CO 0.00 0.32 -0.08 0.25 -0.87 0.00 0.00 176.83 176.45 3m74 h LEU 262 N 0.00 -0.19 -0.45 5.97 5.85 -1.73 0.60 115.31 125.37 3m74 h LEU 262 Ca -0.00 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.57 3m74 h LEU 262 Cb 0.57 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 3m74 h LEU 262 CO 0.04 -0.04 0.01 1.23 -0.34 0.00 0.00 178.44 179.34 3m74 h GLY 263 N -0.32 0.84 1.00 3.75 0.00 -1.75 -2.28 103.07 104.31 3m74 h GLY 263 Ca -0.02 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 46.70 3m74 h GLY 263 CO 0.04 0.56 0.23 1.41 0.00 0.00 0.00 176.54 178.78 3m74 h LEU 264 N 0.62 0.40 -1.01 3.11 3.38 -1.13 0.72 115.31 121.40 3m74 h LEU 264 Ca 0.13 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 3m74 h LEU 264 Cb 0.48 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3m74 h LEU 264 CO 0.02 0.29 -0.14 0.00 0.09 0.00 0.00 178.44 178.69 3m74 h ALA 265 N 1.13 1.17 -0.00 1.53 0.00 -0.84 -1.58 119.26 120.67 3m74 h ALA 265 Ca 0.13 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 3m74 h ALA 265 Cb -0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3m74 h ALA 265 CO -0.03 0.53 -0.61 0.77 0.00 0.00 0.00 179.25 179.91 3m74 h SER 266 N 0.50 0.01 -0.40 0.00 0.02 -1.10 -0.55 113.55 112.03 3m74 h SER 266 Ca 0.09 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3m74 h SER 266 Cb 0.54 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 3m74 h SER 266 CO 0.03 0.62 0.26 -0.03 -1.14 0.00 0.00 176.83 176.57 3m74 h MET 267 N 0.00 0.53 -0.39 3.45 -1.53 -0.39 -0.75 114.93 115.86 3m74 h MET 267 Ca -0.01 -0.03 -0.02 0.00 -3.44 0.00 0.00 59.70 56.20 3m74 h MET 267 Cb 1.08 -0.12 -0.02 0.00 -0.55 0.00 0.00 31.60 32.00 3m74 h MET 267 CO 0.08 0.35 0.17 0.00 0.14 0.00 0.00 176.91 177.65 3m74 h ALA 268 N 1.14 0.50 -0.10 0.39 0.00 -0.94 -0.02 119.26 120.23 3m74 h ALA 268 Ca 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3m74 h ALA 268 Cb -0.05 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3m74 h ALA 268 CO -0.03 0.09 0.03 -0.97 0.00 0.00 0.00 179.25 178.37 3m74 h ASN 269 N 0.49 0.14 -0.37 0.00 -0.73 -1.01 -2.39 115.58 111.71 3m74 h ASN 269 Ca 0.13 -0.21 -0.06 0.00 1.87 0.00 0.00 56.30 58.03 3m74 h ASN 269 Cb 0.16 -0.04 -0.02 0.00 0.27 0.00 0.00 38.32 38.69 3m74 h ASN 269 CO -0.01 0.32 0.05 0.77 -0.37 0.00 0.00 177.43 178.19 3m74 h SER 270 N -0.04 0.67 -0.58 1.15 4.64 -1.09 -1.92 113.55 116.39 3m74 h SER 270 Ca 0.03 -0.13 0.01 0.00 -0.47 0.00 0.00 61.79 61.23 3m74 h SER 270 Cb 0.23 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.12 3m74 h SER 270 CO -0.00 0.71 0.38 0.00 -0.87 0.00 0.00 176.83 177.05 3m74 h ALA 271 N 1.38 1.60 -0.49 5.18 0.00 -0.68 -0.66 119.26 125.58 3m74 h ALA 271 Ca 0.14 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3m74 h ALA 271 Cb 0.35 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3m74 h ALA 271 CO 0.01 0.37 0.16 1.79 0.00 0.00 0.00 179.25 181.58 3m74 h THR 272 