#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m71 s PHE 7 N 0.00 -0.55 -0.19 6.00 -0.12 -1.26 -5.13 117.98 116.72 3m71 s PHE 7 Ca 0.00 0.65 -0.24 0.00 -0.05 0.00 0.00 56.93 57.28 3m71 s PHE 7 Cb 0.00 0.45 -0.01 0.00 -0.63 0.00 0.00 43.02 42.83 3m71 s PHE 7 CO 0.00 -0.71 0.80 -1.25 -0.05 0.00 0.00 175.22 174.01 3m71 s PRO 8 N -2.53 4.26 -0.01 1.99 0.04 -1.26 -4.91 135.00 132.58 3m71 s PRO 8 Ca -0.05 0.94 -0.30 0.00 0.04 0.00 0.00 61.00 61.64 3m71 s PRO 8 Cb -0.01 -3.59 -0.07 0.00 0.04 0.00 0.00 34.50 30.87 3m71 s PRO 8 CO -0.02 -0.36 1.73 -1.17 0.04 0.00 0.00 177.00 177.21 3m71 s LEU 9 N 2.29 4.36 0.08 -3.56 2.96 -1.26 -4.87 118.68 118.68 3m71 s LEU 9 Ca 0.36 2.39 -0.31 0.00 -0.22 0.00 0.00 54.13 56.35 3m71 s LEU 9 Cb -0.16 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 42.92 3m71 s LEU 9 CO 0.11 -0.95 1.40 -2.84 -1.32 0.00 0.00 176.35 172.75 3m71 s PRO 10 N 3.82 4.31 0.39 0.98 0.02 -1.26 -4.89 135.00 138.37 3m71 s PRO 10 Ca 0.77 2.05 0.06 0.00 0.02 0.00 0.00 61.00 63.89 3m71 s PRO 10 Cb -0.37 -3.36 0.80 0.00 0.02 0.00 0.00 34.50 31.59 3m71 s PRO 10 CO 0.33 -0.48 2.04 1.15 -0.33 0.00 0.00 177.00 179.70 3m71 h THR 11 N 4.47 1.11 0.00 0.99 2.02 -1.95 -0.96 112.91 118.59 3m71 h THR 11 Ca -0.41 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.55 3m71 h THR 11 Cb 1.20 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 3m71 h THR 11 CO 0.88 0.12 0.01 1.23 0.37 0.00 0.00 175.52 178.13 3m71 h GLY 12 N 0.65 0.00 2.00 2.16 0.00 -1.90 -2.16 103.07 103.81 3m71 h GLY 12 Ca 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.52 3m71 h GLY 12 CO -0.04 0.00 -0.01 -0.97 0.00 0.00 0.00 176.54 175.52 3m71 h TYR 13 N 0.00 0.00 0.00 5.60 -1.99 -1.56 -0.31 116.97 118.71 3m71 h TYR 13 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3m71 h TYR 13 Cb 0.03 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.76 3m71 h TYR 13 CO 0.00 0.01 0.07 0.74 -0.00 0.00 0.00 178.16 178.97 3m71 h PHE 14 N 0.00 0.00 0.00 4.88 0.04 -1.60 -1.31 116.94 118.95 3m71 h PHE 14 Ca -0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 3m71 h PHE 14 Cb 0.14 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.29 3m71 h PHE 14 CO 0.00 0.00 -0.02 0.78 -0.60 0.00 0.00 178.31 178.47 3m71 h GLY 15 N 0.00 0.00 0.58 -1.45 0.00 -1.29 -2.20 103.07 98.70 3m71 h GLY 15 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3m71 h GLY 15 CO 0.00 0.00 -0.20 -2.22 0.00 0.00 0.00 176.54 174.12 3m71 h ILE 16 N 0.00 0.38 -0.07 2.60 2.04 -1.45 -1.46 117.51 119.55 3m71 h ILE 16 Ca -0.00 -0.59 -0.03 0.00 1.00 0.00 0.00 64.86 65.24 3m71 h ILE 16 Cb 0.06 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 3m71 h ILE 16 CO 0.00 0.07 -0.08 1.55 0.00 0.00 0.00 178.15 179.69 3m71 h PRO 17 N -0.99 0.10 0.31 2.37 0.13 -1.73 -2.26 132.00 129.93 3m71 h PRO 17 Ca -0.06 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 3m71 h PRO 17 Cb 0.55 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.64 3m71 h PRO 17 CO 0.09 0.19 -0.32 1.25 -0.23 0.00 0.00 178.00 178.99 3m71 h LEU 18 N 0.10 -0.85 -0.50 1.56 6.46 -1.35 0.22 115.31 120.95 3m71 h LEU 18 Ca 0.02 0.08 -0.00 0.00 -0.12 0.00 0.00 57.88 57.86 3m71 h LEU 18 Cb 0.21 0.29 -0.02 0.00 -0.73 0.00 0.00 40.66 40.41 3m71 h LEU 18 CO 0.01 -0.45 0.31 1.23 -0.62 0.00 0.00 178.44 178.93 3m71 h GLY 19 N -0.65 0.72 1.08 3.75 0.00 -0.99 -0.74 103.07 106.24 3m71 h GLY 19 Ca -0.01 -0.29 -0.07 0.00 0.00 0.00 0.00 47.33 46.96 3m71 h GLY 19 CO -0.07 0.28 0.18 1.41 0.00 0.00 0.00 176.54 178.35 3m71 h LEU 20 N 0.67 1.08 -0.11 3.11 3.38 -1.36 -1.48 115.31 120.60 3m71 h LEU 20 Ca 0.18 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3m71 h LEU 20 Cb -0.03 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.43 3m71 h LEU 20 CO -0.04 1.03 0.01 0.00 0.09 0.00 0.00 178.44 179.53 3m71 h ALA 21 N 1.10 0.15 -0.92 1.53 0.00 -0.60 -0.08 119.26 120.44 3m71 h ALA 21 Ca 0.23 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3m71 h ALA 21 Cb 0.36 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 3m71 h ALA 21 CO 0.00 -0.19 0.61 0.00 0.00 0.00 0.00 179.25 179.67 3m71 h ALA 22 N 0.78 1.41 -0.39 0.00 0.00 -1.09 -2.08 119.26 117.89 3m71 h ALA 22 Ca 0.03 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 3m71 h ALA 22 Cb 0.31 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3m71 h ALA 22 CO 0.00 0.51 -0.27 1.25 0.00 0.00 0.00 179.25 180.74 3m71 h LEU 23 N 1.16 0.84 -0.67 0.00 5.85 -1.02 -2.06 115.31 119.42 3m71 h LEU 23 Ca 0.36 -0.33 0.11 0.00 0.84 0.00 0.00 57.88 58.86 3m71 h LEU 23 Cb 0.00 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 40.72 3m71 h LEU 23 CO -0.11 1.06 0.26 -1.28 -0.34 0.00 0.00 178.44 178.04 3m71 h SER 24 N 0.70 0.27 -0.03 1.25 0.87 -0.55 -2.04 113.55 114.02 3m71 h SER 24 Ca 0.09 0.09 -0.11 0.00 -1.23 0.00 0.00 61.79 60.62 3m71 h SER 24 Cb 0.81 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.81 3m71 h SER 24 CO 0.07 0.14 -0.31 -0.07 -0.53 0.00 0.00 176.83 176.13 3m71 h LEU 25 N 0.45 0.50 -0.28 2.23 3.38 -1.06 -0.84 115.31 119.69 3m71 h LEU 25 Ca 0.34 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3m71 h LEU 25 Cb 0.45 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3m71 h LEU 25 CO -0.33 0.78 0.18 0.00 0.09 0.00 0.00 178.44 179.16 3m71 h ALA 26 N 1.25 0.35 -0.60 1.53 0.00 -0.81 -2.56 119.26 118.42 3m71 h ALA 26 Ca 0.05 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3m71 h ALA 26 Cb 0.75 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3m71 h ALA 26 CO 0.06 -0.17 0.18 -1.49 0.00 0.00 0.00 179.25 177.83 3m71 h TRP 27 N 0.36 0.93 -1.00 0.00 4.06 -1.11 -2.66 115.95 116.54 3m71 h TRP 27 Ca 0.10 -0.08 0.15 0.00 2.06 0.00 0.00 58.89 61.12 3m71 h TRP 27 Cb -0.02 -0.28 -0.09 0.00 -1.00 0.00 0.00 29.16 27.77 3m71 h TRP 27 CO -0.05 0.76 0.62 0.35 -3.56 0.00 0.00 178.44 176.56 3m71 h PHE 28 N 0.88 1.12 0.00 0.49 3.57 -0.81 -0.48 116.94 121.71 3m71 h PHE 28 Ca 0.20 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.73 3m71 h PHE 28 Cb 0.27 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.66 3m71 h PHE 28 CO 0.02 0.37 0.00 0.72 -2.23 0.00 0.00 178.31 177.19 3m71 n HIS 29 N -4.67 0.00 1.02 0.41 8.25 -1.00 -2.28 115.22 116.95 3m71 n HIS 29 Ca 0.21 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.78 3m71 n HIS 29 Cb 0.43 -0.07 0.04 0.00 1.12 0.00 0.00 29.99 31.52 3m71 n HIS 29 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3m71 n LEU 30 N -1.07 2.21 -0.23 2.41 4.77 -0.19 -4.72 117.00 120.18 3m71 n LEU 30 Ca 0.16 -0.79 0.04 0.00 -0.03 0.00 0.00 56.01 55.38 3m71 n LEU 30 Cb 0.10 -0.01 0.15 0.00 -2.33 0.00 0.00 43.42 41.34 3m71 n LEU 30 CO 0.14 0.40 0.95 -0.08 -1.33 0.00 0.00 177.39 177.46 3m71 h GLU 31 N 2.92 0.30 0.00 3.23 4.81 -1.49 0.19 114.58 124.55 3m71 h GLU 31 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3m71 h GLU 31 Cb 0.80 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.11 3m71 h GLU 31 CO 0.00 0.20 0.00 0.09 -0.73 0.00 0.00 179.01 178.57 3m71 n ASN 32 N -5.11 0.32 -0.03 1.04 4.13 -1.26 -2.07 115.26 112.27 3m71 n ASN 32 Ca 0.12 0.55 -0.19 0.00 1.68 0.00 0.00 54.58 56.74 3m71 n ASN 32 Cb 0.40 -0.63 -0.14 0.00 -1.54 0.00 0.00 39.78 37.87 3m71 n ASN 32 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3m71 n LEU 33 N -1.82 2.40 -3.44 3.41 4.77 -0.16 -4.82 117.00 117.35 3m71 n LEU 33 Ca 0.05 0.15 -0.28 0.00 -0.03 0.00 0.00 56.01 55.89 3m71 n LEU 33 Cb 0.31 -0.86 -0.11 0.00 -2.33 0.00 0.00 43.42 40.43 3m71 n LEU 33 CO 0.24 0.81 -0.32 0.12 -1.33 0.00 0.00 177.39 176.91 3m71 s PHE 34 N -2.55 0.78 0.54 -1.77 5.36 -0.13 -5.03 117.98 115.19 3m71 s PHE 34 Ca -0.23 -1.78 0.26 0.00 -0.96 0.00 0.00 56.93 54.23 3m71 s PHE 34 Cb 0.07 -0.90 1.44 0.00 -0.34 0.00 0.00 43.02 43.29 3m71 s PHE 34 CO 0.74 -0.83 1.99 -1.35 -1.46 0.00 0.00 175.22 174.31 3m71 h PRO 35 N 6.69 0.00 0.00 10.12 0.11 -1.65 0.17 132.00 147.44 3m71 h PRO 35 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3m71 h PRO 35 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3m71 h PRO 35 CO 0.29 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.08 3m71 h ALA 36 N 1.70 1.00 -0.28 -0.75 0.00 -1.93 -1.93 119.26 117.07 3m71 h ALA 36 Ca 0.23 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.22 3m71 h ALA 36 Cb 0.99 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3m71 h ALA 36 CO -0.00 0.00 0.20 0.00 0.00 0.00 0.00 179.25 179.45 3m71 h ALA 37 N 2.00 2.26 -0.58 0.00 0.00 -0.97 -2.67 119.26 119.31 3m71 h ALA 37 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3m71 h ALA 37 Cb 0.16 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3m71 h ALA 37 CO 0.00 -0.35 0.21 -0.09 0.00 0.00 0.00 179.25 179.03 3m71 h ARG 38 N 0.00 0.88 -0.55 0.00 9.65 -1.53 -0.38 114.38 122.45 3m71 h ARG 38 Ca 0.13 -0.17 -0.02 0.00 -1.10 0.00 0.00 59.98 58.82 3m71 h ARG 38 Cb 0.54 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.95 3m71 h ARG 38 CO -0.00 0.77 0.26 1.98 2.80 0.00 0.00 179.97 185.78 3m71 h MET 39 N 0.81 0.80 -0.38 0.20 4.05 -1.67 0.81 114.93 119.54 3m71 h MET 39 Ca 0.19 -0.12 0.04 0.00 -0.28 0.00 0.00 59.70 59.53 3m71 h MET 39 Cb 0.23 -0.14 -0.04 0.00 -0.80 0.00 0.00 31.60 30.85 3m71 h MET 39 CO -0.01 0.65 0.16 0.28 0.23 0.00 0.00 176.91 178.22 3m71 h VAL 40 N 0.75 0.93 -0.31 -5.77 2.07 -1.45 -1.01 116.25 111.46 3m71 h VAL 40 Ca 0.19 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.62 3m71 h VAL 40 Cb 0.12 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 3m71 h VAL 40 CO -0.02 0.06 0.15 -1.28 0.02 0.00 0.00 177.57 176.50 3m71 h SER 41 N 0.33 0.23 -0.60 0.57 0.87 -0.74 -1.42 113.55 112.80 3m71 h SER 41 Ca 0.17 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 3m71 h SER 41 Cb 0.12 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.02 3m71 h SER 41 CO -0.15 0.17 0.34 0.44 -0.53 0.00 0.00 176.83 177.11 3m71 h ASP 42 N 0.32 0.74 -0.04 6.23 3.32 -0.54 0.59 116.42 127.05 3m71 h ASP 42 Ca 0.13 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 3m71 h ASP 42 Cb 0.04 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 3m71 h ASP 42 CO -0.09 0.61 0.01 0.58 -1.72 0.00 0.00 179.24 178.64 3m71 h VAL 43 N 0.82 1.20 -0.80 -1.35 2.07 -0.97 0.46 116.25 117.66 3m71 h VAL 43 Ca 0.21 -0.59 0.07 0.00 0.82 0.00 0.00 66.70 67.21 3m71 h VAL 43 Cb 0.03 1.51 -0.06 0.00 -1.52 0.00 0.00 31.29 31.25 3m71 h VAL 43 CO -0.04 0.16 0.48 -0.07 0.02 0.00 0.00 177.57 178.12 3m71 h LEU 44 N -0.16 0.72 -0.43 2.57 3.38 -1.14 -1.34 115.31 118.92 3m71 h LEU 44 Ca 0.01 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 3m71 h LEU 44 Cb 0.25 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3m71 h LEU 44 CO 0.00 0.45 -0.06 1.23 0.09 0.00 0.00 178.44 180.15 3m71 h GLY 45 N 0.85 0.87 0.84 0.83 0.00 -0.52 0.24 103.07 106.18 3m71 h GLY 45 Ca 0.36 -0.69 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 3m71 h GLY 