#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mg3 h ILE 5 N 0.00 0.68 0.00 1.09 1.08 -1.95 -2.50 117.51 115.90 3mg3 h ILE 5 Ca 0.00 -0.12 -0.07 0.00 -0.39 0.00 0.00 64.86 64.28 3mg3 h ILE 5 Cb 0.00 0.30 -0.01 0.00 -3.07 0.00 0.00 36.82 34.04 3mg3 h ILE 5 CO 0.00 0.06 -0.35 0.44 -0.69 0.00 0.00 178.15 177.61 3mg3 h ASP 6 N 0.35 0.00 0.40 1.72 3.32 -2.02 -2.55 116.42 117.64 3mg3 h ASP 6 Ca 0.34 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.21 3mg3 h ASP 6 Cb 0.49 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 3mg3 h ASP 6 CO -0.38 0.35 -0.75 0.77 -1.72 0.00 0.00 179.24 177.51 3mg3 h SER 7 N 0.00 0.35 0.11 6.45 4.64 -1.98 -2.80 113.55 120.32 3mg3 h SER 7 Ca -0.00 -0.24 -0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3mg3 h SER 7 Cb 0.63 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3mg3 h SER 7 CO 0.05 0.98 -0.00 0.00 -0.87 0.00 0.00 176.83 176.98 3mg3 h ALA 8 N 1.01 1.02 0.00 5.18 0.00 -1.02 -1.80 119.26 123.65 3mg3 h ALA 8 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3mg3 h ALA 8 Cb 1.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3mg3 h ALA 8 CO 0.12 0.00 0.11 0.00 0.00 0.00 0.00 179.25 179.48 3mg3 h ARG 9 N 0.00 0.00 -0.01 0.00 3.08 -1.41 -2.29 114.38 113.75 3mg3 h ARG 9 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3mg3 h ARG 9 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3mg3 h ARG 9 CO 0.00 0.00 -0.15 0.41 -1.07 0.00 0.00 179.97 179.16 3mg3 n GLY 10 N -1.23 -0.20 3.75 0.04 0.00 -0.68 -4.93 105.19 101.94 3mg3 n GLY 10 Ca -0.02 -0.46 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 3mg3 n GLY 10 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3mg3 s ILE 11 N -2.26 2.67 -1.43 -0.61 -4.36 -0.86 -2.59 121.20 111.76 3mg3 s ILE 11 Ca 0.30 0.37 -0.13 0.00 -0.26 0.00 0.00 60.65 60.93 3mg3 s ILE 11 Cb 0.20 -3.01 0.02 0.00 1.25 0.00 0.00 42.46 40.92 3mg3 s ILE 11 CO 0.43 -0.14 0.25 0.49 0.24 0.00 0.00 174.94 176.21 3mg3 n PHE 12 N -2.11 -1.29 0.29 1.37 3.72 -1.26 -4.72 117.46 113.46 3mg3 n PHE 12 Ca 0.13 0.40 0.18 0.00 -0.05 0.00 0.00 57.45 58.11 3mg3 n PHE 12 Cb 0.50 -2.77 1.00 0.00 -0.94 0.00 0.00 39.48 37.26 3mg3 n PHE 12 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3mg3 h PRO 13 N -2.11 0.00 -0.43 -1.08 0.13 -1.86 -0.71 132.00 125.94 3mg3 h PRO 13 Ca -0.68 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 3mg3 h PRO 13 Cb 1.40 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.53 3mg3 h PRO 13 CO 0.64 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.50 3mg3 n ASN 14 N -3.48 2.20 -4.74 1.44 3.02 -1.26 -4.88 115.26 107.56 3mg3 n ASN 14 Ca -0.02 -2.06 -0.42 0.00 -0.03 0.00 0.00 54.58 52.05 3mg3 n ASN 14 Cb 0.16 -0.30 -0.02 0.00 -0.61 0.00 0.00 39.78 39.01 3mg3 n ASN 14 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3mg3 s THR 15 N -1.55 2.63 -0.98 3.41 2.01 -0.28 -4.92 115.64 115.96 3mg3 s THR 15 Ca 0.25 0.51 -0.15 0.00 0.31 0.00 0.00 61.69 62.62 3mg3 s THR 15 Cb 0.14 -3.33 0.19 0.00 0.01 0.00 0.00 72.50 69.52 3mg3 s THR 15 CO 0.16 0.07 1.06 -0.76 -0.69 0.00 0.00 174.62 174.46 3mg3 s LEU 16 N -0.05 5.86 0.53 4.42 2.01 -1.26 -5.01 118.68 125.18 3mg3 s LEU 16 Ca 0.62 -2.70 -0.17 0.00 0.01 0.00 0.00 54.13 51.88 3mg3 s LEU 16 Cb -0.42 -2.30 -0.07 0.00 0.01 0.00 0.00 46.19 43.41 3mg3 s LEU 16 CO 0.41 -0.71 1.02 0.00 1.01 0.00 0.00 176.35 178.08 3mg3 s ALA 17 N 0.95 2.89 -1.46 4.21 0.00 -1.26 -0.66 121.76 126.43 3mg3 s ALA 17 Ca 0.29 0.38 -0.12 0.00 0.00 0.00 0.00 51.96 52.51 3mg3 s ALA 17 Cb -0.07 -3.20 0.04 0.00 0.00 0.00 0.00 23.12 19.89 3mg3 s ALA 17 CO -0.07 -0.44 2.34 0.00 0.00 0.00 0.00 175.76 177.59 3mg3 n ALA 18 N -1.53 6.03 1.25 0.00 0.00 0.28 -4.32 120.51 122.23 3mg3 n ALA 18 Ca 0.08 -3.88 0.11 0.00 0.00 0.00 0.00 53.44 49.74 3mg3 n ALA 18 Cb 0.53 -3.38 0.61 0.00 0.00 0.00 0.00 19.45 17.21 3mg3 n ALA 18 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3mg3 n ASP 19 N 4.98 0.00 0.27 0.00 5.75 -1.26 -1.14 116.55 125.15 3mg3 n ASP 19 Ca 0.56 -0.52 0.11 0.00 -0.01 0.00 0.00 54.79 54.94 3mg3 n ASP 19 Cb 0.34 -0.06 0.76 0.00 -1.03 0.00 0.00 41.12 41.13 3mg3 n ASP 19 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 3mg3 h VAL 20 N 0.00 0.78 0.52 2.12 3.04 -1.99 -2.13 116.25 118.60 3mg3 h VAL 20 Ca 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.66 3mg3 h VAL 20 Cb 0.04 0.99 0.01 0.00 -2.01 0.00 0.00 31.29 30.32 3mg3 h VAL 20 CO 0.00 0.00 -0.25 0.58 -1.01 0.00 0.00 177.57 176.89 3mg3 h VAL 21 N 0.00 0.45 0.00 1.51 2.07 -1.52 0.07 116.25 118.83 3mg3 h VAL 21 Ca 0.01 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 3mg3 h VAL 21 Cb 0.03 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 3mg3 h VAL 21 CO -0.00 0.03 -0.29 1.55 0.02 0.00 0.00 177.57 178.88 3mg3 h PRO 22 N -0.84 0.00 -0.24 1.57 0.13 -1.75 -0.99 132.00 129.88 3mg3 h PRO 22 Ca -0.07 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.06 3mg3 h PRO 22 Cb 0.59 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 3mg3 h PRO 22 CO 0.12 0.29 0.14 0.00 -0.23 0.00 0.00 178.00 178.32 3mg3 h ALA 23 N 1.71 0.30 -0.33 -0.56 0.00 -1.27 -0.46 119.26 118.64 3mg3 h ALA 23 Ca -0.00 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 3mg3 h ALA 23 Cb 0.57 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3mg3 h ALA 23 CO 0.04 -0.19 -0.35 1.15 0.00 0.00 0.00 179.25 179.89 3mg3 h THR 24 N 0.30 1.28 -0.40 0.00 2.02 -0.42 -1.87 112.91 113.82 3mg3 h THR 24 Ca 0.09 -1.51 -0.09 0.00 0.77 0.00 0.00 66.41 65.66 3mg3 h THR 24 Cb 0.02 1.