N 0.78 1.20 -0.02 0.00 1.35 -0.84 -0.59 112.91 114.78 3m74 h THR 272 Ca 0.21 -0.65 -0.25 0.00 -0.55 0.00 0.00 66.41 65.18 3m74 h THR 272 Cb -0.08 0.64 0.01 0.00 -1.73 0.00 0.00 68.15 67.00 3m74 h THR 272 CO -0.05 0.25 -0.98 0.00 -0.25 0.00 0.00 175.52 174.49 3m74 h ALA 273 N 1.47 0.24 -0.65 6.62 0.00 -1.11 -1.20 119.26 124.63 3m74 h ALA 273 Ca 0.17 -0.69 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 3m74 h ALA 273 Cb 0.19 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3m74 h ALA 273 CO -0.01 0.73 0.37 0.74 0.00 0.00 0.00 179.25 181.08 3m74 h PHE 274 N 0.35 0.88 -0.18 0.00 -1.00 -1.05 -0.88 116.94 115.05 3m74 h PHE 274 Ca -0.10 -0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.66 3m74 h PHE 274 Cb 1.62 -0.28 -0.01 0.00 3.61 0.00 0.00 35.95 40.89 3m74 h PHE 274 CO 0.09 0.62 0.11 -0.92 -1.61 0.00 0.00 178.31 176.59 3m74 h TYR 275 N 0.88 0.25 0.00 -0.55 3.20 -1.05 -1.37 116.97 118.34 3m74 h TYR 275 Ca 0.23 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.06 3m74 h TYR 275 Cb 0.02 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.20 3m74 h TYR 275 CO -0.01 0.22 -0.16 1.25 -1.64 0.00 0.00 178.16 177.82 3m74 h HIS 276 N 0.21 0.00 -0.11 -3.82 2.76 -1.05 -1.39 115.15 111.74 3m74 h HIS 276 Ca 0.07 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 3m74 h HIS 276 Cb 0.05 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.01 3m74 h HIS 276 CO -0.04 0.16 0.00 0.41 -1.30 0.00 0.00 177.93 177.16 3m74 n GLY 277 N -0.77 -0.00 3.79 5.26 0.00 -0.35 -4.95 105.19 108.17 3m74 n GLY 277 Ca -0.02 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.40 3m74 n GLY 277 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3m74 n ASN 278 N 0.08 -1.56 -4.11 1.61 5.15 -0.53 -4.99 115.26 110.92 3m74 n ASN 278 Ca 0.16 -0.85 -0.32 0.00 -0.60 0.00 0.00 54.58 52.97 3m74 n ASN 278 Cb 0.28 -3.81 -0.16 0.00 -0.53 0.00 0.00 39.78 35.55 3m74 n ASN 278 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3m74 s VAL 279 N -3.67 1.89 -1.30 3.44 1.01 -0.59 -4.81 120.40 116.37 3m74 s VAL 279 Ca 0.11 -0.85 -0.09 0.00 0.00 0.00 0.00 61.98 61.15 3m74 s VAL 279 Cb -0.06 -1.71 -0.00 0.00 0.00 0.00 0.00 36.38 34.62 3m74 s VAL 279 CO 0.83 0.51 0.56 0.18 0.00 0.00 0.00 175.10 177.19 3m74 n LEU 280 N 4.42 -2.34 -0.11 3.92 4.77 -1.26 -4.28 117.00 122.13 3m74 n LEU 280 Ca -0.20 -1.02 0.00 0.00 -0.03 0.00 0.00 56.01 54.76 3m74 n LEU 280 Cb 0.51 -2.26 0.28 0.00 -2.33 0.00 0.00 43.42 39.62 3m74 n LEU 280 CO 0.25 0.47 1.10 1.56 -1.33 0.00 0.00 177.39 179.44 3m74 h GLN 281 N -1.91 0.77 -0.30 3.23 4.20 -1.87 -0.21 115.11 119.02 3m74 h GLN 281 Ca -0.65 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 57.93 3m74 h GLN 281 Cb 1.37 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.99 3m74 h GLN 281 CO 0.57 0.60 0.02 0.78 -0.67 0.00 0.00 178.83 180.13 3m74 h GLY 282 N 0.87 0.56 0.85 3.46 0.00 -2.00 -0.65 103.07 106.17 3m74 h GLY 