45 CO -0.20 0.63 0.02 -2.22 0.00 0.00 0.00 176.54 174.78 3m71 h ILE 46 N 0.64 1.23 -0.38 2.60 2.04 -0.64 -0.62 117.51 122.39 3m71 h ILE 46 Ca 0.11 -0.78 0.01 0.00 1.00 0.00 0.00 64.86 65.20 3m71 h ILE 46 Cb 0.58 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 3m71 h ILE 46 CO 0.03 0.24 0.22 0.58 0.00 0.00 0.00 178.15 179.23 3m71 h VAL 47 N 0.14 1.05 -0.52 1.67 2.07 -1.18 -0.40 116.25 119.08 3m71 h VAL 47 Ca 0.06 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 3m71 h VAL 47 Cb 0.34 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3m71 h VAL 47 CO 0.01 0.08 0.32 0.00 0.02 0.00 0.00 177.57 177.99 3m71 h ALA 48 N 1.16 0.67 -0.67 1.67 0.00 -0.87 -1.37 119.26 119.85 3m71 h ALA 48 Ca 0.15 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3m71 h ALA 48 Cb -0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3m71 h ALA 48 CO -0.06 0.15 0.18 0.77 0.00 0.00 0.00 179.25 180.29 3m71 h SER 49 N 0.70 0.99 -0.51 0.00 0.02 -0.84 -0.23 113.55 113.69 3m71 h SER 49 Ca 0.19 -0.22 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 3m71 h SER 49 Cb -0.01 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 3m71 h SER 49 CO -0.04 0.95 0.21 0.00 -1.14 0.00 0.00 176.83 176.81 3m71 h ALA 50 N 1.08 0.67 -0.47 3.77 0.00 -0.77 -0.18 119.26 123.36 3m71 h ALA 50 Ca 0.21 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3m71 h ALA 50 Cb 0.33 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3m71 h ALA 50 CO -0.00 0.28 0.12 0.28 0.00 0.00 0.00 179.25 179.93 3m71 h VAL 51 N 0.69 1.23 -0.37 0.00 2.07 -1.14 -1.99 116.25 116.74 3m71 h VAL 51 Ca 0.17 -0.81 0.05 0.00 0.82 0.00 0.00 66.70 66.93 3m71 h VAL 51 Cb 0.20 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 3m71 h VAL 51 CO -0.01 0.29 0.09 -0.25 0.02 0.00 0.00 177.57 177.71 3m71 h TRP 52 N 0.62 0.16 -0.51 1.57 7.01 -0.89 -0.20 115.95 123.71 3m71 h TRP 52 Ca 0.15 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.21 3m71 h TRP 52 Cb 0.32 -0.02 -0.04 0.00 -2.10 0.00 0.00 29.16 27.32 3m71 h TRP 52 CO 0.02 0.04 0.26 0.82 -2.79 0.00 0.00 178.44 176.79 3m71 h ILE 53 N 0.23 0.97 -0.51 2.65 2.04 -0.81 0.12 117.51 122.20 3m71 h ILE 53 Ca 0.18 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 3m71 h ILE 53 Cb 0.19 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 3m71 h ILE 53 CO -0.21 0.09 0.30 0.25 0.00 0.00 0.00 178.15 178.58 3m71 h LEU 54 N 0.52 0.62 -0.59 1.44 5.85 -1.01 -1.25 115.31 120.90 3m71 h LEU 54 Ca 0.22 -0.07 -0.15 0.00 0.84 0.00 0.00 57.88 58.72 3m71 h LEU 54 Cb 0.11 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 3m71 h LEU 54 CO -0.14 0.51 -0.58 -0.26 -0.34 0.00 0.00 178.44 177.63 3m71 h PHE 55 N 0.68 0.50 -0.51 1.25 -1.00 -0.48 -0.31 116.94 117.06 3m71 h PHE 55 Ca 0.18 -0.18 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 3m71 h PHE 55 Cb 0.01 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 39.46 3m71 h PHE 55 CO -0.02 0.88 0.27 0.82 -1.61 0.00 0.00 178.31 178.65 3m71 h ILE 56 N 0.30 1.18 -0.55 -0.55 1.08 -0.54 0.43 117.51 118.86 3m71 h ILE 56 Ca -0.00 -0.47 -0.01 0.00 -0.39 0.00 0.00 64.86 63.99 3m71 h ILE 56 Cb 1.10 0.56 -0.03 0.00 -3.07 0.00 0.00 36.82 35.38 3m71 h ILE 56 CO 0.10 0.20 0.31 -0.07 -0.69 0.00 0.00 178.15 178.00 3m71 h LEU 57 N 0.68 0.68 -1.02 1.44 3.38 -0.91 0.22 115.31 119.78 3m71 h LEU 57 Ca 0.18 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.08 3m71 h LEU 57 Cb 0.07 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 3m71 h LEU 57 CO -0.03 0.56 0.63 0.24 0.09 0.00 0.00 178.44 179.94 3m71 h MET 58 N 0.74 1.29 -0.05 1.13 2.86 -0.83 -1.44 114.93 118.62 3m71 h MET 58 Ca 0.20 -0.09 -0.17 0.00 -2.06 0.00 0.00 59.70 57.58 3m71 h MET 58 Cb 0.03 -0.29 -0.01 0.00 0.06 0.00 0.00 31.60 31.39 3m71 h MET 58 CO -0.03 0.86 -0.71 -0.92 1.06 0.00 0.00 176.91 177.17 3m71 h TYR 59 N 1.32 0.36 -0.84 -0.22 3.20 -0.54 -0.94 116.97 119.31 3m71 h TYR 59 Ca 0.35 -0.16 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 3m71 h TYR 59 Cb -0.13 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.04 3m71 h TYR 59 CO 0.00 0.88 0.47 0.00 -1.64 0.00 0.00 178.16 177.88 3m71 h ALA 60 N 1.07 1.26 -0.62 1.82 0.00 -0.68 0.11 119.26 122.22 3m71 h ALA 60 Ca -0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3m71 h ALA 60 Cb 1.26 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 3m71 h ALA 60 CO 0.11 0.61 0.29 -0.92 0.00 0.00 0.00 179.25 179.35 3m71 h TYR 61 N 1.16 0.91 -0.50 0.00 3.20 -1.00 -1.54 116.97 119.20 3m71 h TYR 61 Ca 0.30 -0.05 0.04 0.00 3.14 0.00 0.00 58.73 62.16 3m71 h TYR 61 Cb 0.00 -0.28 -0.04 0.00 1.54 0.00 0.00 36.73 37.95 3m71 h TYR 61 CO 0.01 0.69 0.26 -0.22 -1.64 0.00 0.00 178.16 177.26 3m71 h LYS 62 N 0.86 0.49 -0.56 1.82 3.64 -0.51 0.64 116.57 122.95 3m71 h LYS 62 Ca 0.21 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.52 3m71 h LYS 62 Cb 0.13 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 3m71 h LYS 62 CO -0.03 0.33 0.15 -0.07 -2.27 0.00 0.00 179.45 177.56 3m71 h LEU 63 N 0.51 0.80 -0.05 5.20 3.38 -0.69 0.29 115.31 124.75 3m71 h LEU 63 Ca 0.22 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 3m71 h LEU 63 Cb 0.12 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.67 3m71 h LEU 63 CO -0.15 0.77 -0.51 -0.09 0.09 0.00 0.00 178.44 178.55 3m71 h ARG 64 N 0.83 0.42 0.00 1.13 9.65 -0.81 -3.34 114.38 122.27 3m71 h ARG 64 Ca 0.18 -0.39 0.00 0.00 -1.10 0.00 0.00 59.98 58.67 3m71 h ARG 64 Cb 0.27 0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.95 3m71 h ARG 64 CO -0.00 1.05 -0.66 0.66 2.80 0.00 0.00 179.97 183.82 3m71 n TYR 65 N -4.27 0.00 -2.36 2.20 4.01 0.18 -4.65 117.16 112.27 3m71 n TYR 65 Ca -0.09 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.51 3m71 n TYR 65 Cb 0.61 -0.05 0.03 0.00 -0.31 0.00 0.00 39.34 39.62 3m71 n TYR 65 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3m71 n TYR 66 N -1.36 2.13 -0.15 -0.72 4.01 0.10 -4.93 117.16 116.25 3m71 n TYR 66 Ca 0.00 -2.18 0.04 0.00 -0.16 0.00 0.00 57.90 55.60 3m71 n TYR 66 Cb 0.12 -0.29 0.33 0.00 -0.31 0.00 0.00 39.34 39.19 3m71 n TYR 66 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 3m71 h PHE 67 N 2.35 0.76 0.00 -0.72 3.57 -1.61 -1.13 116.94 120.17 3m71 h PHE 67 Ca 0.16 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 3m71 h PHE 67 Cb 1.43 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.91 3m71 h PHE 67 CO 0.71 0.45 -0.12 0.93 -2.23 0.00 0.00 178.31 178.05 3m71 h GLU 68 N 0.80 0.00 -0.36 1.11 4.39 -1.91 0.79 114.58 119.39 3m71 h GLU 68 Ca 0.26 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.90 3m71 h GLU 68 Cb 0.03 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 3m71 h GLU 68 CO -0.07 0.12 0.02 0.93 -1.16 0.00 0.00 179.01 178.86 3m71 h GLU 69 N 0.00 0.63 -0.24 2.33 5.08 -1.57 -1.40 114.58 119.40 3m71 h GLU 69 Ca -0.00 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 3m71 h GLU 69 Cb 0.24 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3m71 h GLU 69 CO 0.02 0.72 0.11 0.28 -1.00 0.00 0.00 179.01 179.13 3m71 h VAL 70 N 0.45 1.15 -0.65 3.13 2.07 -1.23 -1.80 116.25 119.39 3m71 h VAL 70 Ca 0.11 -0.45 0.06 0.00 0.82 0.00 0.00 66.70 67.23 3m71 h VAL 70 Cb 0.42 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 3m71 h VAL 70 CO 0.01 0.15 0.35 -0.09 0.02 0.00 0.00 177.57 178.02 3m71 h ARG 71 N 0.25 0.64 -0.59 1.57 2.43 -0.77 0.16 114.38 118.08 3m71 h ARG 71 Ca 0.08 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.11 3m71 h ARG 71 Cb 0.14 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 3m71 h ARG 71 CO -0.01 0.42 -0.05 0.00 -1.51 0.00 0.00 179.97 178.82 3m71 h ALA 72 N 1.34 0.80 -0.45 2.80 0.00 -1.07 -1.72 119.26 120.94 3m71 h ALA 72 Ca 0.29 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3m71 h ALA 72 Cb 0.18 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3m71 h ALA 72 CO -0.18 0.68 0.29 0.93 0.00 0.00 0.00 179.25 180.96 3m71 h GLU 73 N 0.96 0.61 -0.52 0.00 5.08 -0.86 -2.23 114.58 117.63 3m71 h GLU 73 Ca 0.16 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.50 3m71 h GLU 73 Cb 0.62 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 3m71 h GLU 73 CO 0.04 0.43 0.31 -0.92 -1.00 0.00 0.00 179.01 177.87 3m71 h TYR 74 N 0.61 0.58 0.00 4.33 3.20 -0.72 -1.82 116.97 123.14 3m71 h TYR 74 Ca 0.16 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.05 3m71 h TYR 74 Cb -0.03 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.05 3m71 h TYR 74 CO -0.04 0.33 -0.18 0.72 -1.64 0.00 0.00 178.16 177.36 3m71 n HIS 75 N -4.80 0.42 -2.07 -3.82 8.25 -0.67 -4.55 115.22 107.98 3m71 n HIS 75 Ca 0.04 0.12 -0.42 0.00 -0.26 0.00 0.00 57.72 57.20 3m71 n HIS 75 Cb 0.08 -0.65 -0.03 0.00 1.12 0.00 0.00 29.99 30.51 3m71 n HIS 75 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3m71 s SER 76 N -3.74 6.72 0.00 0.41 0.15 -0.84 -4.90 113.70 111.49 3m71 s SER 76 Ca 0.11 2.51 0.18 0.00 0.70 0.00 0.00 55.95 59.46 3m71 s SER 76 Cb 0.15 -2.60 0.85 0.00 -1.71 0.00 0.00 66.02 62.71 3m71 s SER 76 CO 0.61 -0.69 1.57 -0.81 1.20 0.00 0.00 173.24 175.12 3m71 n PRO 77 N 3.27 0.12 -0.08 5.44 -0.04 -1.26 -2.59 135.00 139.85 3m71 n PRO 77 Ca 0.10 0.15 -0.17 0.00 -0.04 0.00 0.00 63.50 63.54 3m71 n PRO 77 Cb 0.41 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.31 3m71 n PRO 77 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3m71 n VAL 78 N -1.40 1.04 0.54 0.52 0.31 -1.26 -4.78 118.33 113.30 3m71 n VAL 78 Ca 0.06 -0.19 0.13 0.00 -0.01 0.00 0.00 64.34 64.34 3m71 n VAL 78 Cb 0.18 -1.79 0.42 0.00 -0.91 0.00 0.00 33.84 31.74 3m71 n VAL 78 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3m71 h ARG 79 N -0.64 0.00 -0.42 5.55 3.08 -1.77 -3.14 114.38 117.04 3m71 h ARG 79 Ca -0.40 0.00 0.04 0.00 0.07 0.00 0.00 59.98 59.70 3m71 h ARG 79 Cb 1.30 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.33 3m71 h ARG 79 CO -0.24 0.00 0.28 0.27 -1.07 0.00 0.00 179.97 179.21 3m71 h PHE 80 N 0.00 0.40 -0.64 3.04 -5.15 -1.07 -2.85 116.94 110.68 3m71 h PHE 80 Ca 0.00 0.01 0.06 0.00 -0.20 0.00 0.00 57.97 57.84 3m71 h PHE 80 Cb 0.67 -0.13 -0.04 0.00 0.22 0.00 0.00 35.95 36.67 3m71 h PHE 80 CO 0.00 0.23 0.42 0.77 -2.00 0.00 0.00 178.31 177.73 3m71 h SER 81 N 0.41 0.58 0.24 -0.68 0.02 -1.84 -1.69 113.55 110.60 3m71 h SER 81 Ca 0.18 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 3m71 h SER 81 Cb 0.19 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 3m71 h SER 81 CO -0.04 0.38 -0.09 -0.26 -1.14 0.00 0.00 176.83 175.68 3m71 h PHE 82 N 0.66 0.00 -0.21 3.45 0.04 -1.76 -1.75 116.94 117.37 3m71 h PHE 82 Ca 0.27 0.00 0.03 0.00 2.80 0.00 0.00 57.97 61.07 3m71 h PHE 82 Cb 0.23 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 3m71 h PHE 82 CO -0.00 0.09 0.14 0.82 -0.60 0.00 0.00 178.31 178.76 3m71 h ILE 83 N 0.00 0.98 0.00 -0.55 2.04 -1.49 -1.16 117.51 117.33 3m71 h ILE 83 Ca -0.00 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 