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 3mg3 h THR 24 CO -0.02 0.49 -0.12 0.40 0.37 0.00 0.00 175.52 176.65 3mg3 h ILE 25 N 0.63 1.25 -0.74 3.11 1.08 -1.02 0.15 117.51 121.97 3mg3 h ILE 25 Ca 0.06 -1.15 -0.04 0.00 -0.39 0.00 0.00 64.86 63.34 3mg3 h ILE 25 Cb 0.89 1.08 -0.03 0.00 -3.07 0.00 0.00 36.82 35.69 3mg3 h ILE 25 CO 0.08 0.39 0.29 0.00 -0.69 0.00 0.00 178.15 178.22 3mg3 h ALA 26 N 1.22 1.11 -0.37 1.87 0.00 -0.65 0.31 119.26 122.75 3mg3 h ALA 26 Ca 0.11 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 3mg3 h ALA 26 Cb 0.58 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3mg3 h ALA 26 CO 0.04 0.63 -0.06 0.00 0.00 0.00 0.00 179.25 179.86 3mg3 h ARG 27 N 1.08 0.69 -0.67 0.00 3.08 -0.96 -3.01 114.38 114.59 3mg3 h ARG 27 Ca 0.25 -0.25 0.07 0.00 0.07 0.00 0.00 59.98 60.11 3mg3 h ARG 27 Cb 0.22 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.16 3mg3 h ARG 27 CO -0.02 0.83 0.35 0.35 -1.07 0.00 0.00 179.97 180.42 3mg3 h PHE 28 N 0.49 0.65 0.00 3.04 3.57 -0.62 -2.04 116.94 122.03 3mg3 h PHE 28 Ca 0.10 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.62 3mg3 h PHE 28 Cb 0.56 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.11 3mg3 h PHE 28 CO 0.05 0.28 0.00 0.77 -2.23 0.00 0.00 178.31 177.18 3mg3 h SER 29 N 0.64 0.00 1.50 0.41 0.02 -0.82 -1.24 113.55 114.06 3mg3 h SER 29 Ca 0.31 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.25 3mg3 h SER 29 Cb 0.24 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.78 3mg3 h SER 29 CO -0.21 0.00 -0.06 1.56 -1.14 0.00 0.00 176.83 176.98 3mg3 h GLN 30 N 0.00 0.00 -7.23 3.45 1.08 -1.24 -3.47 115.11 107.70 3mg3 h GLN 30 Ca 0.00 0.00 -0.51 0.00 -1.45 0.00 0.00 58.65 56.69 3mg3 h GLN 30 Cb 0.29 0.00 0.10 0.00 -0.05 0.00 0.00 27.48 27.83 3mg3 h GLN 30 CO 0.00 0.06 0.36 -0.51 -0.95 0.00 0.00 178.83 177.79 3mg3 s LEU 31 N -6.28 3.31 0.54 1.46 1.43 -0.47 -4.99 118.68 113.69 3mg3 s LEU 31 Ca 0.04 1.92 -0.22 0.00 -1.03 0.00 0.00 54.13 54.84 3mg3 s LEU 31 Cb 0.07 -4.54 -0.05 0.00 0.03 0.00 0.00 46.19 41.70 3mg3 s LEU 31 CO 0.63 -1.66 1.36 0.21 0.23 0.00 0.00 176.35 177.11 3mg3 s ASN 32 N -2.86 5.29 0.23 2.29 2.47 -1.26 -4.76 114.94 116.34 3mg3 s ASN 32 Ca 0.65 2.76 -0.08 0.00 0.42 0.00 0.00 52.86 56.62 3mg3 s ASN 32 Cb -0.19 -2.64 0.23 0.00 -1.45 0.00 0.00 41.25 37.21 3mg3 s ASN 32 CO 0.45 -1.56 1.89 0.00 -3.72 0.00 0.00 177.10 174.17 3mg3 h ALA 33 N 1.48 1.12 -0.43 1.71 0.00 -1.93 -0.21 119.26 121.01 3mg3 h ALA 33 Ca -0.51 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.28 3mg3 h ALA 33 Cb 1.30 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3mg3 h ALA 33 CO 0.57 0.47 -0.03 1.49 0.00 0.00 0.00 179.25 181.75 3mg3 h GLU 34 N 1.14 0.71 -0.36 0.00 4.57 -1.94 -1.05 114.58 117.66 3mg3 h GLU 34 Ca 0.33 -0.19 -0.12 0.00 -1.18 0.00 0.00 59.36 58.20 3mg3 h GLU 34 Cb -0.08 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.42 3mg3 h GLU 34 CO -0.09 0.74 -0.27 -0.44 -1.18 0.00 0.00 179.01 177.78 3mg3 h ASP 35 N 0.66 0.75 -0.10 1.04 3.32 -1.67 -0.55 116.42 119.87 3mg3 h ASP 35 Ca 0.13 -0.28 0.02 0.00 0.02 0.00 0.00 57.03 56.91 3mg3 h ASP 35 Cb 0.46 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 3mg3 h ASP 35 CO 0.02 0.98 -0.01 1.56 -1.72 0.00 0.00 179.24 180.07 3mg3 h GLN 36 N 0.63 0.02 -0.72 3.56 4.20 -0.52 -0.21 115.11 122.06 3mg3 h GLN 36 Ca 0.08 -0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.73 3mg3 h GLN 36 Cb 0.77 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.52 3mg3 h GLN 36 CO 0.06 0.01 0.21 -0.07 -0.67 0.00 0.00 178.83 178.38 3mg3 h LEU 37 N 0.02 1.07 -0.42 1.46 3.38 -1.07 -2.06 115.31 117.68 3mg3 h LEU 37 Ca 0.05 -0.22 -0.12 0.00 0.09 0.00 0.00 57.88 57.68 3mg3 h LEU 37 Cb 0.06 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3mg3 h LEU 37 CO -0.09 1.00 -0.19 0.00 0.09 0.00 0.00 178.44 179.25 3mg3 h ALA 38 N 1.11 0.59 -0.39 1.53 0.00 -0.92 -0.79 119.26 120.39 3mg3 h ALA 38 Ca 0.23 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.81 3mg3 h ALA 38 Cb 0.33 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3mg3 h ALA 38 CO -0.00 0.55 0.17 1.25 0.00 0.00 0.00 179.25 181.22 3mg3 h LEU 39 N 0.70 0.23 -0.59 0.00 6.46 -0.88 0.19 115.31 121.42 3mg3 h LEU 39 Ca 0.10 0.03 -0.13 0.00 -0.12 0.00 0.00 57.88 57.75 3mg3 h LEU 39 Cb 0.75 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.66 3mg3 h LEU 39 CO 0.06 0.17 -0.28 0.40 -0.62 0.00 0.00 178.44 178.18 3mg3 h ILE 40 N 0.36 1.28 -0.30 4.05 1.08 -1.23 0.20 117.51 122.94 3mg3 h ILE 40 Ca 0.17 -1.42 0.04 0.00 -0.39 0.00 0.00 64.86 63.26 3mg3 h ILE 40 Cb 0.11 1.27 -0.04 0.00 -3.07 0.00 0.00 36.82 35.09 3mg3 h ILE 40 CO -0.14 0.47 0.05 -0.25 -0.69 0.00 0.00 178.15 177.60 3mg3 h TRP 41 N 0.70 0.09 -0.29 1.37 2.91 -0.69 0.11 115.95 120.15 3mg3 h TRP 41 Ca 0.08 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.12 3mg3 h TRP 41 Cb 0.82 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.46 3mg3 h TRP 41 CO 0.05 0.02 0.19 0.74 -1.03 0.00 0.00 178.44 178.40 3mg3 h PHE 42 N 0.16 0.37 -0.71 2.65 0.04 -0.23 -0.75 116.94 118.47 3mg3 h PHE 42 Ca 0.14 0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.85 3mg3 h PHE 42 Cb 0.15 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.15 3mg3 h PHE 42 CO -0.18 0.25 0.18 0.00 -0.60 0.00 0.00 178.31 177.97 3mg3 h ALA 43 N 1.09 0.98 -0.28 2.45 0.00 -0.61 -1.90 119.26 120.99 3mg3 h ALA 43 Ca 0.11 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 3mg3 h ALA 43 Cb -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3mg3 h ALA 43 CO -0.02 0.66 -0.20 -0.92 0.00 0.00 0.00 179.25 178.77 3mg3 h TYR 44 N 1.07 0.75 -0.69 0.00 3.20 -0.58 0.88 116.97 121.60 3mg3 h TYR 44 Ca 0.22 -0.21 0.01 0.00 3.14 0.00 0.00 58.73 61.90 3mg3 h TYR 44 Cb 0.36 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.42 3mg3 h TYR 44 CO 0.03 0.91 0.45 -0.07 -1.64 0.00 0.00 178.16 177.84 3mg3 h LEU 45 N 0.38 0.77 -0.07 2.82 3.38 -1.05 -0.77 115.31 120.76 3mg3 h LEU 45 Ca 0.05 -0.02 -0.24 0.00 0.09 0.00 0.00 57.88 57.76 3mg3 h LEU 45 Cb 0.75 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.31 3mg3 h LEU 45 CO 0.05 0.56 -1.04 -0.33 0.09 0.00 0.00 178.44 177.77 3mg3 h GLU 46 N 0.92 0.40 -0.24 1.13 4.39 -1.16 -3.02 114.58 117.00 3mg3 h GLU 46 Ca 0.25 -0.49 -0.08 0.00 0.34 0.00 0.00 59.36 59.38 3mg3 h GLU 46 Cb -0.09 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 3mg3 h GLU 46 CO -0.06 1.16 -0.22 0.52 -1.16 0.00 0.00 179.01 179.25 3mg3 h MET 47 N 0.20 0.43 0.00 2.33 2.86 -0.75 -2.64 114.93 117.36 3mg3 h MET 47 Ca -0.10 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 3mg3 h MET 47 Cb 1.70 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 33.33 