282 Ca 0.19 -0.40 0.04 0.00 0.00 0.00 0.00 47.33 47.17 3m74 h GLY 282 CO -0.03 0.37 0.64 -2.08 0.00 0.00 0.00 176.54 175.44 3m74 h VAL 283 N 0.33 1.16 -0.52 4.60 2.07 -1.82 -2.21 116.25 119.85 3m74 h VAL 283 Ca 0.09 -0.42 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 3m74 h VAL 283 Cb 0.40 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 29.96 3m74 h VAL 283 CO 0.01 0.22 0.04 0.77 0.02 0.00 0.00 177.57 178.64 3m74 h SER 284 N 1.23 0.86 -0.39 0.57 4.64 -0.65 0.83 113.55 120.64 3m74 h SER 284 Ca 0.40 -0.29 -0.01 0.00 -0.47 0.00 0.00 61.79 61.42 3m74 h SER 284 Cb 0.03 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 61.87 3m74 h SER 284 CO -0.13 0.94 0.21 0.40 -0.87 0.00 0.00 176.83 177.37 3m74 h ILE 285 N 0.76 1.15 -0.24 0.95 2.04 -0.90 -0.48 117.51 120.80 3m74 h ILE 285 Ca 0.15 -0.40 0.04 0.00 1.00 0.00 0.00 64.86 65.65 3m74 h ILE 285 Cb 0.47 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 3m74 h ILE 285 CO 0.02 0.16 0.02 0.15 0.00 0.00 0.00 178.15 178.50 3m74 h PHE 286 N 0.50 0.03 -0.68 1.37 3.57 -1.05 -0.71 116.94 119.97 3m74 h PHE 286 Ca 0.14 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 3m74 h PHE 286 Cb 0.07 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 3m74 h PHE 286 CO -0.02 -0.01 0.39 0.00 -2.23 0.00 0.00 178.31 176.43 3m74 h ALA 287 N 1.19 0.87 -0.29 2.41 0.00 -0.61 0.20 119.26 123.04 3m74 h ALA 287 Ca 0.11 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3m74 h ALA 287 Cb 0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3m74 h ALA 287 CO -0.17 0.38 -0.14 0.35 0.00 0.00 0.00 179.25 179.67 3m74 h PHE 288 N 0.93 0.69 -0.18 0.00 3.57 -0.83 -1.54 116.94 119.58 3m74 h PHE 288 Ca 0.24 -0.17 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 3m74 h PHE 288 Cb 0.02 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 3m74 h PHE 288 CO -0.01 0.84 -0.05 0.28 -2.23 0.00 0.00 178.31 177.14 3m74 h VAL 289 N 0.35 1.29 -0.34 1.41 2.07 -0.90 -2.46 116.25 117.67 3m74 h VAL 289 Ca 0.06 -1.03 0.06 0.00 0.82 0.00 0.00 66.70 66.61 3m74 h VAL 289 Cb 0.66 1.60 -0.05 0.00 -1.52 0.00 0.00 31.29 31.97 3m74 h VAL 289 CO 0.04 0.31 0.01 0.15 0.02 0.00 0.00 177.57 178.10 3m74 h PHE 290 N 0.06 -0.00 -0.63 1.57 3.57 -0.58 -0.87 116.94 120.06 3m74 h PHE 290 Ca 0.05 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3m74 h PHE 290 Cb 0.49 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 3m74 h PHE 290 CO 0.05 -0.05 0.40 0.77 -2.23 0.00 0.00 178.31 177.25 3m74 h SER 291 N 0.11 0.74 -0.54 0.41 0.02 -1.28 -1.41 113.55 111.60 3m74 h SER 291 Ca 0.16 -0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 60.99 3m74 h SER 291 Cb 0.22 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 3m74 h SER 291 CO -0.26 0.57 0.04 0.78 -1.14 0.00 0.00 176.83 176.81 3m74 h ASN 292 N 0.85 0.91 -0.48 3.07 2.35 -1.06 -1.18 115.58 120.04 3m74 h ASN 292 Ca 0.23 -0.29 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 