3m71 h ILE 83 Cb 0.24 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 3m71 h ILE 83 CO 0.01 0.03 -0.01 0.00 0.00 0.00 0.00 178.15 178.18 3m71 h ALA 84 N 1.88 1.15 -0.19 1.87 0.00 -1.47 -0.74 119.26 121.76 3m71 h ALA 84 Ca 0.09 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.05 3m71 h ALA 84 Cb 0.17 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3m71 h ALA 84 CO -0.01 0.01 0.17 -0.07 0.00 0.00 0.00 179.25 179.35 3m71 h LEU 85 N 0.00 0.00 0.32 0.00 3.38 -1.37 -2.13 115.31 115.52 3m71 h LEU 85 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3m71 h LEU 85 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3m71 h LEU 85 CO 0.00 0.00 -0.15 0.40 0.09 0.00 0.00 178.44 178.78 3m71 h ILE 86 N 0.00 0.64 -0.17 1.22 2.04 -1.31 -0.92 117.51 119.01 3m71 h ILE 86 Ca 0.09 -0.64 -0.09 0.00 1.00 0.00 0.00 64.86 65.22 3m71 h ILE 86 Cb 0.43 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 3m71 h ILE 86 CO -0.00 0.11 -0.29 1.55 0.00 0.00 0.00 178.15 179.52 3m71 h PRO 87 N -0.82 0.33 0.31 2.37 0.13 -1.70 -1.52 132.00 131.10 3m71 h PRO 87 Ca -0.04 -0.12 -0.00 0.00 -0.87 0.00 0.00 66.00 64.96 3m71 h PRO 87 Cb 0.52 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.61 3m71 h PRO 87 CO 0.07 0.59 -0.26 0.82 -0.23 0.00 0.00 178.00 178.99 3m71 h ILE 88 N 0.29 0.44 -0.51 -3.56 2.04 -1.37 -1.62 117.51 113.22 3m71 h ILE 88 Ca 0.04 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.86 3m71 h ILE 88 Cb 0.66 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 3m71 h ILE 88 CO 0.05 0.00 0.15 0.74 0.00 0.00 0.00 178.15 179.09 3m71 h THR 89 N -0.59 1.21 -0.58 -0.27 2.02 -1.02 -1.83 112.91 111.85 3m71 h THR 89 Ca -0.02 -0.71 0.01 0.00 0.77 0.00 0.00 66.41 66.46 3m71 h THR 89 Cb 0.52 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 3m71 h THR 89 CO -0.03 0.27 0.38 0.74 0.37 0.00 0.00 175.52 177.25 3m71 h THR 90 N 0.74 1.12 -0.54 3.16 2.02 -1.00 -0.10 112.91 118.32 3m71 h THR 90 Ca 0.17 -0.26 -0.06 0.00 0.77 0.00 0.00 66.41 67.03 3m71 h THR 90 Cb 0.23 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 3m71 h THR 90 CO -0.01 0.14 0.09 0.24 0.37 0.00 0.00 175.52 176.35 3m71 h MET 91 N 0.76 0.90 -0.80 6.66 2.07 -0.91 -1.33 114.93 122.29 3m71 h MET 91 Ca 0.22 -0.24 -0.04 0.00 -2.07 0.00 0.00 59.70 57.57 3m71 h MET 91 Cb -0.06 -0.11 -0.04 0.00 -1.87 0.00 0.00 31.60 29.53 3m71 h MET 91 CO -0.06 0.87 0.34 -0.07 1.07 0.00 0.00 176.91 179.05 3m71 h LEU 92 N 0.79 1.09 -0.69 1.22 3.38 -0.97 0.15 115.31 120.28 3m71 h LEU 92 Ca 0.17 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3m71 h LEU 92 Cb 0.40 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3m71 h LEU 92 CO 0.01 0.95 0.30 0.58 0.09 0.00 0.00 178.44 180.37 3m71 h VAL 93 N 1.15 1.24 -0.49 1.22 2.07 -0.93 -1.30 116.25 119.21 3m71 h VAL 93 Ca 0.27 -0.72 0.07 0.00 0.82 0.00 0.00 66.70 67.14 3m71 h VAL 93 Cb 0.19 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 30.32 3m71 h VAL 93 CO -0.03 0.29 0.15 1.23 0.02 0.00 0.00 177.57 179.23 3m71 h GLY 94 N 0.97 0.63 0.83 2.17 0.00 -0.49 0.19 103.07 107.37 3m71 h GLY 94 Ca 0.23 -0.07 0.04 0.00 0.00 0.00 0.00 47.33 47.53 3m71 h GLY 94 CO -0.02 -0.01 0.46 -0.55 0.00 0.00 0.00 176.54 176.41 3m71 h ASP 95 N 0.31 0.74 0.21 0.19 5.19 -0.49 -0.92 116.42 121.65 3m71 h ASP 95 Ca 0.24 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.64 3m71 h ASP 95 Cb 0.27 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.63 3m71 h ASP 95 CO -0.26 0.50 -0.11 0.40 -3.12 0.00 0.00 179.24 176.65 3m71 h ILE 96 N 0.88 0.78 0.00 0.35 2.04 -0.68 -3.12 117.51 117.76 3m71 h ILE 96 Ca 0.30 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.16 3m71 h ILE 96 Cb 0.06 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 3m71 h ILE 96 CO -0.13 0.00 -0.04 -0.07 0.00 0.00 0.00 178.15 177.92 3m71 h LEU 97 N -0.30 0.00 -1.75 1.44 3.38 -0.46 -2.62 115.31 115.01 3m71 h LEU 97 Ca -0.03 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.14 3m71 h LEU 97 Cb 0.23 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 3m71 h LEU 97 CO 0.04 0.04 0.54 0.22 0.09 0.00 0.00 178.44 179.37 3m71 h TYR 98 N 0.00 0.28 0.00 1.13 3.20 -1.11 0.15 116.97 120.62 3m71 h TYR 98 Ca -0.00 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 3m71 h TYR 98 Cb 0.23 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.41 3m71 h TYR 98 CO 0.00 0.09 -0.07 0.07 -1.64 0.00 0.00 178.16 176.61 3m71 h ARG 99 N 0.22 0.00 0.00 1.82 0.11 -1.64 -3.27 114.38 111.62 3m71 h ARG 99 Ca 0.39 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 60.30 3m71 h ARG 99 Cb 1.19 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.24 3m71 h ARG 99 CO -0.09 0.07 -1.66 0.91 0.10 0.00 0.00 179.97 179.31 3m71 n TRP 100 N -3.32 0.00 -3.11 4.08 8.01 0.01 -4.96 117.44 118.16 3m71 n TRP 100 Ca -0.01 0.00 -0.09 0.00 -1.31 0.00 0.00 57.50 56.09 3m71 n TRP 100 Cb 0.25 -0.46 -0.03 0.00 -2.01 0.00 0.00 31.31 29.06 3m71 n TRP 100 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.69 177.89 3m71 s ASN 101 N -4.54 -0.43 0.56 -0.99 3.84 0.32 -5.03 114.94 108.67 3m71 s ASN 101 Ca -0.09 -1.68 0.26 0.00 0.21 0.00 0.00 52.86 51.55 3m71 s ASN 101 Cb 0.03 1.25 1.53 0.00 -0.55 0.00 0.00 41.25 43.51 3m71 s ASN 101 CO 0.34 -0.15 2.08 -0.65 -2.79 0.00 0.00 177.10 175.93 3m71 h PRO 102 N 6.05 0.00 0.01 0.43 0.11 -1.76 -1.84 132.00 135.00 3m71 h PRO 102 Ca 0.09 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.20 3m71 h PRO 102 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3m71 h PRO 102 CO 0.13 0.00 -0.00 -0.07 -0.21 0.00 0.00 178.00 177.85 3m71 h LEU 103 N 0.00 -0.01 -0.80 2.35 3.38 -1.94 -1.04 115.31 117.25 3m71 h LEU 103 Ca 0.12 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.56 3m71 h LEU 103 Cb 0.57 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 3m71 h LEU 103 CO -0.00 0.51 0.43 0.40 0.09 0.00 0.00 178.44 179.86 3m71 h ILE 104 N -0.53 1.24 -0.39 1.22 2.04 -1.93 -2.20 117.51 116.98 3m71 h ILE 104 Ca -0.00 -0.62 0.05 0.00 1.00 0.00 0.00 64.86 65.29 3m71 h ILE 104 Cb 0.52 0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 3m71 h ILE 104 CO 0.00 0.27 0.12 0.00 0.00 0.00 0.00 178.15 178.55 3m71 h ALA 105 N 1.22 0.45 -0.74 1.87 0.00 -1.28 -1.88 119.26 118.90 3m71 h ALA 105 Ca 0.28 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 3m71 h ALA 105 Cb 0.05 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3m71 h ALA 105 CO -0.04 -0.27 0.28 1.49 0.00 0.00 0.00 179.25 180.71 3m71 h GLU 106 N 0.27 1.11 -0.27 0.00 4.81 -0.77 -0.58 114.58 119.15 3m71 h GLU 106 Ca 0.18 -0.20 0.02 0.00 -0.13 0.00 0.00 59.36 59.23 3m71 h GLU 106 Cb 0.17 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 3m71 h GLU 106 CO -0.20 0.91 0.14 0.28 -0.73 0.00 0.00 179.01 179.41 3m71 h VAL 107 N 1.08 1.00 -0.77 0.32 2.07 -0.85 -1.19 116.25 117.90 3m71 h VAL 107 Ca 0.25 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 3m71 h VAL 107 Cb 0.22 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 3m71 h VAL 107 CO -0.02 0.05 0.39 -0.07 0.02 0.00 0.00 177.57 177.94 3m71 h LEU 108 N 0.29 0.99 -0.55 2.57 3.38 -1.00 -0.64 115.31 120.34 3m71 h LEU 108 Ca 0.11 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3m71 h LEU 108 Cb 0.03 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3m71 h LEU 108 CO -0.07 0.83 0.22 0.40 0.09 0.00 0.00 178.44 179.91 3m71 h ILE 109 N 1.08 1.22 -0.35 1.22 2.04 -0.82 -0.28 117.51 121.62 3m71 h ILE 109 Ca 0.27 -0.67 -0.16 0.00 1.00 0.00 0.00 64.86 65.30 3m71 h ILE 109 Cb 0.09 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 3m71 h ILE 109 CO -0.04 0.26 -0.41 -0.50 0.00 0.00 0.00 178.15 177.46 3m71 h TRP 110 N 0.74 1.04 -0.40 1.37 4.06 -1.01 -0.05 115.95 121.70 3m71 h TRP 110 Ca 0.18 -0.32 0.02 0.00 2.06 0.00 0.00 58.89 60.83 3m71 h TRP 110 Cb 0.19 -0.22 -0.03 0.00 -1.00 0.00 0.00 29.16 28.11 3m71 h TRP 110 CO 0.01 1.12 0.24 0.82 -3.56 0.00 0.00 178.44 177.06 3m71 h ILE 111 N 0.70 1.05 -0.18 1.49 2.04 -0.90 0.53 117.51 122.24 3m71 h ILE 111 Ca 0.05 -0.16 -0.13 0.00 1.00 0.00 0.00 64.86 65.62 3m71 h ILE 111 Cb 0.99 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 3m71 h ILE 111 CO 0.10 0.09 -0.45 1.23 0.00 0.00 0.00 178.15 179.11 3m71 h GLY 112 N 0.48 0.48 0.58 5.37 0.00 -0.89 0.04 103.07 109.13 3m71 h GLY 112 Ca 0.16 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 3m71 h GLY 112 CO -0.07 0.45 -0.00 -0.84 0.00 0.00 0.00 176.54 176.07 3m71 h THR 113 N 0.36 1.32 -0.68 4.70 2.02 -0.76 -0.46 112.91 119.41 3m71 h THR 113 Ca 0.02 -0.98 -0.02 0.00 0.77 0.00 0.00 66.41 66.21 3m71 h THR 113 Cb 0.93 1.98 -0.03 0.00 -1.74 0.00 0.00 68.15 69.29 3m71 h THR 113 CO 0.08 0.25 0.36 0.40 0.37 0.00 0.00 175.52 176.98 3m71 h ILE 114 N -0.43 1.22 -0.13 3.11 2.04 -0.91 -1.65 117.51 120.76 3m71 h ILE 114 Ca -0.00 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.29 3m71 h ILE 114 Cb 0.42 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 3m71 h ILE 114 CO 0.00 0.24 0.08 1.23 0.00 0.00 0.00 178.15 179.71 3m71 h GLY 115 N 0.93 0.18 1.23 5.37 0.00 -0.97 -0.29 103.07 109.53 3m71 h GLY 115 Ca 0.24 -0.07 -0.12 0.00 0.00 0.00 0.00 47.33 47.38 3m71 h GLY 115 CO -0.04 0.06 -0.18 0.06 0.00 0.00 0.00 176.54 176.45 3m71 h GLN 116 N 0.17 0.88 -0.45 4.80 -0.00 -0.95 -0.54 115.11 119.03 3m71 h GLN 116 Ca 0.05 -0.35 -0.12 0.00 -0.00 0.00 0.00 58.65 58.23 3m71 h GLN 116 Cb -0.02 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 27.40 3m71 h GLN 116 CO -0.01 0.99 -0.19 1.25 -0.00 0.00 0.00 178.83 180.87 3m71 h LEU 117 N 0.78 0.95 -0.41 0.06 5.85 -1.17 -1.17 115.31 120.20 3m71 h LEU 117 Ca 0.11 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.44 3m71 h LEU 117 Cb 0.72 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 3m71 h LEU 117 CO 0.06 1.13 0.26 0.25 -0.34 0.00 0.00 178.44 179.80 3m71 h LEU 118 N 0.77 0.48 -0.19 2.25 5.85 -0.95 -0.98 115.31 122.54 3m71 h LEU 118 Ca 0.10 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.81 3m71 h LEU 118 Cb 0.76 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 3m71 h LEU 118 CO 0.06 0.37 0.07 0.15 -0.34 0.00 0.00 178.44 178.75 3m71 h PHE 119 N 0.54 0.13 -0.46 1.25 3.57 -0.82 -0.06 116.94 121.10 3m71 h PHE 119 Ca 0.15 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.55 3m71 h PHE 119 Cb -0.03 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 3m71 h PHE 119 CO -0.04 0.07 -0.12 0.77 -2.23 0.00 0.00 178.31 176.76 3m71 h SER 120 N 0.17 0.91 -1.00 0.41 0.02 -1.18 -0.39 113.55 112.49 3m71 h SER 120 Ca 0.08 -0.37 0.05 0.00 -0.84 0.00 0.00 61.79 60.71 3m71 h SER 120 Cb 0.04 -0.25 -0.06 0.00 0.14 0.00 0.00 62.40 62.27 3m71 h SER 120 CO -0.08 1.06 0.65 0.74 -1.14 0.00 0.00 176.83 178.07 3m71 h THR 121 N 0.74 1.14 -0.08 -2.27 2.02 -0.99 0.66 112.91 114.13 3m71 h THR 121 Ca 0.12 -0.42 -0.15 0.00 0.77 0.00 0.00 66.41 66.72 3m71 h