3mg3 h MET 47 CO 0.18 0.63 0.00 0.41 1.06 0.00 0.00 176.91 179.19 3mg3 n GLY 48 N -0.49 -0.92 0.23 8.32 0.00 -0.30 -1.33 105.19 110.70 3mg3 n GLY 48 Ca -0.00 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.12 3mg3 n GLY 48 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mg3 h LYS 49 N 0.00 0.00 0.00 1.61 1.57 -1.49 -3.36 116.57 114.90 3mg3 h LYS 49 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3mg3 h LYS 49 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3mg3 h LYS 49 CO 0.00 0.12 -0.28 0.25 -0.57 0.00 0.00 179.45 178.98 3mg3 n THR 50 N -3.21 0.00 -4.35 -0.16 -2.24 -0.81 -5.05 114.28 98.48 3mg3 n THR 50 Ca 0.01 -0.19 -0.26 0.00 -2.27 0.00 0.00 64.05 61.35 3mg3 n THR 50 Cb 0.44 0.72 -0.17 0.00 -2.10 0.00 0.00 70.33 69.22 3mg3 n THR 50 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3mg3 s LEU 51 N -1.59 1.51 -0.16 3.22 1.43 -0.44 -5.13 118.68 117.51 3mg3 s LEU 51 Ca 0.00 -0.31 -0.07 0.00 -1.03 0.00 0.00 54.13 52.72 3mg3 s LEU 51 Cb 0.00 -0.85 -0.04 0.00 0.03 0.00 0.00 46.19 45.33 3mg3 s LEU 51 CO 0.00 -0.02 0.09 -0.89 0.23 0.00 0.00 176.35 175.76 3mg3 s THR 52 N 1.03 5.06 0.08 5.49 2.01 -1.26 -4.09 115.64 123.95 3mg3 s THR 52 Ca -0.07 0.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.68 3mg3 s THR 52 Cb -0.15 -3.25 -0.05 0.00 0.01 0.00 0.00 72.50 69.07 3mg3 s THR 52 CO -0.01 0.52 0.98 -0.63 -0.69 0.00 0.00 174.62 174.79 3mg3 s ILE 53 N -0.16 4.59 0.58 1.82 1.01 -1.26 -4.77 121.20 123.01 3mg3 s ILE 53 Ca 0.09 2.04 -0.20 0.00 0.00 0.00 0.00 60.65 62.58 3mg3 s ILE 53 Cb -0.12 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.01 3mg3 s ILE 53 CO 0.01 0.26 1.29 0.00 0.00 0.00 0.00 174.94 176.50 3mg3 n ALA 54 N 3.16 1.29 -1.77 9.38 0.00 0.19 -4.95 120.51 127.81 3mg3 n ALA 54 Ca 0.04 0.08 -0.40 0.00 0.00 0.00 0.00 53.44 53.16 3mg3 n ALA 54 Cb 0.50 -2.32 -0.01 0.00 0.00 0.00 0.00 19.45 17.62 3mg3 n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mg3 s ALA 55 N -1.34 3.43 0.54 0.00 0.00 -1.26 -4.97 121.76 118.16 3mg3 s ALA 55 Ca 0.75 1.32 -0.22 0.00 0.00 0.00 0.00 51.96 53.81 3mg3 s ALA 55 Cb -0.41 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.15 3mg3 s ALA 55 CO 0.47 -0.80 1.34 -2.30 0.00 0.00 0.00 175.76 174.46 3mg3 n PRO 56 N 0.48 1.68 -1.32 0.00 -0.02 -1.26 -4.98 135.00 129.59 3mg3 n PRO 56 Ca 0.02 0.62 -0.32 0.00 -2.02 0.00 0.00 63.50 61.79 3mg3 n PRO 56 Cb 0.42 -2.54 0.10 0.00 -0.02 0.00 0.00 33.50 31.45 3mg3 n PRO 56 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3mg3 s GLY 57 N -0.89 1.99 0.23 -1.23 0.00 -1.26 -4.85 107.32 101.31 3mg3 s GLY 57 Ca 0.71 0.59 -0.06 0.00 0.00 0.00 0.00 44.72 45.95 3mg3 s GLY 57 CO 0.50 0.97 1.80 0.00 0.00 0.00 0.00 173.10 176.36 3mg3 h ALA 58 N -0.75 1.09 -0.54 3.20 0.00 -2.00 -1.82 119.26 118.44 3mg3 h ALA 58 Ca -0.45 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.22 3mg3 h ALA 58 Cb 1.26 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3mg3 h ALA 58 CO 0.49 0.65 0.16 0.00 0.00 0.00 0.00 179.25 180.55 3mg3 h ALA 59 N 1.21 0.71 -0.48 0.00 0.00 -1.99 -1.22 119.26 117.48 3mg3 h ALA 59 Ca 0.26 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.01 3mg3 h ALA 59 Cb 0.20 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3mg3 h ALA 59 CO -0.02 0.38 0.25 1.03 0.00 0.00 0.00 179.25 180.89 3mg3 h SER 60 N 0.75 0.37 -0.63 0.00 0.87 -1.86 -0.87 113.55 112.17 3mg3 h SER 60 Ca 0.17 0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.67 3mg3 h SER 60 Cb 0.30 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.19 3mg3 h SER 60 CO -0.00 0.26 0.07 0.24 -0.53 0.00 0.00 176.83 176.87 3mg3 h MET 61 N 0.50 1.08 -0.66 2.24 2.86 -0.86 -1.78 114.93 118.30 3mg3 h MET 61 Ca 0.21 -0.30 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 3mg3 h MET 61 Cb 0.10 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.61 3mg3 h MET 61 CO -0.14 1.01 0.30 0.37 1.06 0.00 0.00 176.91 179.51 3mg3 h GLN 62 N 1.00 0.95 -0.04 1.72 5.75 -0.74 -0.42 115.11 123.33 3mg3 h GLN 62 Ca 0.19 -0.13 -0.12 0.00 -0.15 0.00 0.00 58.65 58.44 3mg3 h GLN 62 Cb 0.47 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.83 3mg3 h GLN 62 CO 0.02 0.75 -0.54 -0.07 -2.65 0.00 0.00 178.83 176.33 3mg3 h LEU 63 N 0.94 0.11 -0.93 -2.39 3.38 -0.46 -2.78 115.31 113.19 3mg3 h LEU 63 Ca 0.23 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3mg3 h LEU 63 Cb 0.12 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3mg3 h LEU 63 CO -0.03 0.63 -0.19 0.00 0.09 0.00 0.00 178.44 178.94 3mg3 n ALA 64 N -2.45 2.95 -0.14 1.53 0.00 -0.74 -4.55 120.51 117.11 3mg3 n ALA 64 Ca -0.02 -0.50 -0.06 0.00 0.00 0.00 0.00 53.44 52.86 3mg3 n ALA 64 Cb 0.56 -1.03 0.03 0.00 0.00 0.00 0.00 19.45 19.01 3mg3 n ALA 64 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3mg3 h GLU 65 N 2.27 0.44 -0.85 0.00 4.57 -0.78 -1.40 114.58 118.83 3mg3 h GLU 65 Ca 0.00 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 3mg3 h GLU 65 Cb 0.63 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 29.08 3mg3 h GLU 65 CO 0.00 0.29 0.44 -0.91 -1.18 0.00 0.00 179.01 177.65 3mg3 h ASN 66 N 0.45 1.08 -0.45 1.04 2.35 -1.80 -0.36 115.58 117.90 3mg3 h ASN 66 Ca 0.19 -0.12 -0.14 0.00 -0.55 0.00 0.00 56.30 55.68 3mg3 h ASN 66 Cb 0.09 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 3mg3 h ASN 66 CO -0.13 0.89 -0.28 0.00 -1.65 0.00 0.00 177.43 176.26 3mg3 h ALA 67 N 1.24 0.63 -0.48 -0.83 0.00 -1.77 -2.50 119.26 115.55 3mg3 h ALA 67 Ca 0.30 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3mg3 h ALA 67 Cb 0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3mg3 h ALA 67 CO -0.04 0.67 0.32 1.25 0.00 0.00 0.00 179.25 181.44 3mg3 h LEU 68 N 0.82 0.55 -0.85 0.00 6.46 -0.86 -2.44 115.31 118.99 3mg3 h LEU 68 Ca 0.09 -0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.80 3mg3 h LEU 68 Cb 0.86 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.62 3mg3 h LEU 68 CO 0.08 0.40 0.40 0.11 -0.62 0.00 0.00 178.44 178.81 3mg3 h LYS 69 N 0.65 1.23 -0.25 1.25 1.57 -0.97 -0.44 116.57 119.61 3mg3 h LYS 69 Ca 0.18 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3mg3 h