3m74 h ASN 292 Cb -0.06 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.05 3m74 h ASN 292 CO -0.05 0.97 0.26 0.58 -1.65 0.00 0.00 177.43 177.55 3m74 h VAL 293 N 0.82 1.17 -0.37 2.81 2.07 -0.84 0.11 116.25 122.01 3m74 h VAL 293 Ca 0.16 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 3m74 h VAL 293 Cb 0.48 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3m74 h VAL 293 CO 0.02 0.18 0.01 0.24 0.02 0.00 0.00 177.57 178.04 3m74 h MET 294 N 0.63 0.64 -0.29 1.57 2.86 -1.10 0.48 114.93 119.71 3m74 h MET 294 Ca 0.17 -0.20 -0.09 0.00 -2.06 0.00 0.00 59.70 57.53 3m74 h MET 294 Cb 0.05 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 3m74 h MET 294 CO -0.03 0.74 -0.19 0.82 1.06 0.00 0.00 176.91 179.31 3m74 h ILE 295 N 0.46 1.25 -0.76 -1.22 2.04 -1.12 -0.77 117.51 117.38 3m74 h ILE 295 Ca 0.11 -1.16 0.03 0.00 1.00 0.00 0.00 64.86 64.83 3m74 h ILE 295 Cb 0.44 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.70 3m74 h ILE 295 CO 0.02 0.38 0.48 1.23 0.00 0.00 0.00 178.15 180.25 3m74 h GLY 296 N 0.98 1.10 1.04 5.37 0.00 -0.27 0.12 103.07 111.41 3m74 h GLY 296 Ca 0.08 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 46.99 3m74 h GLY 296 CO 0.04 0.30 0.17 1.41 0.00 0.00 0.00 176.54 178.46 3m74 h LEU 297 N 0.93 1.00 -0.58 3.11 3.38 -0.45 -0.74 115.31 121.95 3m74 h LEU 297 Ca 0.31 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 58.10 3m74 h LEU 297 Cb 0.03 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 3m74 h LEU 297 CO -0.12 0.97 0.31 -0.07 0.09 0.00 0.00 178.44 179.62 3m74 h LEU 298 N 0.99 0.46 -0.30 1.67 3.38 -0.54 -0.08 115.31 120.89 3m74 h LEU 298 Ca 0.21 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 3m74 h LEU 298 Cb 0.35 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3m74 h LEU 298 CO 0.00 0.31 0.16 0.58 0.09 0.00 0.00 178.44 179.58 3m74 h VAL 299 N 0.59 1.13 -0.34 1.22 2.07 -0.56 -0.88 116.25 119.47 3m74 h VAL 299 Ca 0.26 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 3m74 h VAL 299 Cb 0.15 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 3m74 h VAL 299 CO -0.16 0.13 0.22 -0.07 0.02 0.00 0.00 177.57 177.70 3m74 h LEU 300 N 0.37 0.41 -0.79 2.57 3.38 -0.77 -0.12 115.31 120.35 3m74 h LEU 300 Ca 0.11 -0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.16 3m74 h LEU 300 Cb 0.06 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 40.62 3m74 h LEU 300 CO -0.02 0.33 0.39 -0.03 0.09 0.00 0.00 178.44 179.20 3m74 h MET 301 N 0.45 0.58 -0.10 1.13 4.05 -0.87 -1.16 114.93 119.02 3m74 h MET 301 Ca 0.12 -0.04 -0.05 0.00 -0.28 0.00 0.00 59.70 59.46 3m74 h MET 301 Cb -0.01 -0.13 -0.00 0.00 -0.80 0.00 0.00 31.60 30.65 3m74 h MET 301 CO -0.02 0.39 -0.13 1.15 0.23 0.00 0.00 176.91 178.52 3m74 h THR 302 N 0.60 1.38 -0.70 -0.77 2.02 -0.11 -1.01 112.91 114.33 3m74 h THR 302 Ca 0.42 -1.36 0.10 0.00 0.77 0.00 0.00 66.41 66.33 3m74 h THR 302 Cb 