THR 121 Cb 0.67 -0.20 0.01 0.00 -1.74 0.00 0.00 68.15 66.89 3m71 h THR 121 CO 0.05 0.22 -0.55 -0.07 0.37 0.00 0.00 175.52 175.54 3m71 h LEU 122 N 1.23 0.63 0.00 2.58 3.38 -0.77 -3.38 115.31 118.97 3m71 h LEU 122 Ca 0.41 -0.67 -0.33 0.00 0.09 0.00 0.00 57.88 57.39 3m71 h LEU 122 Cb 0.07 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 3m71 h LEU 122 CO -0.15 1.20 -2.20 -1.14 0.09 0.00 0.00 178.44 176.24 3m71 n ARG 123 N -4.20 0.51 -0.15 1.13 3.00 -0.18 -3.79 116.66 112.97 3m71 n ARG 123 Ca -0.09 0.14 -0.09 0.00 -0.00 0.00 0.00 57.85 57.81 3m71 n ARG 123 Cb 0.63 -1.38 -0.00 0.00 0.00 0.00 0.00 32.46 31.70 3m71 n ARG 123 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 3m71 h VAL 124 N -0.20 1.24 -0.55 5.15 2.07 -1.03 -2.79 116.25 120.14 3m71 h VAL 124 Ca -0.49 -0.85 -0.07 0.00 0.82 0.00 0.00 66.70 66.11 3m71 h VAL 124 Cb 1.66 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.35 3m71 h VAL 124 CO -0.14 0.30 0.07 0.77 0.02 0.00 0.00 177.57 178.59 3m71 h SER 125 N 0.59 0.83 -0.12 0.57 4.64 -1.71 -2.98 113.55 115.37 3m71 h SER 125 Ca 0.14 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3m71 h SER 125 Cb 0.35 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 3m71 h SER 125 CO 0.00 0.85 0.08 -0.08 -0.87 0.00 0.00 176.83 176.82 3m71 h GLU 126 N 0.83 0.17 -0.58 4.77 4.81 -1.59 -0.66 114.58 122.32 3m71 h GLU 126 Ca 0.17 -0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.52 3m71 h GLU 126 Cb 0.39 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 3m71 h GLU 126 CO 0.01 0.11 0.40 -0.07 -0.73 0.00 0.00 179.01 178.73 3m71 h LEU 127 N 0.17 0.21 0.00 1.64 3.38 -1.40 -1.78 115.31 117.54 3m71 h LEU 127 Ca 0.05 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3m71 h LEU 127 Cb -0.01 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3m71 h LEU 127 CO -0.01 0.12 0.00 0.79 0.09 0.00 0.00 178.44 179.43 3m71 n TRP 128 N -4.44 0.00 0.39 1.13 7.02 -0.25 -1.83 117.44 119.46 3m71 n TRP 128 Ca 0.10 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.71 3m71 n TRP 128 Cb 0.49 -0.44 0.52 0.00 -2.42 0.00 0.00 31.31 29.45 3m71 n TRP 128 CO 0.00 0.00 0.00 1.96 -2.02 0.00 0.00 177.69 177.63 3m71 h GLN 129 N 0.00 0.00 0.00 -0.99 4.20 -1.48 -3.49 115.11 113.35 3m71 h GLN 129 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3m71 h GLN 129 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 3m71 h GLN 129 CO 0.00 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 3m71 n GLY 130 N 0.16 -2.01 2.21 3.46 0.00 -0.76 -4.96 105.19 103.30 3m71 n GLY 130 Ca 0.02 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.53 3m71 n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m71 n GLY 131 N -1.59 1.30 0.80 -0.02 0.00 -1.26 -4.80 105.19 99.62 3m71 n GLY 131 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 3m71 n GLY 131 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3m71 n VAL 132 N -2.00 1.19 -1.73 1.61 0.31 -1.26 -4.97 118.33 111.47 3m71 n VAL 132 Ca 0.00 0.32 -0.42 0.00 -0.01 0.00 0.00 64.34 64.23 3m71 n VAL 132 Cb 0.00 -1.72 -0.02 0.00 -0.91 0.00 0.00 33.84 31.19 3m71 n VAL 132 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 3m71 n PHE 133 N -3.63 2.72 -4.58 3.52 7.35 -1.26 -4.87 117.46 116.70 3m71 n PHE 133 Ca -0.03 0.29 -0.27 0.00 -0.76 0.00 0.00 57.45 56.68 3m71 n PHE 133 Cb 0.12 -2.57 -0.11 0.00 0.35 0.00 0.00 39.48 37.27 3m71 n PHE 133 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 3m71 s GLU 134 N -0.47 1.89 0.27 -4.13 2.02 -1.26 -5.00 118.70 112.02 3m71 s GLU 134 Ca 0.65 -2.03 0.01 0.00 0.02 0.00 0.00 54.97 53.61 3m71 s GLU 134 Cb -0.53 -1.63 0.58 0.00 0.10 0.00 0.00 34.13 32.66 3m71 s GLU 134 CO 0.49 0.02 1.76 0.37 0.02 0.00 0.00 175.26 177.92 3m71 h GLN 135 N 1.89 0.62 0.00 1.61 5.75 -2.01 0.95 115.11 123.92 3m71 h GLN 135 Ca -0.43 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.03 3m71 h GLN 135 Cb 1.24 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.65 3m71 h GLN 135 CO 0.76 0.41 0.00 0.36 -2.65 0.00 0.00 178.83 177.72 3m71 n LYS 136 N -4.86 0.03 0.00 1.69 2.85 -1.26 -2.02 118.16 114.59 3m71 n LYS 136 Ca 0.18 0.41 0.15 0.00 -1.05 0.00 0.00 58.31 58.01 3m71 n LYS 136 Cb 0.47 -1.57 0.83 0.00 -0.65 0.00 0.00 35.03 34.11 3m71 n LYS 136 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 3m71 n SER 137 N -1.62 0.12 -4.56 -5.58 7.64 0.33 -4.72 113.62 105.22 3m71 n SER 137 Ca 0.01 -0.69 -0.42 0.00 1.01 0.00 0.00 58.87 58.78 3m71 n SER 137 Cb 0.09 -0.10 -0.01 0.00 -1.01 0.00 0.00 64.21 63.17 3m71 n SER 137 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3m71 s THR 138 N -2.24 4.09 0.18 0.44 2.01 -0.86 -4.76 115.64 114.49 3m71 s THR 138 Ca 0.39 -1.49 0.10 0.00 0.31 0.00 0.00 61.69 61.00 3m71 s THR 138 Cb 0.21 -5.12 -0.04 0.00 0.01 0.00 0.00 72.50 67.55 3m71 s THR 138 CO 0.41 -1.97 -0.16 -1.00 -0.69 0.00 0.00 174.62 171.22 3m71 s HIS 139 N 4.39 2.50 0.54 4.92 3.76 -1.26 -4.89 115.29 125.26 3m71 s HIS 139 Ca 0.50 -0.28 0.25 0.00 -0.15 0.00 0.00 55.06 55.39 3m71 s HIS 139 Cb 0.02 -1.24 1.43 0.00 1.11 0.00 0.00 32.58 33.89 3m71 s HIS 139 CO 0.00 0.49 2.02 -1.35 -0.85 0.00 0.00 174.74 175.05 3m71 h PRO 140 N 3.12 0.00 -0.09 8.40 0.11 -1.92 -2.07 132.00 139.55 3m71 h PRO 140 Ca -0.47 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.66 3m71 h PRO 140 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 3m71 h PRO 140 CO 0.51 0.00 0.13 0.66 -0.21 0.00 0.00 178.00 179.09 3m71 h SER 141 N 0.00 0.00 -0.03 -2.05 4.64 -1.94 -1.47 113.55 112.70 3m71 h SER 141 Ca 0.20 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.53 3m71 h SER 141 Cb 0.87 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.95 3m71 h SER 141 CO -0.00 0.00 0.03 0.15 -0.87 0.00 0.00 176.83 176.14 3m71 h PHE 142 N 0.00 0.00 -0.21 4.77 3.57 -1.71 -0.56 116.94 122.80 3m71 h PHE 142 Ca 0.04 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.60 3m71 h PHE 142 Cb 0.30 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 3m71 h PHE 142 CO 0.00 0.00 0.24 1.88 -2.23 0.00 0.00 178.31 178.20 3m71 h TYR 143 N 0.00 0.00 0.67 0.41 0.05 -1.48 -2.88 116.97 113.74 3m71 h TYR 143 Ca 0.02 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.76 3m71 h TYR 143 Cb 0.08 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.83 3m71 h TYR 143 CO 0.00 0.00 -0.32 -0.07 -1.05 0.00 0.00 178.16 176.72 3m71 h LEU 144 N 0.00 -0.76 -0.39 3.88 3.38 -1.30 0.35 115.31 120.46 3m71 h LEU 144 Ca 0.10 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.88 3m71 h LEU 144 Cb 0.57 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3m71 h LEU 144 CO -0.00 -0.45 -0.79 1.55 0.09 0.00 0.00 178.44 178.84 3m71 h PRO 145 N -1.06 0.25 0.00 1.13 0.13 -1.75 -1.72 132.00 128.98 3m71 h PRO 145 Ca -0.09 -0.23 -0.21 0.00 -0.87 0.00 0.00 66.00 64.59 3m71 h PRO 145 Cb 0.73 0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.88 3m71 h PRO 145 CO 0.15 0.92 -1.14 0.00 -0.23 0.00 0.00 178.00 177.70 3m71 h ALA 146 N 1.01 0.52 0.00 -0.56 0.00 -1.52 -3.41 119.26 115.30 3m71 h ALA 146 Ca -0.03 -0.99 0.00 0.00 0.00 0.00 0.00 54.91 53.89 3m71 h ALA 146 Cb 1.37 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3m71 h ALA 146 CO 0.12 1.24 0.00 0.28 0.00 0.00 0.00 179.25 180.89 3m71 n VAL 147 N -3.23 0.46 -0.36 0.00 0.31 -0.46 -4.64 118.33 110.42 3m71 n VAL 147 Ca -0.05 0.15 -0.03 0.00 -0.01 0.00 0.00 64.34 64.41 3m71 n VAL 147 Cb 0.94 -0.93 0.10 0.00 -0.91 0.00 0.00 33.84 33.03 3m71 n VAL 147 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3m71 h ALA 148 N 0.00 1.22 -0.86 3.52 0.00 -1.00 -1.94 119.26 120.21 3m71 h ALA 148 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3m71 h ALA 148 Cb 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 17.79 17.36 3m71 h ALA 148 CO 0.00 0.62 0.46 0.00 0.00 0.00 0.00 179.25 180.33 3m71 h ALA 149 N 1.35 1.10 -0.34 0.00 0.00 -1.53 -0.92 119.26 118.91 3m71 h ALA 149 Ca 0.35 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 3m71 h ALA 149 Cb -0.14 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.30 3m71 h ALA 149 CO -0.07 0.61 -0.05 -0.91 0.00 0.00 0.00 179.25 178.83 3m71 h ASN 150 N 1.20 0.64 -0.88 0.00 2.35 -1.67 -1.53 115.58 115.68 3m71 h ASN 150 Ca 0.30 -0.34 0.01 0.00 -0.55 0.00 0.00 56.30 55.71 3m71 h ASN 150 Cb 0.04 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.19 3m71 h ASN 150 CO -0.05 0.83 0.58 -0.26 -1.65 0.00 0.00 177.43 176.88 3m71 h PHE 151 N 0.43 1.11 -0.39 1.19 0.04 -1.11 -0.65 116.94 117.55 3m71 h PHE 151 Ca 0.09 0.02 -0.14 0.00 2.80 0.00 0.00 57.97 60.75 3m71 h PHE 151 Cb 0.53 -0.37 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 3m71 h PHE 151 CO 0.05 0.70 -0.30 1.15 -0.60 0.00 0.00 178.31 179.31 3m71 h THR 152 N 1.19 1.28 -0.67 -1.55 2.02 -0.99 -1.38 112.91 112.81 3m71 h THR 152 Ca 0.32 -1.46 0.04 0.00 0.77 0.00 0.00 66.41 66.08 3m71 h THR 152 Cb -0.13 1.35 -0.05 0.00 -1.74 0.00 0.00 68.15 67.58 3m71 h THR 152 CO -0.07 0.49 0.41 0.28 0.37 0.00 0.00 175.52 177.00 3m71 h SER 153 N 0.70 0.66 -0.04 4.18 0.02 -1.08 -0.94 113.55 117.05 3m71 h SER 153 Ca 0.07 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.06 3m71 h SER 153 Cb 0.88 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 63.25 3m71 h SER 153 CO 0.08 0.45 -0.16 0.00 -1.14 0.00 0.00 176.83 176.06 3m71 h ALA 154 N 1.30 -0.15 -0.40 3.77 0.00 -0.67 0.70 119.26 123.81 3m71 h ALA 154 Ca 0.28 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.22 3m71 h ALA 154 Cb 0.06 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3m71 h ALA 154 CO -0.12 -0.64 0.26 0.77 0.00 0.00 0.00 179.25 179.52 3m71 h SER 155 N -0.24 0.44 -0.41 0.00 0.02 -1.08 -1.88 113.55 110.40 3m71 h SER 155 Ca 0.07 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.89 3m71 h SER 155 Cb 0.33 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 3m71 h SER 155 CO -0.18 0.32 -0.22 0.28 -1.14 0.00 0.00 176.83 175.88 3m71 h SER 156 N 0.52 0.90 -0.52 3.07 0.02 -0.97 -1.37 113.55 115.21 3m71 h SER 156 Ca 0.15 -0.41 -0.09 0.00 -0.84 0.00 0.00 61.79 60.60 3m71 h SER 156 Cb -0.04 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.23 3m71 h SER 156 CO -0.04 1.12 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.68 3m71 h LEU 157 N 0.69 0.94 -0.74 5.07 3.38 -0.81 -2.60 115.31 121.23 3m71 h LEU 157 Ca 0.09 -0.26 0.03 0.00 0.09 0.00 0.00 57.88 57.83 3m71 h LEU 157 Cb 0.79 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 3m71 h LEU 157 CO 0.06 1.00 0.47 0.00 0.09 0.00 0.00 178.44 180.07 3m71 h ALA 158 N 1.09 0.96 -0.87 1.53 0.00 -1.14 -0.01 119.26 120.83 3m71 h ALA 158 Ca 0.16 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.16 3m71 h ALA 158 Cb 0.54 -0.25 -0.08 0.00 0.00 0.00 0.00 17.79 18.00 3m71 h ALA 158 CO 0.03 0.27 0.49 1.25 0.00 0.00 0.00 179.25 181.29 3m71 h LEU 159 N 0.92 0.67 0.00 0.00 5.85 -0.90 -0.50 115.31 121.35 3m71 h LEU 159 Ca 