LYS 69 Cb -0.07 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.01 3mg3 h LYS 69 CO -0.04 0.95 0.16 1.49 -0.57 0.00 0.00 179.45 181.44 3mg3 h GLU 70 N 1.21 0.34 -0.52 3.15 4.81 -1.22 -0.63 114.58 121.72 3mg3 h GLU 70 Ca 0.29 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.45 3mg3 h GLU 70 Cb 0.13 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 3mg3 h GLU 70 CO -0.03 0.25 0.14 0.82 -0.73 0.00 0.00 179.01 179.45 3mg3 h ILE 71 N 0.33 1.24 0.00 2.32 2.04 -1.18 -2.74 117.51 119.52 3mg3 h ILE 71 Ca 0.09 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 3mg3 h ILE 71 Cb -0.01 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 3mg3 h ILE 71 CO -0.02 0.30 -0.07 1.56 0.00 0.00 0.00 178.15 179.93 3mg3 h GLN 72 N 0.72 0.00 0.00 2.37 4.20 -0.55 -1.93 115.11 119.91 3mg3 h GLN 72 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3mg3 h GLN 72 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 3mg3 h GLN 72 CO -0.00 0.07 -0.24 0.00 -0.67 0.00 0.00 178.83 177.99 3mg3 h ALA 73 N 1.93 0.87 -2.53 3.87 0.00 -0.83 -3.46 119.26 119.11 3mg3 h ALA 73 Ca -0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 3mg3 h ALA 73 Cb 0.19 0.00 0.08 0.00 0.00 0.00 0.00 17.79 18.06 3mg3 h ALA 73 CO 0.01 0.00 0.41 -1.64 0.00 0.00 0.00 179.25 178.03 3mg3 s MET 74 N -3.23 3.20 0.88 0.00 -1.94 -0.73 -5.03 119.30 112.46 3mg3 s MET 74 Ca 0.06 1.52 -0.11 0.00 -1.71 0.00 0.00 55.69 55.45 3mg3 s MET 74 Cb 0.07 -1.99 0.12 0.00 2.01 0.00 0.00 34.83 35.04 3mg3 s MET 74 CO 0.69 -0.95 1.10 0.20 -0.01 0.00 0.00 175.02 176.05 3mg3 s GLY 75 N -2.06 1.65 0.30 -0.03 0.00 -1.26 -4.70 107.32 101.20 3mg3 s GLY 75 Ca 0.70 0.18 0.01 0.00 0.00 0.00 0.00 44.72 45.62 3mg3 s GLY 75 CO 0.31 0.63 1.89 -0.56 0.00 0.00 0.00 173.10 175.37 3mg3 h PRO 76 N -1.57 0.98 -0.50 2.90 0.13 -1.96 -0.56 132.00 131.43 3mg3 h PRO 76 Ca -0.47 -0.06 -0.12 0.00 -0.87 0.00 0.00 66.00 64.48 3mg3 h PRO 76 Cb 1.27 -0.22 -0.02 0.00 0.13 0.00 0.00 31.00 32.16 3mg3 h PRO 76 CO 0.50 0.65 -0.15 -0.07 -0.23 0.00 0.00 178.00 178.70 3mg3 h LEU 77 N 1.01 0.98 -0.58 1.56 3.38 -2.00 -2.33 115.31 117.33 3mg3 h LEU 77 Ca 0.43 -0.34 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 3mg3 h LEU 77 Cb 0.31 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3mg3 h LEU 77 CO -0.18 1.11 -0.44 1.56 0.09 0.00 0.00 178.44 180.58 3mg3 h GLN 78 N 0.85 0.63 -0.58 1.13 7.50 -1.72 -1.61 115.11 121.32 3mg3 h GLN 78 Ca 0.13 -0.34 -0.01 0.00 0.50 0.00 0.00 58.65 58.93 3mg3 h GLN 78 Cb 0.71 0.02 -0.03 0.00 0.05 0.00 0.00 27.48 28.23 3mg3 h GLN 78 CO 0.05 0.95 0.33 1.96 -1.50 0.00 0.00 178.83 180.62 3mg3 h GLN 79 N 0.51 0.81 -0.68 1.46 4.20 -0.96 -0.72 115.11 119.72 3mg3 h GLN 79 Ca 0.04 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 3mg3 h GLN 79 Cb 0.97 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.56 3mg3 h GLN 79 CO 0.09 0.61 0.26 1.15 -0.67 0.00 0.00 178.83 180.26 3mg3 h THR 80 N 0.79 1.25 -0.86 -0.54 2.02 -1.24 -1.89 112.91 112.44 3mg3 h THR 80 Ca 0.21 -0.79 -0.02 0.00 0.77 0.00 0.00 66.41 66.57 3mg3 h THR 80 Cb 0.02 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 66.88 3mg3 h THR 80 CO -0.04 0.31 0.44 -0.61 0.37 0.00 0.00 175.52 176.00 3mg3 h GLN 81 N 0.98 1.22 -0.65 6.66 5.75 -0.91 -0.85 115.11 127.31 3mg3 h GLN 81 Ca 0.23 -0.16 -0.04 0.00 -0.15 0.00 0.00 58.65 58.52 3mg3 h GLN 81 Cb 0.24 -0.23 -0.03 0.00 1.07 0.00 0.00 27.48 28.53 3mg3 h GLN 81 CO -0.02 0.91 0.24 0.00 -2.65 0.00 0.00 178.83 177.31 3mg3 h ALA 82 N 1.27 0.85 -0.38 3.38 0.00 -0.71 0.50 119.26 124.17 3mg3 h ALA 82 Ca 0.30 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 3mg3 h ALA 82 Cb 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3mg3 h ALA 82 CO -0.04 0.49 -0.27 0.52 0.00 0.00 0.00 179.25 179.94 3mg3 h MET 83 N 0.92 0.79 -0.76 0.00 2.86 -1.02 -1.96 114.93 115.76 3mg3 h MET 83 Ca 0.21 -0.35 -0.04 0.00 -2.06 0.00 0.00 59.70 57.47 3mg3 h MET 83 Cb 0.24 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 3mg3 h MET 83 CO -0.01 0.97 0.32 0.00 1.06 0.00 0.00 176.91 179.25 3mg3 h ASP 85 N 1.10 0.86 -0.22 0.00 3.32 -0.44 0.11 116.42 121.14 3mg3 h ASP 85 Ca 0.26 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3mg3 h ASP 85 Cb 0.18 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3mg3 h ASP 85 CO -0.03 0.61 0.14 -0.07 -1.72 0.00 0.00 179.24 178.18 3mg3 h LEU 86 N 1.01 0.26 -0.99 1.55 3.38 -0.88 -1.46 115.31 118.19 3mg3 h LEU 86 Ca 0.29 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.14 3mg3 h LEU 86 Cb -0.07 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3mg3 h LEU 86 CO -0.08 0.22 -0.25 0.00 0.09 0.00 0.00 178.44 178.42 3mg3 h ALA 87 N 1.06 1.15 0.00 1.53 0.00 -0.71 -1.19 119.26 121.09 3mg3 h ALA 87 Ca 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3mg3 h ALA 87 Cb -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3mg3 h ALA 87 CO -0.02 0.54 0.00 0.09 0.00 0.00 0.00 179.25 179.86 3mg3 n ASN 88 N -4.13 0.00 -3.20 0.00 3.02 0.33 -4.88 115.26 106.40 3mg3 n ASN 88 Ca -0.00 0.16 -0.23 0.00 -0.03 0.00 0.00 54.58 54.47 3mg3 n ASN 88 Cb 0.40 -0.38 0.05 0.00 -0.61 0.00 0.00 39.78 39.23 3mg3 n ASN 88 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3mg3 n ARG 89 N -1.38 -5.78 -1.57 3.52 1.74 -0.68 -4.97 116.66 107.55 3mg3 n ARG 89 Ca 0.10 0.88 -0.32 0.00 -0.77 0.00 0.00 57.85 57.75 3mg3 n ARG 89 Cb 0.27 -5.80 0.06 0.00 -1.02 0.00 0.00 32.46 25.97 3mg3 n ARG 89 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3mg3 s ALA 90 N -3.22 2.45 -0.68 7.54 0.00 -0.64 -4.64 121.76 122.57 3mg3 s ALA 90 Ca 0.39 0.35 -0.21 0.00 0.00 0.00 0.00 51.96 52.49 3mg3 s ALA 90 Cb -0.17 -3.27 0.09 0.00 0.00 0.00 0.00 23.12 19.77 3mg3 s ALA 90 CO 0.48 -1.40 0.90 0.34 0.00 0.00 0.00 175.76 176.08 3mg3 s ASP 91 N -3.11 6.26 0.14 0.00 2.15 -1.26 -4.38 116.67 116.47 3mg3 s ASP 91 Ca 0.63 -1.34 0.01 0.00 0.43 0.00 0.00 52.55 52.27 3mg3 s ASP 91 Cb -0.18 -2.37 -0.04 0.00 -0.30 0.00 0.00 42.92 40.03 3mg3 s ASP 91 CO 0.49 -1.25 0.01 0.42 -0.17 0.00 0.00 175.17 174.66 3mg3 s THR 92 N 3.29 0.45 0.22 1.71 -4.23 -1.26 -5.03 115.64 110.80 3mg3 s