0.54 2.05 -0.07 0.00 -1.74 0.00 0.00 68.15 68.93 3m74 h THR 302 CO -0.33 0.39 0.34 0.40 0.37 0.00 0.00 175.52 176.68 3m74 h ILE 303 N -0.17 0.83 -0.15 3.11 2.04 -0.93 -0.15 117.51 122.09 3m74 h ILE 303 Ca 0.01 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.70 3m74 h ILE 303 Cb 0.68 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 3m74 h ILE 303 CO 0.03 0.10 -0.03 0.22 0.00 0.00 0.00 178.15 178.47 3m74 h TYR 304 N 0.57 -0.07 -0.82 1.37 3.20 -0.86 0.67 116.97 121.03 3m74 h TYR 304 Ca 0.35 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.25 3m74 h TYR 304 Cb 0.38 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.66 3m74 h TYR 304 CO -0.12 -0.06 0.53 0.87 -1.64 0.00 0.00 178.16 177.75 3m74 h LYS 305 N 0.01 1.04 -0.40 1.82 1.79 -0.62 -1.35 116.57 118.85 3m74 h LYS 305 Ca 0.07 -0.06 -0.05 0.00 -2.18 0.00 0.00 60.65 58.43 3m74 h LYS 305 Cb 0.11 -0.23 -0.02 0.00 -1.58 0.00 0.00 32.23 30.51 3m74 h LYS 305 CO -0.15 0.69 0.05 -0.07 -1.08 0.00 0.00 179.45 178.88 3m74 h LEU 306 N 1.07 0.57 -1.54 2.94 3.38 -0.64 0.24 115.31 121.33 3m74 h LEU 306 Ca 0.31 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 3m74 h LEU 306 Cb -0.06 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3m74 h LEU 306 CO -0.09 0.60 -0.24 0.74 0.09 0.00 0.00 178.44 179.55 3m74 h THR 307 N 0.59 1.10 -0.03 0.22 2.02 0.20 -2.80 112.91 114.22 3m74 h THR 307 Ca 0.13 -0.83 0.00 0.00 0.77 0.00 0.00 66.41 66.48 3m74 h THR 307 Cb 0.30 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 3m74 h THR 307 CO 0.00 0.23 -0.01 0.29 0.37 0.00 0.00 175.52 176.41 3m74 n LYS 308 N -4.16 2.27 -2.83 6.66 4.76 -0.77 -4.95 118.16 119.14 3m74 n LYS 308 Ca -0.02 -1.85 -0.13 0.00 -2.87 0.00 0.00 58.31 53.44 3m74 n LYS 308 Cb 0.30 -1.46 0.03 0.00 -1.84 0.00 0.00 35.03 32.06 3m74 n LYS 308 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3m74 n GLY 309 N 1.34 0.03 0.35 0.72 0.00 -0.79 -4.93 105.19 101.92 3m74 n GLY 309 Ca 0.14 -0.23 0.09 0.00 0.00 0.00 0.00 46.02 46.03 3m74 n GLY 309 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3m74 n GLN 310 N -2.76 1.74 -0.00 1.61 6.02 0.01 -4.79 117.38 119.20 3m74 n GLN 310 Ca -0.04 -2.72 -0.00 0.00 -0.01 0.00 0.00 57.00 54.23 3m74 n GLN 310 Cb 0.56 -1.61 -0.00 0.00 1.02 0.00 0.00 30.24 30.21 3m74 n GLN 310 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3m74 n PHE 311 N -1.17 0.05 -1.79 1.08 -0.00 -1.23 -4.87 117.46 109.53 3m74 n PHE 311 Ca 0.18 0.02 -0.33 0.00 -0.00 0.00 0.00 57.45 57.32 3m74 n PHE 311 Cb 0.72 -0.27 0.04 0.00 -0.00 0.00 0.00 39.48 39.97 3m74 n PHE 311 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.76 176.70 3m74 s PHE 312 N -1.06 2.67 -2.00 -5.13 0.08 -1.26 -5.05 117.98 106.22 3m74 s PHE 312 Ca -0.01 1.54 0.11 0.00 0.12 0.00 0.00 56.93 58.69 3m74 s PHE 312 Cb 0.00 -3.15 0.63 0.00 -0.57 0.00 0.00 43.02 39.94 3m74 s PHE 312 CO 0.01 -1.61 1.07 1.28 -0.10 0.00 0.00 175.22 175.87