0.29 0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.08 3m71 h LEU 159 Cb -0.00 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 40.97 3m71 h LEU 159 CO -0.10 0.33 0.00 0.18 -0.34 0.00 0.00 178.44 178.51 3m71 n LEU 160 N -4.77 0.00 0.00 2.25 4.77 -0.87 -4.90 117.00 113.47 3m71 n LEU 160 Ca 0.16 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 3m71 n LEU 160 Cb 0.37 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3m71 n LEU 160 CO 0.24 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 3m71 n GLY 161 N 0.91 0.80 2.85 -0.72 0.00 -0.19 -5.01 105.19 103.83 3m71 n GLY 161 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3m71 n GLY 161 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3m71 n TYR 162 N -2.17 2.45 -0.14 1.61 4.01 -0.07 -4.85 117.16 118.01 3m71 n TYR 162 Ca 0.00 -2.56 -0.10 0.00 -0.16 0.00 0.00 57.90 55.08 3m71 n TYR 162 Cb 0.00 -1.24 -0.01 0.00 -0.31 0.00 0.00 39.34 37.78 3m71 n TYR 162 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3m71 h HIS 163 N 4.91 0.73 -0.48 -0.72 3.86 -1.85 -0.05 115.15 121.55 3m71 h HIS 163 Ca 0.35 -0.12 -0.13 0.00 -1.16 0.00 0.00 60.37 59.31 3m71 h HIS 163 Cb 0.49 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 3m71 h HIS 163 CO 1.16 0.74 -0.20 -0.44 0.86 0.00 0.00 177.93 180.04 3m71 h ASP 164 N 0.51 1.00 -0.93 2.45 3.32 -1.94 -0.10 116.42 120.74 3m71 h ASP 164 Ca 0.12 -0.37 0.01 0.00 0.02 0.00 0.00 57.03 56.80 3m71 h ASP 164 Cb 0.43 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.66 3m71 h ASP 164 CO 0.01 1.16 0.62 -0.07 -1.72 0.00 0.00 179.24 179.24 3m71 h LEU 165 N 0.85 1.07 -0.73 1.55 3.38 -1.95 -2.32 115.31 117.15 3m71 h LEU 165 Ca 0.11 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.10 3m71 h LEU 165 Cb 0.78 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 3m71 h LEU 165 CO 0.06 0.77 0.44 1.23 0.09 0.00 0.00 178.44 181.04 3m71 h GLY 166 N 1.26 1.08 1.69 0.83 0.00 -0.28 -1.49 103.07 106.16 3m71 h GLY 166 Ca 0.34 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 3m71 h GLY 166 CO -0.07 0.23 0.19 -0.97 0.00 0.00 0.00 176.54 175.91 3m71 h TYR 167 N 0.83 0.39 -0.06 5.60 -1.99 -0.49 0.75 116.97 122.01 3m71 h TYR 167 Ca 0.31 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 61.05 3m71 h TYR 167 Cb 0.12 -0.13 -0.00 0.00 2.00 0.00 0.00 36.73 38.72 3m71 h TYR 167 CO -0.05 0.26 0.02 -0.07 -0.00 0.00 0.00 178.16 178.32 3m71 h LEU 168 N 0.42 0.08 -0.99 3.88 3.38 -0.97 -0.39 115.31 120.73 3m71 h LEU 168 Ca 0.11 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3m71 h LEU 168 Cb -0.02 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3m71 h LEU 168 CO -0.02 0.26 0.49 -0.26 0.09 0.00 0.00 178.44 179.00 3m71 h PHE 169 N -0.10 1.17 -0.28 1.13 0.04 -1.12 -1.62 116.94 116.16 3m71 h PHE 169 Ca 0.02 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.78 3m71 h PHE 169 Cb 0.20 -0.38 -0.01 0.00 2.20 0.00 0.00 35.95 37.96 3m71 h PHE 169 CO -0.01 0.80 0.18 0.35 -0.60 0.00 0.00 178.31 179.03 3m71 h PHE 170 N 1.21 0.34 -0.65 -0.55 3.57 -0.63 -1.30 116.94 118.93 3m71 h PHE 170 Ca 0.31 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.75 3m71 h PHE 170 Cb -0.00 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 3m71 h PHE 170 CO 0.01 0.21 0.15 0.78 -2.23 0.00 0.00 178.31 177.23 3m71 h GLY 171 N 0.37 1.12 0.80 2.40 0.00 -0.82 0.25 103.07 107.18 3m71 h GLY 171 Ca 0.10 -0.69 0.03 0.00 0.00 0.00 0.00 47.33 46.77 3m71 h GLY 171 CO -0.03 0.64 0.12 0.00 0.00 0.00 0.00 176.54 177.28 3m71 h ALA 172 N 1.17 0.35 -0.44 3.60 0.00 -1.06 -1.38 119.26 121.50 3m71 h ALA 172 Ca 0.21 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 3m71 h ALA 172 Cb 0.36 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3m71 h ALA 172 CO 0.00 -0.27 0.07 0.78 0.00 0.00 0.00 179.25 179.83 3m71 h GLY 173 N 0.27 0.78 0.76 0.00 0.00 -0.87 -1.39 103.07 102.61 3m71 h GLY 173 Ca 0.13 -0.52 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 3m71 h GLY 173 CO -0.11 0.48 -0.02 1.98 0.00 0.00 0.00 176.54 178.87 3m71 h MET 174 N 0.58 0.26 -0.37 4.80 -1.53 -0.80 -0.97 114.93 116.91 3m71 h MET 174 Ca 0.13 -0.09 -0.15 0.00 -3.44 0.00 0.00 59.70 56.15 3m71 h MET 174 Cb 0.37 -0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 31.40 3m71 h MET 174 CO 0.01 0.52 -0.38 0.82 0.14 0.00 0.00 176.91 178.02 3m71 h ILE 175 N -0.03 1.28 -0.77 1.77 2.04 -1.33 -2.49 117.51 117.96 3m71 h ILE 175 Ca 0.04 -1.55 0.06 0.00 1.00 0.00 0.00 64.86 64.40 3m71 h ILE 175 Cb 0.42 1.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.84 3m71 h ILE 175 CO 0.01 0.52 0.51 0.00 0.00 0.00 0.00 178.15 179.18 3m71 h ALA 176 N 0.84 1.63 0.46 1.87 0.00 -1.17 -0.90 119.26 121.99 3m71 h ALA 176 Ca 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3m71 h ALA 176 Cb 0.96 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3m71 h ALA 176 CO 0.09 0.26 -0.22 2.35 0.00 0.00 0.00 179.25 181.73 3m71 h TRP 177 N 0.85 -0.58 0.00 0.00 7.01 -0.90 -1.55 115.95 120.79 3m71 h TRP 177 Ca 0.33 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.32 3m71 h TRP 177 Cb 0.20 0.19 0.00 0.00 -2.10 0.00 0.00 29.16 27.46 3m71 h TRP 177 CO -0.00 -0.34 0.00 -0.84 -2.79 0.00 0.00 178.44 174.47 3m71 h ILE 178 N -0.65 0.00 -0.19 2.65 3.07 -1.15 -0.36 117.51 120.88 3m71 h ILE 178 Ca -0.06 -0.49 -0.17 0.00 1.55 0.00 0.00 64.86 65.69 3m71 h ILE 178 Cb 0.49 1.47 -0.00 0.00 -0.27 0.00 0.00 36.82 38.51 3m71 h ILE 178 CO 0.10 0.00 -0.58 0.40 -1.05 0.00 0.00 178.15 177.02 3m71 h ILE 179 N 0.00 1.32 0.07 0.16 2.04 -0.98 -3.38 117.51 116.73 3m71 h ILE 179 Ca 0.00 -1.84 -0.29 0.00 1.00 0.00 0.00 64.86 63.73 3m71 h ILE 179 Cb 0.50 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 3m71 h ILE 179 CO 0.00 0.57 -1.57 0.15 0.00 0.00 0.00 178.15 177.30 3m71 h PHE 180 N 0.45 0.25 -0.92 1.37 3.57 -0.71 -3.41 116.94 117.54 3m71 h PHE 180 Ca 0.00 -0.19 0.17 0.00 3.53 0.00 0.00 57.97 61.48 3m71 h PHE 180 Cb 1.14 -0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.80 3m71 h PHE 180 CO 0.05 1.62 0.59 1.49 -2.23 0.00 0.00 178.31 179.83 3m71 h GLU 181 N -0.48 0.62 -0.65 1.11 4.81 -1.26 -2.06 114.58 116.67 3m71 h GLU 181 Ca -0.37 -0.04 0.08 0.00 -0.13 0.00 0.00 59.36 58.90 3m71 h GLU 181 Cb 1.66 -0.14 -0.07 0.00 0.63 0.00 0.00 28.75 30.83 3m71 h GLU 181 CO -0.06 0.41 0.30 -1.35 -0.73 0.00 0.00 179.01 177.58 3m71 h PRO 182 N 0.63 0.52 0.00 0.92 0.11 -1.79 -1.04 132.00 131.35 3m71 h PRO 182 Ca 0.48 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 66.40 3m71 h PRO 182 Cb 0.88 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.85 3m71 h PRO 182 CO -0.23 0.34 -0.78 -0.39 -0.21 0.00 0.00 178.00 176.73 3m71 h VAL 183 N 0.53 1.46 0.09 3.15 -1.51 -1.66 -2.69 116.25 115.63 3m71 h VAL 183 Ca 0.32 -2.76 -0.00 0.00 -1.23 0.00 0.00 66.70 63.02 3m71 h VAL 183 Cb 0.33 2.53 0.00 0.00 -2.13 0.00 0.00 31.29 32.01 3m71 h VAL 183 CO -0.26 0.76 -0.04 0.25 -1.23 0.00 0.00 177.57 177.05 3m71 h LEU 184 N 0.00 -0.10 -0.85 4.19 5.85 -1.03 -1.78 115.31 121.60 3m71 h LEU 184 Ca -0.01 -0.12 -0.11 0.00 0.84 0.00 0.00 57.88 58.48 3m71 h LEU 184 Cb 1.46 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 3m71 h LEU 184 CO 0.10 0.06 -0.31 -0.07 -0.34 0.00 0.00 178.44 177.89 3m71 h LEU 185 N -0.26 0.51 -0.66 2.25 3.38 -1.21 -0.43 115.31 118.88 3m71 h LEU 185 Ca -0.01 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 3m71 h LEU 185 Cb 0.22 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3m71 h LEU 185 CO 0.02 0.79 0.31 -0.61 0.09 0.00 0.00 178.44 179.04 3m71 h GLN 186 N 0.43 0.95 -0.36 1.13 5.75 -1.48 -1.00 115.11 120.52 3m71 h GLN 186 Ca 0.05 -0.15 -0.00 0.00 -0.15 0.00 0.00 58.65 58.41 3m71 h GLN 186 Cb 0.75 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 29.12 3m71 h GLN 186 CO 0.06 0.77 0.22 1.25 -2.65 0.00 0.00 178.83 178.47 3m71 h HIS 187 N 0.91 0.47 -0.71 3.99 2.76 -0.80 -2.21 115.15 119.58 3m71 h HIS 187 Ca 0.23 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.36 3m71 h HIS 187 Cb 0.13 -0.16 -0.03 0.00 1.55 0.00 0.00 27.41 28.91 3m71 h HIS 187 CO 0.00 0.34 0.29 -0.07 -1.30 0.00 0.00 177.93 177.20 3m71 h LEU 188 N 0.47 0.95 -0.88 0.26 3.38 -0.85 0.12 115.31 118.75 3m71 h LEU 188 Ca 0.13 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3m71 h LEU 188 Cb 0.01 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 3m71 h LEU 188 CO -0.02 0.84 0.56 0.03 0.09 0.00 0.00 178.44 179.93 3m71 h ARG 189 N 1.02 1.18 0.08 1.13 3.08 -0.89 -2.36 114.38 117.61 3m71 h ARG 189 Ca 0.24 -0.09 -0.20 0.00 0.07 0.00 0.00 59.98 60.00 3m71 h ARG 189 Cb 0.18 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 3m71 h ARG 189 CO -0.02 0.80 -1.01 0.82 -1.07 0.00 0.00 179.97 179.49 3m71 h ILE 190 N 1.20 1.24 0.00 2.04 2.04 -0.98 -3.43 117.51 119.62 3m71 h ILE 190 Ca 0.32 -2.37 0.00 0.00 1.00 0.00 0.00 64.86 63.81 3m71 h ILE 190 Cb -0.09 2.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.83 3m71 h ILE 190 CO -0.06 0.62 -0.94 -1.20 0.00 0.00 0.00 178.15 176.56 3m71 n SER 191 N -4.18 4.10 0.00 1.72 7.64 0.33 -5.11 113.62 118.11 3m71 n SER 191 Ca -0.21 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.67 3m71 n SER 191 Cb 0.77 0.17 0.00 0.00 -1.01 0.00 0.00 64.21 64.14 3m71 n SER 191 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3m71 n SER 192 N -2.24 0.00 -4.00 6.43 2.88 -0.73 -4.83 113.62 111.13 3m71 n SER 192 Ca 0.00 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.36 3m71 n SER 192 Cb 0.47 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.78 3m71 n SER 192 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3m71 s LEU 193 N 0.00 1.95 0.67 2.46 1.43 -1.26 -4.75 118.68 119.17 3m71 s LEU 193 Ca 0.00 -0.15 -0.17 0.00 -1.03 0.00 0.00 54.13 52.78 3m71 s LEU 193 Cb 0.00 -0.43 0.00 0.00 0.03 0.00 0.00 46.19 45.79 3m71 s LEU 193 CO 0.00 0.09 1.26 -1.61 0.23 0.00 0.00 176.35 176.31 3m71 s GLU 194 N -0.08 2.48 0.33 1.70 2.02 -1.26 -4.72 118.70 119.18 3m71 s GLU 194 Ca 0.01 1.94 0.10 0.00 0.02 0.00 0.00 54.97 57.05 3m71 s GLU 194 Cb -0.04 -1.85 0.88 0.00 0.10 0.00 0.00 34.13 33.21 3m71 s GLU 194 CO -0.00 -1.62 1.75 -1.35 0.02 0.00 0.00 175.26 174.06 3m71 h PRO 195 N 0.34 0.59 0.00 0.39 0.11 -1.96 0.53 132.00 132.00 3m71 h PRO 195 Ca -0.50 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3m71 h PRO 195 Cb 1.32 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3m71 h PRO 195 CO 0.52 0.39 0.00 -0.56 -0.21 0.00 0.00 178.00 178.14 3m71 h GLN 196 N 0.60 0.00 -0.01 1.05 -0.00 -1.97 -1.78 115.11 113.00 3m71 h GLN 196 Ca 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.27 3m71 h GLN 196 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.65 3m71 h GLN 196 CO -0.42 0.00 -0.42 1.19 -0.00 0.00 0.00 178.83 179.19 3m71 n PHE 197 N -2.87 0.00 0.20 0.06 3.72 0.15 -4.71 117.46 114.01 3m71 n PHE 197 Ca -0.01 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.43 