THR 92 Ca 0.20 -1.94 -0.08 0.00 -1.18 0.00 0.00 61.69 58.70 3mg3 s THR 92 Cb -0.17 -1.99 0.17 0.00 1.34 0.00 0.00 72.50 71.84 3mg3 s THR 92 CO 0.05 -0.56 1.82 -0.65 -0.54 0.00 0.00 174.62 174.74 3mg3 h PRO 93 N 2.82 0.75 -0.48 3.99 0.11 -1.99 0.53 132.00 137.72 3mg3 h PRO 93 Ca -0.36 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 3mg3 h PRO 93 Cb 1.19 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 3mg3 h PRO 93 CO 0.62 0.50 0.24 1.25 -0.21 0.00 0.00 178.00 180.40 3mg3 h LEU 94 N 0.77 0.62 -1.09 2.35 5.85 -1.97 -0.17 115.31 121.68 3mg3 h LEU 94 Ca 0.33 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 3mg3 h LEU 94 Cb 0.20 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3mg3 h LEU 94 CO -0.19 0.56 0.16 0.00 -0.34 0.00 0.00 178.44 178.63 3mg3 h ARG 96 N 0.79 1.03 -0.09 0.00 3.08 -0.56 -1.19 114.38 117.44 3mg3 h ARG 96 Ca 0.18 -0.36 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 3mg3 h ARG 96 Cb 0.24 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 3mg3 h ARG 96 CO -0.01 1.05 0.03 1.15 -1.07 0.00 0.00 179.97 181.12 3mg3 h THR 97 N 0.92 1.15 -0.67 2.04 2.02 -0.59 -2.52 112.91 115.26 3mg3 h THR 97 Ca 0.15 -0.46 0.08 0.00 0.77 0.00 0.00 66.41 66.95 3mg3 h THR 97 Cb 0.62 1.29 -0.06 0.00 -1.74 0.00 0.00 68.15 68.26 3mg3 h THR 97 CO 0.04 0.13 0.33 0.22 0.37 0.00 0.00 175.52 176.62 3mg3 h TYR 98 N -0.02 0.60 0.00 3.16 3.20 -0.89 -0.92 116.97 122.10 3mg3 h TYR 98 Ca 0.03 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 3mg3 h TYR 98 Cb 0.18 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.28 3mg3 h TYR 98 CO -0.01 0.24 -0.04 0.00 -1.64 0.00 0.00 178.16 176.71 3mg3 h ALA 99 N 1.39 1.10 0.00 1.82 0.00 -1.02 -1.86 119.26 120.69 3mg3 h ALA 99 Ca 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3mg3 h ALA 99 Cb 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3mg3 h ALA 99 CO -0.24 0.04 0.00 -1.13 0.00 0.00 0.00 179.25 177.92 3mg3 n SER 100 N -3.27 0.49 -4.83 0.00 3.41 -0.35 -4.88 113.62 104.19 3mg3 n SER 100 Ca -0.02 0.56 -0.34 0.00 -0.26 0.00 0.00 58.87 58.81 3mg3 n SER 100 Cb 0.19 -0.69 -0.06 0.00 -0.26 0.00 0.00 64.21 63.39 3mg3 n SER 100 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 3mg3 s TRP 101 N -3.09 3.45 0.86 7.33 0.51 -0.70 -0.80 118.94 126.50 3mg3 s TRP 101 Ca 0.11 1.37 -0.11 0.00 -2.12 0.00 0.00 56.10 55.34 3mg3 s TRP 101 Cb 0.14 -2.64 0.11 0.00 -0.81 0.00 0.00 33.47 30.27 3mg3 s TRP 101 CO 0.53 0.13 1.10 -1.54 -0.51 0.00 0.00 176.95 176.65 3mg3 s SER 102 N -2.05 3.73 0.28 2.95 1.04 -0.29 -4.80 113.70 114.55 3mg3 s SER 102 Ca 0.52 1.72 0.00 0.00 0.48 0.00 0.00 55.95 58.68 3mg3 s SER 102 Cb -0.12 -2.37 0.52 0.00 0.10 0.00 0.00 66.02 64.14 3mg3 s SER 102 CO 0.18 -2.51 1.86 -0.65 0.98 0.00 0.00 173.24 173.10 3mg3 h PRO 103 N -1.46 1.01 -0.56 4.02 0.11 -1.92 -1.82 132.00 131.39 3mg3 h PRO 103 Ca -0.47 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.56 3mg3 h PRO 103 Cb 1.26 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 3mg3 h PRO 103 CO 0.51 0.67 0.25 -0.91 -0.21 0.00 0.00 178.00 178.32 3mg3 h ASN 104 N 1.05 0.72 -0.31 -2.05 2.35 -1.92 0.62 115.58 116.04 3mg3 h ASN 104 Ca 0.47 -0.08 -0.16 0.00 -0.55 0.00 0.00 56.30 55.98 3mg3 h ASN 104 Cb 0.38 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.56 3mg3 h ASN 104 CO -0.23 0.63 -0.44 0.40 -1.65 0.00 0.00 177.43 176.14 3mg3 h ILE 105 N 0.80 1.28 -0.49 2.81 2.04 -1.70 -0.93 117.51 121.32 3mg3 h ILE 105 Ca 0.20 -1.62 -0.01 0.00 1.00 0.00 0.00 64.86 64.43 3mg3 h ILE 105 Cb 0.11 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 3mg3 h ILE 105 CO -0.02 0.53 0.25 0.11 0.00 0.00 0.00 178.15 179.02 3mg3 h LYS 106 N 0.63 0.69 -0.89 2.37 1.57 -0.98 -0.89 116.57 119.07 3mg3 h LYS 106 Ca 0.03 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3mg3 h LYS 106 Cb 1.03 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 33.17 3mg3 h LYS 106 CO 0.10 0.56 0.52 -0.07 -0.57 0.00 0.00 179.45 179.99 3mg3 h LEU 107 N 0.64 1.08 -0.93 2.94 3.38 -0.78 -2.28 115.31 119.37 3mg3 h LEU 107 Ca 0.17 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 3mg3 h LEU 107 Cb 0.08 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3mg3 h LEU 107 CO -0.02 0.84 -0.45 1.23 0.09 0.00 0.00 178.44 180.13 3mg3 h GLY 108 N 1.23 0.20 0.81 0.83 0.00 -0.75 0.78 103.07 106.18 3mg3 h GLY 108 Ca 0.32 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 3mg3 h GLY 108 CO -0.06 0.18 -0.06 -2.75 0.00 0.00 0.00 176.54 173.85 3mg3 h PHE 109 N 0.16 -0.17 -0.07 5.60 3.57 -0.89 -2.15 116.94 122.98 3mg3 h PHE 109 Ca 0.01 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 3mg3 h PHE 109 Cb 0.86 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 3mg3 h PHE 109 CO 0.01 0.06 -0.33 -1.49 -2.23 0.00 0.00 178.31 174.33 3mg3 h TRP 110 N -0.37 0.16 -0.79 0.41 4.06 -1.19 -1.54 115.95 116.69 3mg3 h TRP 110 Ca -0.02 -0.03 0.01 0.00 2.06 0.00 0.00 58.89 60.91 3mg3 h TRP 110 Cb 0.30 -0.04 -0.04 0.00 -1.00 0.00 0.00 29.16 28.38 3mg3 h TRP 110 CO -0.01 0.46 0.52 -0.92 -3.56 0.00 0.00 178.44 174.93 3mg3 h TYR 111 N 0.12 1.00 -0.18 0.49 3.20 -0.65 0.51 116.97 121.46 3mg3 h TYR 111 Ca 0.02 0.02 -0.19 0.00 3.14 0.00 0.00 58.73 61.72 3mg3 h TYR 111 Cb 0.65 -0.34 0.01 0.00 1.54 0.00 0.00 36.73 38.59 3mg3 h TYR 111 CO 0.01 0.63 -0.62 0.00 -1.64 0.00 0.00 178.16 176.54 3mg3 h ARG 112 N 1.07 0.75 -0.37 1.82 2.47 -1.05 -2.12 114.38 116.95 3mg3 h ARG 112 Ca 0.29 -0.56 -0.03 0.00 -1.26 0.00 0.00 59.98 58.42 3mg3 h ARG 112 Cb -0.12 0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.28 3mg3 h ARG 112 CO -0.06 1.18 0.09 -0.07 0.56 0.00 0.00 179.97 181.67 3mg3 h LEU 113 N 0.46 0.50 -0.45 3.04 3.38 -1.05 -1.24 115.31 119.96 3mg3 h LEU 113 Ca -0.03 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3mg3 h LEU 113 Cb 1.25 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 3mg3 h LEU 113 CO 0.13 0.50 0.25 1.23 0.09 0.00 0.00 178.44 180.64 3mg3 h GLY 114 N 0.76 0.67 1.02 0.83 0.00 -0.65 0.15 103.07 105.85 3mg3 h GLY 114 Ca 0.13 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 3mg3 h GLY 114 CO -0.00 0.29 