3m71 n PHE 197 Cb 0.16 0.00 0.42 0.00 -0.94 0.00 0.00 39.48 39.13 3m71 n PHE 197 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3m71 h ARG 198 N 1.61 0.00 -0.26 -1.08 3.08 -1.03 -1.83 114.38 114.87 3m71 h ARG 198 Ca 0.00 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.13 3m71 h ARG 198 Cb 0.55 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 3m71 h ARG 198 CO 0.00 0.30 0.22 0.00 -1.07 0.00 0.00 179.97 179.42 3m71 h ALA 199 N 1.70 2.10 0.00 0.04 0.00 -1.78 -0.34 119.26 120.98 3m71 h ALA 199 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3m71 h ALA 199 Cb 0.55 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3m71 h ALA 199 CO 0.04 -0.35 0.00 0.25 0.00 0.00 0.00 179.25 179.19 3m71 n THR 200 N -4.19 1.19 0.22 0.00 -2.24 -0.69 -1.44 114.28 107.13 3m71 n THR 200 Ca 0.03 0.32 0.18 0.00 -2.27 0.00 0.00 64.05 62.31 3m71 n THR 200 Cb 0.37 -1.16 0.85 0.00 -2.10 0.00 0.00 70.33 68.29 3m71 n THR 200 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 3m71 h MET 201 N 0.00 0.00 0.00 -0.78 2.07 -1.21 -0.25 114.93 114.76 3m71 h MET 201 Ca 0.00 0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 57.63 3m71 h MET 201 Cb 0.20 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 29.93 3m71 h MET 201 CO 0.00 0.00 -0.01 0.78 1.07 0.00 0.00 176.91 178.75 3m71 h GLY 202 N 0.00 0.00 2.00 8.32 0.00 -1.45 -0.76 103.07 111.18 3m71 h GLY 202 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.37 3m71 h GLY 202 CO -0.00 0.00 -0.19 -2.22 0.00 0.00 0.00 176.54 174.13 3m71 h ILE 203 N 0.00 0.57 0.00 2.60 2.04 -1.15 -2.32 117.51 119.26 3m71 h ILE 203 Ca -0.00 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 3m71 h ILE 203 Cb 0.04 1.61 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 3m71 h ILE 203 CO 0.00 0.19 -0.04 0.58 0.00 0.00 0.00 178.15 178.88 3m71 h VAL 204 N 0.00 0.41 0.00 1.67 2.07 -1.27 -1.09 116.25 118.04 3m71 h VAL 204 Ca -0.00 -0.22 -0.07 0.00 0.82 0.00 0.00 66.70 67.22 3m71 h VAL 204 Cb 0.59 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 3m71 h VAL 204 CO 0.03 0.04 -0.35 0.25 0.02 0.00 0.00 177.57 177.56 3m71 h LEU 205 N 0.00 0.00 -0.13 2.57 5.85 -1.55 -3.37 115.31 118.68 3m71 h LEU 205 Ca -0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 3m71 h LEU 205 Cb 0.15 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 3m71 h LEU 205 CO 0.01 0.35 -0.09 0.00 -0.34 0.00 0.00 178.44 178.37 3m71 h ALA 206 N 1.65 0.18 -0.30 1.25 0.00 -1.33 -3.39 119.26 117.32 3m71 h ALA 206 Ca -0.00 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 54.69 3m71 h ALA 206 Cb 0.70 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.37 3m71 h ALA 206 CO 0.05 0.01 -0.33 -1.35 0.00 0.00 0.00 179.25 177.62 3m71 h PRO 207 N -0.08 -0.30 -0.60 0.00 0.11 -1.73 0.14 132.00 129.53 3m71 h PRO 207 Ca 0.02 0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.08 3m71 h PRO 207 Cb 0.59 0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.74 3m71 h PRO 207 CO 0.02 -0.20 0.09 0.00 -0.21 0.00 0.00 178.00 177.71 3m71 h ALA 208 N 0.62 1.03 -0.09 -0.75 0.00 -1.88 0.80 119.26 118.99 3m71 h ALA 208 Ca 0.14 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 3m71 h ALA 208 Cb 0.54 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.11 3m71 h ALA 208 CO -0.47 0.62 -0.56 0.74 0.00 0.00 0.00 179.25 179.58 3m71 h PHE 209 N 0.92 0.73 -0.82 0.00 0.04 -1.61 -1.03 116.94 115.16 3m71 h PHE 209 Ca 0.19 -0.33 -0.04 0.00 2.80 0.00 0.00 57.97 60.59 3m71 h PHE 209 Cb 0.41 -0.11 -0.04 0.00 2.20 0.00 0.00 35.95 38.41 3m71 h PHE 209 CO 0.03 1.12 0.37 0.28 -0.60 0.00 0.00 178.31 179.51 3m71 h VAL 210 N 0.13 1.26 0.53 -0.55 2.07 -0.69 -0.95 116.25 118.05 3m71 h VAL 210 Ca -0.04 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 3m71 h VAL 210 Cb 1.21 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3m71 h VAL 210 CO 0.11 0.32 -0.29 0.00 0.02 0.00 0.00 177.57 177.74 3m71 h VAL 212 N -0.76 1.24 -0.22 0.00 3.04 -1.10 -0.13 116.25 118.32 3m71 h VAL 212 Ca -0.07 -1.04 0.01 0.00 -1.01 0.00 0.00 66.70 64.59 3m71 h VAL 212 Cb 0.60 1.09 -0.02 0.00 -2.01 0.00 0.00 31.29 30.96 3m71 h VAL 212 CO 0.09 0.35 0.12 -1.28 -1.01 0.00 0.00 177.57 175.83 3m71 h SER 213 N 0.54 0.19 -0.45 3.17 0.87 -1.09 -0.45 113.55 116.33 3m71 h SER 213 Ca 0.10 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.62 3m71 h SER 213 Cb 0.50 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.41 3m71 h SER 213 CO 0.03 0.14 0.13 0.00 -0.53 0.00 0.00 176.83 176.60 3m71 h ALA 214 N 1.10 0.59 -0.38 6.23 0.00 -0.84 -2.11 119.26 123.85 3m71 h ALA 214 Ca 0.08 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.87 3m71 h ALA 214 Cb 0.00 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 3m71 h ALA 214 CO -0.05 0.25 0.07 -0.92 0.00 0.00 0.00 179.25 178.61 3m71 h TYR 215 N 0.59 0.12 0.00 0.00 3.20 -0.78 -0.76 116.97 119.34 3m71 h TYR 215 Ca 0.14 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 3m71 h TYR 215 Cb 0.29 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 3m71 h TYR 215 CO 0.02 0.01 -0.18 -0.07 -1.64 0.00 0.00 178.16 176.30 3m71 h LEU 216 N 0.20 0.00 0.88 2.82 3.38 -0.99 -0.27 115.31 121.33 3m71 h LEU 216 Ca 0.18 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 3m71 h LEU 216 Cb 0.22 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.97 3m71 h LEU 216 CO -0.24 0.18 -0.42 -1.28 0.09 0.00 0.00 178.44 176.77 3m71 h SER 217 N 0.00 -1.00 0.42 -0.43 0.87 -0.65 0.14 113.55 112.90 3m71 h SER 217 Ca -0.00 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 3m71 h SER 217 Cb 0.49 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 3m71 h SER 217 CO 0.02 -0.65 0.00 0.16 -0.53 0.00 0.00 176.83 175.83 3m71 h ILE 218 N -1.30 0.00 -0.16 2.23 3.07 -0.66 -3.04 117.51 117.64 3m71 h ILE 218 Ca -0.12 -0.17 0.00 0.00 1.55 0.00 0.00 64.86 66.12 3m71 h ILE 218 Cb 0.91 0.94 0.00 0.00 -0.27 0.00 0.00 36.82 38.39 3m71 h ILE 218 CO 0.20 0.00 0.00 -0.46 -1.05 0.00 0.00 178.15 176.84 3m71 n ASN 219 N -2.59 3.05 -1.57 2.16 6.94 -0.16 -4.96 115.26 118.13 3m71 n ASN 219 Ca -0.00 -2.80 -0.14 0.00 -0.02 0.00 0.00 54.58 51.62 3m71 n ASN 219 Cb 0.15 -0.41 -0.01 0.00 -2.36 0.00 0.00 39.78 37.16 3m71 n ASN 219 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 3m71 n HIS 220 N -0.68 -0.62 -1.44 -2.53 8.25 -1.15 -3.27 115.22 113.78 3m71 n HIS 220 Ca 0.16 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.56 3m71 n HIS 220 Cb 0.68 -2.97 -0.02 0.00 1.12 0.00 0.00 29.99 28.80 3m71 n HIS 220 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3m71 n GLY 221 N -1.03 0.65 3.61 -1.41 0.00 0.49 -4.99 105.19 102.52 3m71 n GLY 221 Ca -0.17 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.70 3m71 n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3m71 s GLU 222 N -3.03 3.88 -0.84 1.61 2.12 -1.20 -4.83 118.70 116.41 3m71 s GLU 222 Ca 0.00 0.73 -0.21 0.00 0.36 0.00 0.00 54.97 55.85 3m71 s GLU 222 Cb 0.00 -3.81 0.09 0.00 0.26 0.00 0.00 34.13 30.67 3m71 s GLU 222 CO 0.00 -1.04 1.13 0.08 -0.54 0.00 0.00 175.26 174.89 3m71 s VAL 223 N 3.78 4.40 0.00 3.70 1.01 -1.26 -4.89 120.40 127.14 3m71 s VAL 223 Ca 0.43 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.50 3m71 s VAL 223 Cb -0.11 -4.80 0.00 0.00 0.00 0.00 0.00 36.38 31.47 3m71 s VAL 223 CO 0.21 -1.58 0.00 -0.90 0.00 0.00 0.00 175.10 172.83 3m71 n ASP 224 N 7.50 1.04 -0.13 3.32 5.68 -1.26 -4.92 116.55 127.77 3m71 n ASP 224 Ca 0.15 -0.94 -0.08 0.00 -0.50 0.00 0.00 54.79 53.41 3m71 n ASP 224 Cb 0.48 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 3m71 n ASP 224 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 3m71 h THR 225 N 0.49 1.13 -0.51 2.12 2.02 -2.00 -1.94 112.91 114.23 3m71 h THR 225 Ca 0.00 -0.29 0.05 0.00 0.77 0.00 0.00 66.41 66.94 3m71 h THR 225 Cb 0.00 0.58 -0.05 0.00 -1.74 0.00 0.00 68.15 66.94 3m71 h THR 225 CO 0.00 0.13 0.25 0.25 0.37 0.00 0.00 175.52 176.52 3m71 h LEU 226 N 0.54 0.34 -0.55 2.58 5.85 -1.97 -0.57 115.31 121.54 3m71 h LEU 226 Ca 0.15 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.91 3m71 h LEU 226 Cb -0.01 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3m71 h LEU 226 CO -0.03 0.23 0.36 0.00 -0.34 0.00 0.00 178.44 178.66 3m71 h ALA 227 N 1.29 0.69 -0.61 1.25 0.00 -1.81 -1.29 119.26 118.79 3m71 h ALA 227 Ca 0.23 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 3m71 h ALA 227 Cb 0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3m71 h ALA 227 CO -0.18 0.11 0.04 0.87 0.00 0.00 0.00 179.25 180.10 3m71 h LYS 228 N 0.72 1.03 -0.43 0.00 1.57 -0.98 -1.63 116.57 116.86 3m71 h LYS 228 Ca 0.20 -0.30 0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3m71 h LYS 228 Cb -0.06 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 3m71 h LYS 228 CO -0.05 0.99 0.23 0.82 -0.57 0.00 0.00 179.45 180.86 3m71 h ILE 229 N 0.95 1.01 -0.51 1.86 2.04 -0.73 -1.45 117.51 120.67 3m71 h ILE 229 Ca 0.18 -0.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.83 3m71 h ILE 229 Cb 0.50 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 3m71 h ILE 229 CO 0.02 0.09 0.14 -0.07 0.00 0.00 0.00 178.15 178.33 3m71 h LEU 230 N 0.47 0.77 -1.01 1.44 3.38 -1.06 -2.57 115.31 116.73 3m71 h LEU 230 Ca 0.18 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.94 3m71 h LEU 230 Cb 0.05 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 3m71 h LEU 230 CO -0.10 0.79 0.67 -0.50 0.09 0.00 0.00 178.44 179.38 3m71 h TRP 231 N 0.71 1.26 -0.32 1.13 4.06 -1.05 -0.45 115.95 121.29 3m71 h TRP 231 Ca 0.16 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 61.13 3m71 h TRP 231 Cb 0.31 -0.43 -0.01 0.00 -1.00 0.00 0.00 29.16 28.03 3m71 h TRP 231 CO 0.02 0.79 0.16 0.78 -3.56 0.00 0.00 178.44 176.63 3m71 h GLY 232 N 1.36 0.50 1.38 1.49 0.00 -0.89 -0.46 103.07 106.45 3m71 h GLY 232 Ca 0.37 -0.25 -0.07 0.00 0.00 0.00 0.00 47.33 47.38 3m71 h GLY 232 CO -0.08 0.23 -0.03 -1.82 0.00 0.00 0.00 176.54 174.84 3m71 h TYR 233 N 0.39 0.80 -0.67 5.60 3.20 -1.32 -1.94 116.97 123.03 3m71 h TYR 233 Ca 0.11 -0.12 0.05 0.00 3.14 0.00 0.00 58.73 61.91 3m71 h TYR 233 Cb 0.11 -0.22 -0.05 0.00 1.54 0.00 0.00 36.73 38.12 3m71 h TYR 233 CO -0.02 0.76 0.40 0.78 -1.64 0.00 0.00 178.16 178.44 3m71 h GLY 234 N 0.96 0.98 1.39 1.82 0.00 -0.60 -1.62 103.07 106.01 3m71 h GLY 234 Ca 0.13 -0.29 -0.13 0.00 0.00 0.00 0.00 47.33 47.04 3m71 h GLY 234 CO 0.02 0.21 -0.36 0.74 0.00 0.00 0.00 176.54 177.16 3m71 h PHE 235 N 0.75 0.80 -0.36 5.60 0.04 -0.89 -0.96 116.94 121.93 3m71 h PHE 235 Ca 0.29 -0.22 0.07 0.00 2.80 0.00 0.00 57.97 60.91 3m71 h PHE 235 Cb 0.11 -0.18 -0.06 0.00 2.20 0.00 0.00 35.95 38.02 3m71 h PHE 235 CO -0.06 0.94 -0.05 1.25 -0.60 0.00 0.00 178.31 179.79 3m71 h LEU 236 N 0.57 -0.24 -0.86 1.54 5.85 -0.92 -0.59 115.31 120.66 3m71 h LEU 236 Ca 0.06 0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 3m71 h LEU 236 Cb 0.87 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 3m71 h LEU 236 CO 0.08 -0.08 0.08 1.56 -0.34 0.00 0.00 178.44 179.73 3m71 h GLN 237 N 0.05 0.92 -0.11 1.25 1.08 -1.10 -1.35 115.11 115.85 3m71 h GLN 237 Ca 0.17 -0.23 0.02 0.00 -1.45 0.00 0.00 58.65 57.17 3m71 h GLN 237 Cb 0.26 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 3m71 h GLN 237 CO -0.33 0.87 -0.04 1.25 -0.95 0.00 0.00 178.83 179.63 3m71 h LEU 238 N 0.87 -0.13 -0.66 1.46 5.85 -0.71 -0.10 115.31 121.90 3m71 h LEU 238 Ca 0.18 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.94 3m71 h LEU 238 Cb 0.41 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 3m71 h LEU 238 CO 0.01 -0.05 0.43 -0.26 -0.34 0.00 0.00 178.44 178.23 3m71 h PHE 239 N -0.02 0.83 -0.51 1.25 0.04 -0.73 0.58 116.94 118.39 3m71 h PHE 239 Ca 0.06 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.86 3m71 h PHE 239 Cb 0.10 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 37.94 3m71 h PHE 239 CO -0.16 0.53 0.32 0.74 -0.60 0.00 0.00 178.31 179.13 3m71 h PHE 240 N 0.89 0.61 -0.09 -0.55 -1.00 -0.98 -1.78 116.94 114.03 3m71 h PHE 240 Ca 0.24 0.02 -0.12 0.00 2.81 0.00 0.00 57.97 60.91 3m71 h PHE 240 Cb -0.09 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.25 3m71 h PHE 240 CO -0.03 0.37 -0.49 -0.07 -1.61 0.00 0.00 178.31 176.48 3m71 h LEU 241 N 0.65 0.26 -0.46 1.54 3.38 -0.65 -1.14 115.31 118.89 3m71 h LEU 241 Ca 0.19 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3m71 h LEU 241 Cb -0.04 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3m71 h LEU 241 CO -0.06 0.71 0.23 -0.07 0.09 0.00 0.00 178.44 179.34 3m71 h LEU 242 N 0.19 0.60 -1.12 1.67 3.38 -0.69 -0.83 115.31 118.51 3m71 h LEU 242 Ca 0.01 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3m71 h LEU 242 Cb 0.94 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 3m71 h LEU 242 CO 0.08 0.55 0.18 -0.09 0.09 0.00 0.00 178.44 179.24 3m71 h ARG 243 N 0.61 0.80 0.00 1.13 1.12 -0.96 -2.31 114.38 114.78 3m71 h ARG 243 Ca 0.16 -0.14 0.00 0.00 -1.11 0.00 0.00 59.98 58.89 3m71 h ARG 243 Cb 0.10 -0.13 0.00 0.00 -0.01 0.00 0.00 29.97 29.92 3m71 h ARG 243 CO -0.02 0.69 0.00 1.28 -3.11 0.00 0.00 179.97 178.81 3m71 n LEU 244 N -4.31 0.00 -0.25 3.80 4.77 -0.46 -4.37 117.00 116.18 3m71 n LEU 244 Ca 0.04 0.41 -0.05 0.00 -0.03 0.00 0.00 56.01 56.38 3m71 n LEU 244 Cb 0.19 -0.41 0.05 0.00 -2.33 0.00 0.00 43.42 40.92 3m71 n LEU 244 CO 0.39 -0.05 1.15 0.15 -1.33 0.00 0.00 177.39 177.70 3m71 h PHE 245 N 0.00 0.88 -0.99 -1.77 3.57 -0.56 0.06 116.94 118.13 3m71 h PHE 245 Ca 0.00 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.59 3m71 h PHE 245 Cb 0.36 -0.29 -0.07 0.00 2.79 0.00 0.00 35.95 38.73 3m71 h PHE 245 CO 0.00 0.56 0.64 -1.35 -2.23 0.00 0.00 178.31 175.93 3m71 h PRO 246 N 0.93 1.10 -0.50 6.41 0.11 -1.80 -1.18 132.00 137.07 3m71 h PRO 246 Ca 0.25 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 66.23 3m71 h PRO 246 Cb -0.09 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 30.76 3m71 h PRO 246 CO -0.05 0.73 0.05 2.35 -0.21 0.00 0.00 178.00 180.87 3m71 h TRP 247 N 1.14 0.91 -0.88 0.65 7.01 -1.62 -1.49 115.95 121.66 3m71 h TRP 247 Ca 0.44 -0.14 0.10 0.00 2.11 0.00 0.00 58.89 61.40 3m71 h TRP 247 Cb 0.21 -0.25 -0.08 0.00 -2.10 0.00 0.00 29.16 26.94 3m71 h TRP 247 CO -0.01 0.84 0.52 0.82 -2.79 0.00 0.00 178.44 177.83 3m71 h ILE 248 N 0.72 0.91 -0.59 2.65 2.04 -0.14 -2.35 117.51 120.74 3m71 h ILE 248 Ca 0.15 -0.29 -0.17 0.00 1.00 0.00 0.00 64.86 65.55 3m71 h ILE 248 Cb 0.44 -0.02 -0.10 0.00 -0.74 0.00 0.00 36.82 36.40 3m71 h ILE 248 CO 0.02 0.16 0.17 1.33 0.00 0.00 0.00 178.15 179.82 3m71 n VAL 249 N -4.71 2.76 -0.30 1.67 0.24 -0.53 -4.46 118.33 113.01 3m71 n VAL 249 Ca 0.15 -1.84 0.13 0.00 -2.04 0.00 0.00 64.34 60.74 3m71 n VAL 249 Cb 0.30 -0.33 0.29 0.00 -1.47 0.00 0.00 33.84 32.63 3m71 n VAL 249 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3m71 h GLU 250 N 2.30 0.21 -0.65 7.34 4.81 -0.70 0.59 114.58 128.48 3m71 h GLU 250 Ca 0.20 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 3m71 h GLU 250 Cb 2.07 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 31.40 3m71 h GLU 250 CO 0.59 0.14 0.00 1.63 -0.73 0.00 0.00 179.01 180.63 3m71 n LYS 251 N -5.22 3.02 0.00 1.92 4.76 -1.26 -5.02 118.16 116.36 3m71 n LYS 251 Ca 0.21 -2.45 0.00 0.00 -2.87 0.00 0.00 58.31 53.20 3m71 n LYS 251 Cb 0.68 -1.69 0.00 0.00 -1.84 0.00 0.00 35.03 32.18 3m71 n LYS 251 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3m71 n GLY 252 N 1.27 3.17 3.77 0.72 0.00 0.20 -5.05 105.19 109.27 3m71 n GLY 252 Ca 0.22 -1.94 -0.40 0.00 0.00 0.00 0.00 46.02 43.90 3m71 n GLY 252 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m71 s LEU 253 N 0.00 4.37 0.19 0.99 1.43 -1.26 -4.76 118.68 119.64 3m71 s LEU 253 Ca 0.00 2.57 -0.16 0.00 -1.03 0.00 0.00 54.13 55.51 3m71 s LEU 253 Cb 0.00 -3.75 0.02 0.00 0.03 0.00 0.00 46.19 42.49 3m71 s LEU 253 CO 0.00 -0.56 0.49 0.54 0.23 0.00 0.00 176.35 177.05 3m71 s ASN 254 N -0.69 -0.21 0.63 2.29 2.20 -1.26 -5.04 114.94 112.86 3m71 s ASN 254 Ca 0.51 -0.55 0.37 0.00 -0.94 0.00 0.00 52.86 52.25 3m71 s ASN 254 Cb -0.37 0.56 2.11 0.00 -2.00 0.00 0.00 41.25 41.55 3m71 s ASN 254 CO 0.48 -1.03 2.31 -0.29 -2.94 0.00 0.00 177.10 175.64 3m71 h ILE 255 N 2.25 0.28 0.00 0.54 6.09 -1.96 -1.45 117.51 123.26 3m71 h ILE 255 Ca -0.29 -0.01 0.00 0.00 -1.37 0.00 0.00 64.86 63.19 3m71 h ILE 255 Cb 1.26 1.01 0.00 0.00 0.47 0.00 0.00 36.82 39.55 3m71 h ILE 255 CO 0.39 0.00 0.05 1.23 -3.07 0.00 0.00 178.15 176.75 3m71 h GLY 256 N 0.02 0.00 2.00 8.18 0.00 -1.96 -2.20 103.07 109.11 3m71 h GLY 256 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3m71 h GLY 256 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.95 3m71 h LEU 257 N 0.00 0.00 -1.96 3.11 3.38 -1.54 -0.61 115.31 117.68 3m71 h LEU 257 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3m71 h LEU 257 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3m71 h LEU 257 CO 0.00 0.00 0.31 -0.50 0.09 0.00 0.00 178.44 178.34 3m71 h TRP 258 N 0.00 0.00 -1.01 1.13 4.06 -1.65 -1.64 115.95 116.85 3m71 h TRP 258 Ca 0.00 0.00 0.25 0.00 2.06 0.00 0.00 58.89 61.20 3m71 h TRP 258 Cb 0.10 0.00 -0.09 0.00 -1.00 0.00 0.00 29.16 28.18 3m71 h TRP 258 CO 0.00 0.00 0.65 0.00 -3.56 0.00 0.00 178.44 175.53 3m71 h ALA 259 N 1.37 2.22 0.00 1.49 0.00 -1.37 -0.41 119.26 122.57 3m71 h ALA 259 Ca 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3m71 h ALA 259 Cb 0.62 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3m71 h ALA 259 CO 0.00 -0.59 -0.08 0.74 0.00 0.00 0.00 179.25 179.32 3m71 h PHE 260 N 0.41 0.00 0.00 0.00 0.04 -1.47 -3.33 116.94 112.58 3m71 h PHE 260 Ca 0.56 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 61.28 3m71 h PHE 260 Cb 1.41 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.55 3m71 h PHE 260 CO -0.00 0.08 -0.21 0.66 -0.60 0.00 0.00 178.31 178.23 3m71 h SER 261 N 0.00 0.00 0.23 2.17 4.64 -1.24 -1.53 113.55 117.82 3m71 h SER 261 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3m71 h SER 261 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3m71 h SER 261 CO 0.01 0.21 -0.11 0.15 -0.87 0.00 0.00 176.83 176.22 3m71 h PHE 262 N 0.00 -0.28 -0.73 4.77 3.04 -1.74 0.38 116.94 122.38 3m71 h PHE 262 Ca -0.00 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 3m71 h PHE 262 Cb 0.48 0.09 -0.03 0.00 2.56 0.00 0.00 35.95 39.05 3m71 h PHE 262 CO 0.00 0.08 0.40 0.78 -2.02 0.00 0.00 178.31 177.55 3m71 h GLY 263 N -0.70 1.09 0.94 2.40 0.00 -1.79 -1.50 103.07 103.52 3m71 h GLY 263 Ca -0.03 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 3m71 h GLY 263 CO 0.05 0.47 0.14 1.41 0.00 0.00 0.00 176.54 178.61 3m71 h LEU 264 N 1.01 0.33 -1.05 3.11 3.38 -1.19 0.64 115.31 121.54 3m71 h LEU 264 Ca 0.26 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 3m71 h LEU 264 Cb 0.03 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3m71 h LEU 264 CO -0.04 0.34 -0.08 0.00 0.09 0.00 0.00 178.44 178.75 3m71 h ALA 265 N 1.01 1.21 -0.00 1.53 0.00 -0.81 -1.42 119.26 120.78 3m71 h ALA 265 Ca 0.09 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.59 3m71 h ALA 265 Cb 0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3m71 h ALA 265 CO -0.01 0.51 -0.70 0.77 0.00 0.00 0.00 179.25 179.82 3m71 h SER 266 N 0.54 0.03 -0.50 0.00 0.02 -1.05 -0.19 113.55 112.41 3m71 h SER 266 Ca 0.10 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 3m71 h SER 266 Cb 0.47 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 3m71 h SER 266 CO 0.03 0.73 0.23 -0.03 -1.14 0.00 0.00 176.83 176.64 3m71 h MET 267 N 0.02 0.73 -0.62 3.45 -1.53 -0.52 -0.41 114.93 116.05 3m71 h MET 267 Ca -0.01 -0.12 -0.00 0.00 -3.44 0.00 0.00 59.70 56.13 3m71 h MET 267 Cb 1.24 -0.13 -0.03 0.00 -0.55 0.00 0.00 31.60 32.14 3m71 h MET 267 CO 0.09 0.63 0.39 0.00 0.14 0.00 0.00 176.91 178.16 3m71 h ALA 268 N 1.07 0.79 0.20 0.39 0.00 -0.90 -0.55 119.26 120.27 3m71 h ALA 268 Ca 0.17 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3m71 h ALA 268 Cb 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3m71 h ALA 268 CO -0.02 0.26 -0.10 -0.97 0.00 0.00 0.00 179.25 178.42 3m71 h ASN 269 N 0.85 -0.23 -0.46 0.00 -0.73 -0.82 -2.59 115.58 111.60 3m71 h ASN 269 Ca 0.23 -0.14 0.00 0.00 1.87 0.00 0.00 56.30 58.26 3m71 h ASN 269 Cb -0.05 0.06 -0.02 0.00 0.27 0.00 0.00 38.32 38.58 3m71 h ASN 269 CO -0.04 0.01 0.30 0.77 -0.37 0.00 0.00 177.43 178.09 3m71 h SER 270 N -0.46 0.55 -0.85 1.15 4.64 -1.02 -1.87 113.55 115.69 3m71 h SER 270 Ca -0.03 -0.02 0.10 0.00 -0.47 0.00 0.00 61.79 61.37 3m71 h SER 270 Cb 0.35 -0.14 -0.06 0.00 -0.31 0.00 0.00 62.40 62.24 3m71 h SER 270 CO 0.04 0.41 0.55 0.00 -0.87 0.00 0.00 176.83 176.97 3m71 h ALA 271 N 1.69 1.68 -0.64 5.18 0.00 -0.75 -1.07 119.26 125.35 3m71 h ALA 271 Ca 0.17 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3m71 h ALA 271 Cb -0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3m71 h ALA 271 CO -0.03 0.15 0.28 1.79 0.00 0.00 0.00 179.25 181.43 3m71 h THR 272 N 0.83 1.21 -0.17 0.00 1.35 -0.97 -0.45 112.91 114.72 3m71 h THR 272 Ca 0.39 -0.64 -0.22 0.00 -0.55 0.00 0.00 66.41 65.40 3m71 h THR 272 Cb 0.42 0.43 0.01 0.00 -1.73 0.00 0.00 68.15 67.27 3m71 h THR 272 CO -0.16 0.26 -0.75 0.00 -0.25 0.00 0.00 175.52 174.62 3m71 h ALA 273 N 1.40 0.32 -0.46 6.62 0.00 -1.21 -0.86 119.26 125.07 3m71 h ALA 273 Ca 0.22 -0.59 0.02 0.00 0.00 0.00 0.00 54.91 54.56 3m71 h ALA 273 Cb 0.13 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3m71 h ALA 273 CO -0.02 0.68 0.27 0.74 0.00 0.00 0.00 179.25 180.91 3m71 h PHE 274 N 0.55 0.49 -0.12 0.00 -1.00 -1.04 -0.94 116.94 114.88 3m71 h PHE 274 Ca -0.05 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.75 3m71 h PHE 274 Cb 1.38 -0.16 -0.01 0.00 3.61 0.00 0.00 35.95 40.78 3m71 h PHE 274 CO 0.09 0.28 0.08 -0.92 -1.61 0.00 0.00 178.31 176.22 3m71 h