0.42 0.83 0.00 0.00 0.00 176.54 178.08 3mg3 h GLU 115 N 0.59 1.09 -0.15 4.80 5.08 -0.90 -1.42 114.58 123.68 3mg3 h GLU 115 Ca 0.16 -0.13 -0.15 0.00 -1.00 0.00 0.00 59.36 58.24 3mg3 h GLU 115 Cb 0.05 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 3mg3 h GLU 115 CO -0.03 0.82 -0.52 -0.07 -1.00 0.00 0.00 179.01 178.21 3mg3 h LEU 116 N 1.08 0.47 -0.46 1.33 3.38 -0.68 -1.94 115.31 118.49 3mg3 h LEU 116 Ca 0.27 -0.24 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 3mg3 h LEU 116 Cb 0.05 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3mg3 h LEU 116 CO -0.04 0.91 -0.28 0.24 0.09 0.00 0.00 178.44 179.36 3mg3 h MET 117 N 0.33 0.97 -0.86 1.13 2.86 -0.48 -0.19 114.93 118.70 3mg3 h MET 117 Ca 0.01 -0.45 0.07 0.00 -2.06 0.00 0.00 59.70 57.27 3mg3 h MET 117 Cb 1.03 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.62 3mg3 h MET 117 CO 0.09 1.12 0.56 0.93 1.06 0.00 0.00 176.91 180.67 3mg3 h GLU 118 N 0.82 0.92 0.00 1.72 5.08 -1.06 -1.49 114.58 120.58 3mg3 h GLU 118 Ca 0.09 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3mg3 h GLU 118 Cb 0.86 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.91 3mg3 h GLU 118 CO 0.08 0.61 -0.25 1.04 -1.00 0.00 0.00 179.01 179.48 3mg3 n GLN 119 N -4.49 0.17 -0.70 2.33 6.02 -0.75 -4.94 117.38 115.02 3mg3 n GLN 119 Ca 0.13 0.10 0.00 0.00 -0.01 0.00 0.00 57.00 57.22 3mg3 n GLN 119 Cb 0.22 -1.66 0.00 0.00 1.02 0.00 0.00 30.24 29.82 3mg3 n GLN 119 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3mg3 n GLY 120 N 1.39 0.64 0.03 1.08 0.00 -0.22 -4.95 105.19 103.16 3mg3 n GLY 120 Ca 0.05 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.16 3mg3 n GLY 120 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3mg3 n PHE 121 N -2.70 0.27 -4.42 1.61 3.72 -0.38 -4.79 117.46 110.76 3mg3 n PHE 121 Ca 0.00 0.08 -0.20 0.00 -0.05 0.00 0.00 57.45 57.28 3mg3 n PHE 121 Cb 0.00 -0.46 -0.14 0.00 -0.94 0.00 0.00 39.48 37.94 3mg3 n PHE 121 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3mg3 s VAL 122 N -3.09 0.99 -0.02 -4.37 1.01 -1.20 -4.98 120.40 108.75 3mg3 s VAL 122 Ca 0.08 -0.75 -0.34 0.00 0.00 0.00 0.00 61.98 60.98 3mg3 s VAL 122 Cb 0.15 -0.87 -0.12 0.00 0.00 0.00 0.00 36.38 35.54 3mg3 s VAL 122 CO 0.71 0.12 1.81 0.00 0.00 0.00 0.00 175.10 177.73 3mg3 n ALA 123 N 2.33 1.04 -1.94 5.51 0.00 -1.26 -4.32 120.51 121.87 3mg3 n ALA 123 Ca -0.16 0.32 -0.26 0.00 0.00 0.00 0.00 53.44 53.35 3mg3 n ALA 123 Cb 0.55 -2.47 0.08 0.00 0.00 0.00 0.00 19.45 17.62 3mg3 n ALA 123 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3mg3 s PRO 124 N 3.25 1.97 0.31 0.00 0.02 -1.26 -4.89 135.00 134.40 3mg3 s PRO 124 Ca 0.89 -0.39 -0.30 0.00 0.02 0.00 0.00 61.00 61.22 3mg3 s PRO 124 Cb -0.68 -2.16 -0.11 0.00 0.02 0.00 0.00 34.50 31.56 3mg3 s PRO 124 CO 0.48 -1.38 1.58 -0.89 -0.33 0.00 0.00 177.00 176.46 3mg3 n ILE 125 N -2.99 1.22 -1.64 2.83 2.08 -1.26 -4.88 119.36 114.72 3mg3 n ILE 125 Ca 0.10 -0.31 -0.42 0.00 0.56 0.00 0.00 62.75 62.68 3mg3 n ILE 125 Cb 0.60 -1.98 0.01 0.00 -0.75 0.00 0.00 39.64 37.52 3mg3 n ILE 125 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 3mg3 n PRO 126 N 1.81 1.59 -1.81 0.38 -0.02 -1.26 -4.86 135.00 130.83 3mg3 n PRO 126 Ca 0.07 0.56 -0.42 0.00 -2.02 0.00 0.00 63.50 61.70 3mg3 n PRO 126 Cb 0.37 -2.13 -0.02 0.00 -0.02 0.00 0.00 33.50 31.70 3mg3 n PRO 126 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mg3 s ALA 127 N -1.20 3.77 -0.08 3.55 0.00 -1.26 -2.22 121.76 124.32 3mg3 s ALA 127 Ca 0.61 1.53 0.00 0.00 0.00 0.00 0.00 51.96 54.10 3mg3 s ALA 127 Cb -0.57 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 18.91 3mg3 s ALA 127 CO 0.58 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.82 3mg3 n GLY 128 N 2.59 0.48 3.73 0.00 0.00 -1.26 -4.98 105.19 105.75 3mg3 n GLY 128 Ca 0.10 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 3mg3 n GLY 128 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3mg3 n TYR 129 N -2.89 2.64 -4.84 1.61 9.36 -0.94 -4.99 117.16 117.10 3mg3 n TYR 129 Ca -0.01 0.41 -0.33 0.00 3.32 0.00 0.00 57.90 61.29 3mg3 n TYR 129 Cb 0.07 -2.51 -0.14 0.00 -0.63 0.00 0.00 39.34 36.12 3mg3 n TYR 129 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 3mg3 s GLN 130 N -1.23 3.10 0.63 2.98 -1.52 -1.26 -5.09 119.66 117.27 3mg3 s GLN 130 Ca 0.60 -0.70 -0.16 0.00 -1.95 0.00 0.00 55.36 53.14 3mg3 s GLN 130 Cb -0.53 -2.53 -0.01 0.00 -0.22 0.00 0.00 33.01 29.71 3mg3 s GLN 130 CO 0.56 0.33 1.13 -0.51 -0.25 0.00 0.00 175.29 176.55 3mg3 s LEU 131 N 0.03 3.49 1.09 2.90 1.43 -1.26 -5.03 118.68 121.33 3mg3 s LEU 131 Ca -0.05 2.10 -0.12 0.00 -1.03 0.00 0.00 54.13 55.03 3mg3 s LEU 131 Cb -0.14 -4.57 0.24 0.00 0.03 0.00 0.00 46.19 41.75 3mg3 s LEU 131 CO 0.04 -1.58 1.06 -0.94 0.23 0.00 0.00 176.35 175.16 3mg3 s SER 132 N -2.26 1.66 0.13 2.29 1.04 -1.26 -4.70 113.70 110.59 3mg3 s SER 132 Ca 0.70 1.48 -0.24 0.00 0.48 0.00 0.00 55.95 58.36 3mg3 s SER 132 Cb -0.23 -2.20 -0.04 0.00 0.10 0.00 0.00 66.02 63.65 3mg3 s SER 132 CO 0.38 -3.77 1.65 0.00 0.98 0.00 0.00 173.24 172.47 3mg3 h ALA 133 N -2.33 -0.24 -0.64 5.32 0.00 -2.00 -0.76 119.26 118.61 3mg3 h ALA 133 Ca -0.58 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.31 3mg3 h ALA 133 Cb 1.32 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 19.48 3mg3 h ALA 133 CO 0.52 -0.70 0.24 -0.91 0.00 0.00 0.00 179.25 178.39 3mg3 h ASN 134 N -0.32 0.88 -0.36 0.00 4.21 -2.00 -2.90 115.58 115.08 3mg3 h ASN 134 Ca 0.07 -0.13 -0.15 0.00 1.21 0.00 0.00 56.30 57.30 3mg3 h ASN 134 Cb 0.42 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 37.39 3mg3 h ASN 134 CO -0.23 0.80 -0.36 0.00 -1.29 0.00 0.00 177.43 176.35 3mg3 h ALA 135 N 1.33 0.52 -0.78 -0.83 0.00 -1.78 -1.66 119.26 116.06 3mg3 h ALA 135 Ca 0.22 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 3mg3 h ALA 135 Cb 0.21 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3mg3 h ALA 135 CO -0.02 0.61 0.29 -0.91 0.00 0.00 0.00 179.25 179.22 3mg3 h ASN 136 N 0.68 1.10 -0.50 0.00 -0.26 -1.07 -0.74 115.58 114.78 3mg3 h ASN 136 Ca 0.06 -0.19 -0.04 0.00 -0.56 0.00 0.00 56.30 55.57 3mg3 h ASN 136 Cb 0.95 -0.29 -0.03 0.00 -1.06 0.00 0.00 38.32 37.90 3mg3 h ASN 136 CO 0.09 0.99 0.17 0.00 -1.06 0.00 0.00 177.43 177.62 3mg3 h ALA 137 N 1.16 1.27 -0.32 -0.83 0.00 -1.31 -0.73 119.26 118.50 3mg3 h ALA 137 Ca 0.26 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3mg3 h ALA 137 Cb 0.25 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3mg3 h ALA 137 CO -0.02 0.52 0.06 0.28 0.00 0.00 0.00 179.25 180.10 3mg3 h VAL 138 N 0.80 1.23 -0.66 0.00 2.07 -0.79 -1.13 116.25 117.77 3mg3 h VAL 138 Ca 0.18 -0.78 -0.07 0.00 0.82 0.00 0.00 66.70 66.86 3mg3 h VAL 138 Cb 0.23 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 3mg3 h VAL 138 CO -0.01 0.26 0.15 0.25 0.02 0.00 0.00 177.57 178.24 3mg3 h LEU 139 N 0.35 1.01 -0.62 2.57 5.85 -0.93 -1.68 115.31 121.87 3mg3 h LEU 139 Ca 0.10 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.63 3mg3 h LEU 139 Cb 0.32 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 3mg3 h LEU 139 CO 0.00 0.99 0.34 0.00 -0.34 0.00 0.00 178.44 179.43 3mg3 h ALA 140 N 1.06 0.81 -0.38 1.25 0.00 -0.95 -0.07 119.26 120.98 3mg3 h ALA 140 Ca 0.21 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.18 3mg3 h ALA 140 Cb 0.38 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3mg3 h ALA 140 CO 0.00 0.01 0.14 1.15 0.00 0.00 0.00 179.25 180.55 3mg3 h THR 141 N 0.63 0.89 -0.36 0.00 2.02 -0.67 -2.45 112.91 112.97 3mg3 h THR 141 Ca 0.27 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.35 3mg3 h THR 141 Cb 0.16 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 3mg3 h THR 141 CO -0.17 0.05 0.20 0.40 0.37 0.00 0.00 175.52 176.37 3mg3 h ILE 142 N 0.29 1.14 0.00 3.11 2.04 -0.80 -1.98 117.51 121.31 3mg3 h ILE 142 Ca 0.18 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.69 3mg3 h ILE 142 Cb 0.15 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 3mg3 h ILE 142 CO -0.18 0.14 0.00 1.56 0.00 0.00 0.00 178.15 179.67 3mg3 h GLN 143 N 0.46 0.00 0.00 2.37 4.20 -0.75 -1.80 115.11 119.58 3mg3 h GLN 143 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 3mg3 h GLN 143 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 3mg3 h GLN 143 CO -0.02 0.00 -0.16 0.41 -0.67 0.00 0.00 178.83 178.39 3mg3 n GLY 144 N -0.33 -1.47 3.87 3.46 0.00 -0.76 -4.94 105.19 105.02 3mg3 n GLY 144 Ca -0.00 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 3mg3 n GLY 144 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mg3 s LEU 145 N -3.34 3.38 0.73 0.99 1.43 -0.68 -5.05 118.68 116.14 3mg3 s LEU 145 Ca 0.12 1.37 -0.16 0.00 -1.03 0.00 0.00 54.13 54.44 3mg3 s LEU 145 Cb 0.17 -4.38 0.01 0.00 0.03 0.00 0.00 46.19 42.02 3mg3 s LEU 145 CO 0.59 -0.76 0.98 -0.62 0.23 0.00 0.00 176.35 176.78 3mg3 n GLU 146 N -2.41 0.49 -0.19 1.70 -0.58 -1.26 -4.73 120.64 113.66 3mg3 n GLU 146 Ca 0.05 0.22 0.06 0.00 -0.42 0.00 0.00 57.16 57.07 3mg3 n GLU 146 Cb 0.54 -2.24 0.33 0.00 -0.57 0.00 0.00 31.44 29.50 3mg3 n GLU 146 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 3mg3 h SER 147 N -0.30 0.71 -0.03 1.62 0.02 -1.96 -0.38 113.55 113.23 3mg3 h SER 147 Ca -0.47 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.40 3mg3 h SER 147 Cb 1.33 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 3mg3 h SER 147 CO 0.47 0.46 -0.20 1.23 -1.14 0.00 0.00 176.83 177.65 3mg3 h GLY 148 N 0.81 0.43 1.45 -3.77 0.00 -1.91 -1.94 103.07 98.14 3mg3 h GLY 148 Ca 0.31 -0.32 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 3mg3 h GLY 148 CO -0.10 0.29 -0.72 1.46 0.00 0.00 0.00 176.54 177.47 3mg3 h GLN 149 N 0.36 0.54 -0.06 4.80 4.20 -1.55 -2.88 115.11 120.52 3mg3 h GLN 149 Ca 0.06 -0.43 0.00 0.00 0.06 0.00 0.00 58.65 58.35 3mg3 h GLN 149 Cb 0.56 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 3mg3 h GLN 149 CO 0.04 1.05 0.03 1.96 -0.67 0.00 0.00 178.83 181.24 3mg3 h GLN 150 N 0.38 0.06 0.00 1.46 4.20 -0.71 -1.05 115.11 119.45 3mg3 h GLN 150 Ca -0.03 -0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 3mg3 h GLN 150 Cb 1.31 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.07 3mg3 h GLN 150 CO 0.13 0.04 -0.21 -0.84 -0.67 0.00 0.00 178.83 177.29 3mg3 h ILE 151 N 0.07 0.66 -0.16 2.54 3.07 -1.42 -1.83 117.51 120.43 3mg3 h ILE 151 Ca 0.03 -0.92 -0.21 0.00 1.55 0.00 0.00 64.86 65.31 3mg3 h ILE 151 Cb 0.01 1.59 0.00 0.00 -0.27 0.00 0.00 36.82 38.15 3mg3 h ILE 151 CO -0.02 0.20 -0.73 0.74 -1.05 0.00 0.00 178.15 177.30 3mg3 h THR 152 N 0.00 1.30 -0.23 0.16 2.02 -1.21 -0.17 112.91 114.77 3mg3 h THR 152 Ca -0.00 -1.97 0.02 0.00 0.77 0.00 0.00 66.41 65.23 3mg3 h THR 152 Cb 0.57 1.95 -0.02 0.00 -1.74 0.00 0.00 68.15 68.91 3mg3 h THR 152 CO 0.03 0.62 0.11 0.58 0.37 0.00 0.00 175.52 177.22 3mg3 h VAL 153 N 0.50 0.99 -0.60 3.16 2.07 -0.81 -0.89 116.25 120.66 3mg3 h VAL 153 Ca -0.04 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3mg3 h VAL 153 Cb 1.34 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 3mg3 h VAL 153 CO 0.15 0.04 0.32 -0.07 0.02 0.00 0.00 177.57 178.03 3mg3 h LEU 154 N 0.23 0.76 -0.30 2.57 3.38 -1.21 -0.91 115.31 119.83 3mg3 h LEU 154 Ca 0.10 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3mg3 h LEU 154 Cb 0.03 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 3mg3 h LEU 154 CO -0.07 0.65 0.05 0.25 0.09 0.00 0.00 178.44 179.40 3mg3 h LEU 155 N 0.82 -0.01 -0.71 1.67 5.85 -0.80 -1.36 115.31 120.76 3mg3 h LEU 155 Ca 0.21 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.89 3mg3 h LEU 155 Cb 0.06 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3mg3 h LEU 155 CO -0.03 0.03 -0.01 0.78 -0.34 0.00 0.00 178.44 178.87 3mg3 h ASN 156 N 0.15 0.96 -0.80 1.25 2.35 -0.81 -0.34 115.58 118.34 3mg3 h ASN 156 Ca 0.14 -0.27 0.03 0.00 -0.55 0.00 0.00 56.30 55.65 3mg3 h ASN 156 Cb 0.16 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.23 3mg3 h ASN 156 CO -0.20 1.02 0.52 0.00 -1.65 0.00 0.00 177.43 177.12 3mg3 h ALA 157 N 1.08 1.04 -0.19 -0.83 0.00 -0.81 -1.28 119.26 118.26 3mg3 h ALA 157 Ca 0.16 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3mg3 h ALA 157 Cb 0.54 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3mg3 h ALA 157 CO 0.03 0.35 -0.06 0.28 0.00 0.00 