TYR 275 N 0.53 0.16 0.00 -0.55 3.20 -0.97 -1.17 116.97 118.17 3m71 h TYR 275 Ca 0.19 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.03 3m71 h TYR 275 Cb 0.03 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.24 3m71 h TYR 275 CO -0.07 0.13 -0.13 1.25 -1.64 0.00 0.00 178.16 177.69 3m71 h HIS 276 N 0.14 0.00 -0.03 -3.82 2.76 -0.97 -1.39 115.15 111.84 3m71 h HIS 276 Ca 0.04 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 3m71 h HIS 276 Cb 0.02 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.98 3m71 h HIS 276 CO -0.06 0.13 0.00 0.41 -1.30 0.00 0.00 177.93 177.11 3m71 n GLY 277 N -0.82 -0.25 3.71 5.26 0.00 -0.37 -4.95 105.19 107.77 3m71 n GLY 277 Ca -0.02 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 3m71 n GLY 277 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3m71 n ASN 278 N -0.13 -1.70 -4.10 1.61 5.15 -0.53 -4.99 115.26 110.57 3m71 n ASN 278 Ca 0.20 -0.80 -0.32 0.00 -0.60 0.00 0.00 54.58 53.06 3m71 n ASN 278 Cb 0.28 -4.10 -0.16 0.00 -0.53 0.00 0.00 39.78 35.27 3m71 n ASN 278 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3m71 s VAL 279 N -3.61 1.92 -1.27 3.44 1.01 -0.52 -4.80 120.40 116.57 3m71 s VAL 279 Ca 0.09 -0.86 -0.10 0.00 0.00 0.00 0.00 61.98 61.10 3m71 s VAL 279 Cb -0.04 -1.74 -0.00 0.00 0.00 0.00 0.00 36.38 34.59 3m71 s VAL 279 CO 0.81 0.52 0.61 0.18 0.00 0.00 0.00 175.10 177.22 3m71 n LEU 280 N 4.53 -2.52 -0.06 3.92 4.77 -1.26 -4.32 117.00 122.05 3m71 n LEU 280 Ca -0.20 -1.00 -0.00 0.00 -0.03 0.00 0.00 56.01 54.78 3m71 n LEU 280 Cb 0.50 -2.32 0.28 0.00 -2.33 0.00 0.00 43.42 39.55 3m71 n LEU 280 CO 0.25 0.46 1.01 1.56 -1.33 0.00 0.00 177.39 179.34 3m71 h GLN 281 N -1.89 0.67 -0.32 3.23 4.20 -1.87 -0.10 115.11 119.03 3m71 h GLN 281 Ca -0.65 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 57.91 3m71 h GLN 281 Cb 1.37 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 29.02 3m71 h GLN 281 CO 0.55 0.60 0.06 0.78 -0.67 0.00 0.00 178.83 180.15 3m71 h GLY 282 N 0.85 0.57 0.76 3.46 0.00 -2.00 -1.06 103.07 105.65 3m71 h GLY 282 Ca 0.15 -0.38 0.05 0.00 0.00 0.00 0.00 47.33 47.16 3m71 h GLY 282 CO -0.01 0.35 0.42 -2.08 0.00 0.00 0.00 176.54 175.23 3m71 h VAL 283 N 0.36 1.03 -0.75 4.60 2.07 -1.82 -2.04 116.25 119.69 3m71 h VAL 283 Ca 0.10 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 3m71 h VAL 283 Cb 0.34 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 3m71 h VAL 283 CO 0.01 0.15 0.33 0.77 0.02 0.00 0.00 177.57 178.84 3m71 h SER 284 N 0.80 1.01 -0.11 0.57 4.64 -0.64 0.38 113.55 120.20 3m71 h SER 284 Ca 0.31 -0.15 -0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3m71 h SER 284 Cb 0.12 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 3m71 h SER 284 CO -0.15 0.88 0.06 0.40 -0.87 0.00 0.00 176.83 177.15 3m71 h ILE 285 N 1.07 1.07 -0.29 0.95 2.04 -0.96 -0.56 117.51 120.83 3m71 h ILE 285 Ca 0.25 -0.19 0.05 0.00 1.00 0.00 0.00 64.86 65.98 3m71 h ILE 285 Cb 0.16 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.19 3m71 h ILE 285 CO -0.03 0.06 -0.03 0.15 0.00 0.00 0.00 178.15 178.31 3m71 h PHE 286 N 0.10 -0.07 -0.57 1.37 3.57 -1.07 -0.86 116.94 119.41 3m71 h PHE 286 Ca 0.04 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 3m71 h PHE 286 Cb 0.05 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 3m71 h PHE 286 CO -0.05 -0.08 0.35 0.00 -2.23 0.00 0.00 178.31 176.30 3m71 h ALA 287 N 1.27 0.72 -0.36 2.41 0.00 -0.72 0.19 119.26 122.76 3m71 h ALA 287 Ca 0.14 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3m71 h ALA 287 Cb 0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3m71 h ALA 287 CO -0.26 0.19 0.08 0.35 0.00 0.00 0.00 179.25 179.60 3m71 h PHE 288 N 0.76 0.62 -0.05 0.00 3.57 -0.76 -1.47 116.94 119.61 3m71 h PHE 288 Ca 0.20 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 3m71 h PHE 288 Cb -0.04 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.53 3m71 h PHE 288 CO -0.03 0.62 -0.01 0.28 -2.23 0.00 0.00 178.31 176.95 3m71 h VAL 289 N 0.43 1.28 -0.30 1.41 2.07 -0.94 -2.46 116.25 117.75 3m71 h VAL 289 Ca 0.11 -0.88 0.06 0.00 0.82 0.00 0.00 66.70 66.82 3m71 h VAL 289 Cb 0.33 1.77 -0.06 0.00 -1.52 0.00 0.00 31.29 31.80 3m71 h VAL 289 CO 0.00 0.24 -0.11 0.15 0.02 0.00 0.00 177.57 177.87 3m71 h PHE 290 N -0.24 -0.27 -0.67 1.57 3.57 -0.60 -0.54 116.94 119.77 3m71 h PHE 290 Ca 0.01 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.59 3m71 h PHE 290 Cb 0.39 0.16 -0.05 0.00 2.79 0.00 0.00 35.95 39.24 3m71 h PHE 290 CO 0.05 -0.18 0.39 0.77 -2.23 0.00 0.00 178.31 177.11 3m71 h SER 291 N -0.06 0.61 -0.55 0.41 0.02 -1.24 -1.37 113.55 111.37 3m71 h SER 291 Ca 0.15 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.06 3m71 h SER 291 Cb 0.29 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 3m71 h SER 291 CO -0.34 0.40 0.12 0.78 -1.14 0.00 0.00 176.83 176.66 3m71 h ASN 292 N 0.74 0.85 -0.63 3.07 2.35 -1.03 -0.71 115.58 120.22 3m71 h ASN 292 Ca 0.29 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3m71 h ASN 292 Cb 0.13 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 3m71 h ASN 292 CO -0.15 0.87 0.40 0.58 -1.65 0.00 0.00 177.43 177.48 3m71 h VAL 293 N 0.79 1.17 -0.14 2.81 2.07 -0.79 0.36 116.25 122.52 3m71 h VAL 293 Ca 0.17 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 3m71 h VAL 293 Cb 0.36 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3m71 h VAL 293 CO 0.00 0.17 0.00 0.24 0.02 0.00 0.00 177.57 178.01 3m71 h MET 294 N 0.85 0.25 -0.46 1.57 2.86 -1.04 -0.11 114.93 118.84 3m71 h MET 294 Ca 0.23 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.76 3m71 h MET 294 Cb -0.06 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 3m71 h MET 294 CO -0.05 0.47 0.14 0.82 1.06 0.00 0.00 176.91 179.35 3m71 h ILE 295 N -0.01 1.19 -0.64 -1.22 2.04 -1.07 -1.42 117.51 116.39 3m71 h ILE 295 Ca 0.04 -0.65 0.02 0.00 1.00 0.00 0.00 64.86 65.28 3m71 h ILE 295 Cb 0.36 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 3m71 h ILE 295 CO 0.01 0.24 0.40 1.23 0.00 0.00 0.00 178.15 180.03 3m71 h GLY 296 N 0.85 0.91 1.02 5.37 0.00 -0.53 0.05 103.07 110.74 3m71 h GLY 296 Ca 0.15 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 3m71 h GLY 296 CO -0.01 0.27 0.36 1.41 0.00 0.00 0.00 176.54 178.58 3m71 h LEU 297 N 0.80 1.00 -0.97 3.11 3.38 -0.59 -1.13 115.31 120.90 3m71 h LEU 297 Ca 0.25 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.12 3m71 h LEU 297 Cb -0.01 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.43 3m71 h LEU 297 CO -0.09 0.85 0.64 -0.07 0.09 0.00 0.00 178.44 179.86 3m71 h LEU 298 N 1.07 1.06 -0.29 1.67 3.38 -0.51 -0.49 115.31 121.21 3m71 h LEU 298 Ca 0.26 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 3m71 h LEU 298 Cb 0.12 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3m71 h LEU 298 CO -0.03 0.73 0.06 0.58 0.09 0.00 0.00 178.44 179.87 3m71 h VAL 299 N 1.23 1.22 -0.57 1.22 2.07 -0.52 -1.45 116.25 119.46 3m71 h VAL 299 Ca 0.39 -0.75 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 3m71 h VAL 299 Cb -0.01 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 3m71 h VAL 299 CO -0.12 0.25 0.22 -0.07 0.02 0.00 0.00 177.57 177.86 3m71 h LEU 300 N 0.30 0.80 -1.61 2.57 3.38 -0.84 -0.74 115.31 119.17 3m71 h LEU 300 Ca 0.09 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 3m71 h LEU 300 Cb 0.31 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3m71 h LEU 300 CO 0.00 0.77 -0.20 0.24 0.09 0.00 0.00 178.44 179.34 3m71 h MET 301 N 0.79 0.00 0.06 1.13 2.86 -0.99 -1.89 114.93 116.90 3m71 h MET 301 Ca 0.19 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.56 3m71 h MET 301 Cb 0.22 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.90 3m71 h MET 301 CO -0.01 0.20 -1.13 1.15 1.06 0.00 0.00 176.91 178.18 3m71 h THR 302 N 0.00 1.32 -0.50 2.22 2.02 -0.40 -1.39 112.91 116.18 3m71 h THR 302 Ca -0.00 -2.43 -0.01 0.00 0.77 0.00 0.00 66.41 64.74 3m71 h THR 302 Cb 0.37 2.55 -0.02 0.00 -1.74 0.00 0.00 68.15 69.31 3m71 h THR 302 CO 0.03 0.74 0.26 0.40 0.37 0.00 0.00 175.52 177.32 3m71 h ILE 303 N 0.30 1.18 -0.31 3.11 2.04 -1.07 -0.40 117.51 122.36 3m71 h ILE 303 Ca -0.15 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.23 3m71 h ILE 303 Cb 1.79 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 38.43 3m71 h ILE 303 CO 0.21 0.20 0.20 0.22 0.00 0.00 0.00 178.15 178.98 3m71 h TYR 304 N 0.67 0.40 -0.91 1.37 3.20 -1.21 0.02 116.97 120.49 3m71 h TYR 304 Ca 0.18 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.10 3m71 h TYR 304 Cb 0.08 -0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.16 3m71 h TYR 304 CO -0.01 0.27 0.58 0.87 -1.64 0.00 0.00 178.16 178.23 3m71 h LYS 305 N 0.41 1.05 -0.66 1.82 1.79 -1.01 -2.22 116.57 117.76 3m71 h LYS 305 Ca 0.11 -0.06 -0.07 0.00 -2.18 0.00 0.00 60.65 58.45 3m71 h LYS 305 Cb -0.02 -0.24 -0.03 0.00 -1.58 0.00 0.00 32.23 30.36 3m71 h LYS 305 CO -0.02 0.70 0.15 -0.07 -1.08 0.00 0.00 179.45 179.13 3m71 h LEU 306 N 1.09 1.01 -0.10 2.94 3.38 -0.70 0.39 115.31 123.32 3m71 h LEU 306 Ca 0.39 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3m71 h LEU 306 Cb 0.11 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3m71 h LEU 306 CO -0.15 0.99 0.00 0.35 0.09 0.00 0.00 178.44 179.71 3m71 n THR 307 N -4.28 0.65 1.00 0.22 -2.24 -0.04 -1.80 114.28 107.78 3m71 n THR 307 Ca 0.04 0.13 0.10 0.00 -2.27 0.00 0.00 64.05 62.05 3m71 n THR 307 Cb 0.26 -0.84 -0.12 0.00 -2.10 0.00 0.00 70.33 67.53 3m71 n THR 307 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3m71 n LYS 308 N -1.67 0.03 -2.50 -0.78 4.76 -0.88 -4.97 118.16 112.15 3m71 n LYS 308 Ca 0.05 -0.01 -0.05 0.00 -2.87 0.00 0.00 58.31 55.43 3m71 n LYS 308 Cb 0.25 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 31.95 3m71 n LYS 308 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3m71 n GLY 309 N 1.50 0.47 2.34 0.72 0.00 -0.62 -4.98 105.19 104.62 3m71 n GLY 309 Ca 0.04 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 45.23 3m71 n GLY 309 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3m71 n GLN 310 N -1.45 3.46 0.01 1.61 6.02 0.13 -4.80 117.38 122.35 3m71 n GLN 310 Ca -0.02 -4.34 -0.00 0.00 -0.01 0.00 0.00 57.00 52.63 3m71 n GLN 310 Cb 0.52 -2.26 -0.00 0.00 1.02 0.00 0.00 30.24 29.52 3m71 n GLN 310 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3m71 n PHE 311 N -0.57 0.00 -2.60 1.08 -0.00 -1.25 -4.71 117.46 109.40 3m71 n PHE 311 Ca 0.42 0.00 -0.38 0.00 -0.00 0.00 0.00 57.45 57.49 3m71 n PHE 311 Cb 0.75 -0.00 -0.05 0.00 -0.00 0.00 0.00 39.48 40.18 3m71 n PHE 311 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.76 176.70 3m71 s PHE 312 N -1.18 3.53 -1.91 -5.13 0.08 -1.26 -5.09 117.98 107.02 3m71 s PHE 312 Ca -0.00 1.72 0.00 0.00 0.12 0.00 0.00 56.93 58.77 3m71 s PHE 312 Cb 0.00 -3.10 0.00 0.00 -0.57 0.00 0.00 43.02 39.35 3m71 s PHE 312 CO 0.00 -0.28 0.48 1.28 -0.10 0.00 0.00 175.22 176.60