0.00 179.25 179.85 3mg3 h VAL 158 N 1.02 1.29 -0.36 0.00 2.07 -0.90 -3.13 116.25 116.23 3mg3 h VAL 158 Ca 0.31 -1.06 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 3mg3 h VAL 158 Cb -0.02 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 3mg3 h VAL 158 CO -0.10 0.32 0.04 0.58 0.02 0.00 0.00 177.57 178.42 3mg3 h VAL 159 N 0.08 1.19 0.00 2.57 2.07 -0.84 -2.69 116.25 118.63 3mg3 h VAL 159 Ca 0.05 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.83 3mg3 h VAL 159 Cb 0.51 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 3mg3 h VAL 159 CO 0.02 0.26 0.00 0.47 0.02 0.00 0.00 177.57 178.34 3mg3 n ASP 160 N -4.30 0.00 -4.82 0.57 8.00 -0.50 -4.83 116.55 110.66 3mg3 n ASP 160 Ca 0.02 0.30 -0.29 0.00 0.71 0.00 0.00 54.79 55.53 3mg3 n ASP 160 Cb 0.23 -0.42 0.11 0.00 -0.02 0.00 0.00 41.12 41.01 3mg3 n ASP 160 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3mg3 s MET 161 N -2.84 1.73 0.28 -1.24 -1.94 -1.02 -4.89 119.30 109.39 3mg3 s MET 161 Ca 0.14 0.37 0.00 0.00 -1.71 0.00 0.00 55.69 54.49 3mg3 s MET 161 Cb 0.14 -1.90 0.00 0.00 2.01 0.00 0.00 34.83 35.08 3mg3 s MET 161 CO 0.37 -1.81 0.00 0.41 -0.01 0.00 0.00 175.02 173.99 3mg3 n GLY 162 N -2.47 -2.50 2.77 -0.03 0.00 -0.50 -4.70 105.19 97.77 3mg3 n GLY 162 Ca 0.07 -1.79 -0.23 0.00 0.00 0.00 0.00 46.02 44.07 3mg3 n GLY 162 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3mg3 s PHE 163 N -0.41 0.67 0.18 1.61 5.36 -0.75 -4.27 117.98 120.37 3mg3 s PHE 163 Ca 0.00 -0.18 -0.05 0.00 -0.96 0.00 0.00 56.93 55.74 3mg3 s PHE 163 Cb 0.00 -0.80 -0.06 0.00 -0.34 0.00 0.00 43.02 41.82 3mg3 s PHE 163 CO 0.00 -0.33 0.42 0.99 -1.46 0.00 0.00 175.22 174.84 3mg3 s THR 164 N 1.97 5.12 0.17 0.12 2.01 -1.26 -4.01 115.64 119.77 3mg3 s THR 164 Ca 0.05 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.09 3mg3 s THR 164 Cb -0.12 -3.65 0.00 0.00 0.01 0.00 0.00 72.50 68.74 3mg3 s THR 164 CO -0.05 -0.04 0.00 2.29 -0.69 0.00 0.00 174.62 176.13 3mg3 n LYS 170 N -0.14 -1.99 -3.92 4.92 2.85 -1.26 -5.16 118.16 113.46 3mg3 n LYS 170 Ca -0.02 1.45 -0.26 0.00 -1.05 0.00 0.00 58.31 58.43 3mg3 n LYS 170 Cb 0.52 -1.92 -0.17 0.00 -0.65 0.00 0.00 35.03 32.81 3mg3 n LYS 170 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 3mg3 s ARG 171 N -2.06 1.32 -0.18 -1.58 3.00 -1.26 -4.63 118.95 113.55 3mg3 s ARG 171 Ca 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 55.73 55.51 3mg3 s ARG 171 Cb 0.00 -1.43 -0.02 0.00 0.00 0.00 0.00 34.95 33.50 3mg3 s ARG 171 CO 0.00 -0.25 -0.04 0.42 0.00 0.00 0.00 175.30 175.43 3mg3 s ILE 172 N 1.69 3.65 0.16 1.52 1.01 0.02 -5.03 121.20 124.21 3mg3 s ILE 172 Ca 0.04 -0.42 -0.01 0.00 0.00 0.00 0.00 60.65 60.25 3mg3 s ILE 172 Cb -0.13 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 3mg3 s ILE 172 CO -0.07 0.46 0.08 0.00 0.00 0.00 0.00 174.94 175.41 3mg3 s ALA 173 N 0.86 0.99 0.69 9.38 0.00 -1.26 -1.14 121.76 131.28 3mg3 s ALA 173 Ca -0.01 -1.56 -0.14 0.00 0.00 0.00 0.00 51.96 50.25 3mg3 s ALA 173 Cb -0.15 1.07 0.02 0.00 0.00 0.00 0.00 23.12 24.06 3mg3 s ALA 173 CO 0.01 -0.53 1.12 -1.21 0.00 0.00 0.00 175.76 175.16 3mg3 s GLU 174 N -4.09 2.58 0.65 0.00 2.02 -1.26 -5.00 118.70 113.61 3mg3 s GLU 174 Ca 0.30 1.39 -0.18 0.00 0.02 0.00 0.00 54.97 56.50 3mg3 s GLU 174 Cb 0.07 -1.92 -0.01 0.00 0.10 0.00 0.00 34.13 32.37 3mg3 s GLU 174 CO 0.06 -1.42 1.23 -2.30 0.02 0.00 0.00 175.26 172.85 3mg3 n PRO 175 N -2.70 1.02 -2.48 0.39 -0.02 -1.26 -4.92 135.00 125.03 3mg3 n PRO 175 Ca 0.10 0.41 -0.42 0.00 -2.02 0.00 0.00 63.50 61.57 3mg3 n PRO 175 Cb 0.52 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.50 3mg3 n PRO 175 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3mg3 s VAL 176 N -1.45 4.03 0.43 -1.45 1.01 -1.26 -5.03 120.40 116.69 3mg3 s VAL 176 Ca 0.81 1.57 -0.21 0.00 0.00 0.00 0.00 61.98 64.15 3mg3 s VAL 176 Cb -0.38 -4.00 -0.10 0.00 0.00 0.00 0.00 36.38 31.90 3mg3 s VAL 176 CO 0.42 0.18 0.98 0.68 0.00 0.00 0.00 175.10 177.36 3mg3 s VAL 177 N 0.53 4.19 0.43 2.92 -7.23 -1.26 -5.03 120.40 114.95 3mg3 s VAL 177 Ca 0.54 1.42 -0.23 0.00 -1.81 0.00 0.00 61.98 61.90 3mg3 s VAL 177 Cb -0.29 -3.60 -0.08 0.00 0.56 0.00 0.00 36.38 32.97 3mg3 s VAL 177 CO 0.32 -0.25 1.08 -2.84 -0.31 0.00 0.00 175.10 173.10 3mg3 s PRO 178 N -3.06 3.98 0.65 4.82 0.02 -1.26 -4.97 135.00 135.17 3mg3 s PRO 178 Ca 0.62 1.56 -0.18 0.00 0.02 0.00 0.00 61.00 63.02 3mg3 s PRO 178 Cb -0.12 -2.42 -0.01 0.00 0.02 0.00 0.00 34.50 31.96 3mg3 s PRO 178 CO 0.16 -0.31 1.23 -2.30 -0.33 0.00 0.00 177.00 175.45 3mg3 n PRO 179 N -0.35 1.05 -1.74 5.54 -0.02 -1.26 -4.89 135.00 133.33 3mg3 n PRO 179 Ca 0.06 0.41 -0.42 0.00 -2.02 0.00 0.00 63.50 61.54 3mg3 n PRO 179 Cb 0.50 -2.47 -0.01 0.00 -0.02 0.00 0.00 33.50 31.50 3mg3 n PRO 179 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3mg3 n GLN 180 N -1.79 2.56 -1.73 -0.52 7.27 -0.27 -4.91 117.38 118.00 3mg3 n GLN 180 Ca 0.16 0.91 -0.42 0.00 0.07 0.00 0.00 57.00 57.71 3mg3 n GLN 180 Cb 0.48 -2.65 -0.01 0.00 2.41 0.00 0.00 30.24 30.47 3mg3 n GLN 180 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 3mg3 n ASP 181 N 1.78 3.18 0.01 1.69 5.75 -1.26 -4.88 116.55 122.83 3mg3 n ASP 181 Ca 0.08 1.21 0.02 0.00 -0.01 0.00 0.00 54.79 56.08 3mg3 n ASP 181 Cb 0.36 -1.53 0.38 0.00 -1.03 0.00 0.00 41.12 39.29 3mg3 n ASP 181 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 3mg3 h THR 182 N 2.77 1.14 0.00 2.12 2.02 -1.99 -1.29 112.91 117.69 3mg3 h THR 182 Ca -0.48 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 66.23 3mg3 h THR 182 Cb 1.26 0.74 -0.00 0.00 -1.74 0.00 0.00 68.15 68.41 3mg3 h THR 182 CO 0.65 0.18 -0.07 0.00 0.37 0.00 0.00 175.52 176.65 3mg3 h ALA 183 N 1.65 1.12 0.00 6.16 0.00 -2.03 -2.85 119.26 123.30 3mg3 h ALA 183 Ca 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3mg3 h ALA 183 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3mg3 h ALA 183 CO -0.01 0.09 -0.69 0.45 0.00 0.00 0.00 179.25 179.08 3mg3 n SER 184 N -3.34 0.63 -4.77 0.00 2.88 -0.49 -4.97 113.62 103.56 3mg3 n SER 184 Ca -0.01 -0.36 -0.38 0.00 -1.33 0.00 0.00 58.87 56.79 3mg3 n SER 184 Cb 0.24 0.48 -0.02 0.00 -0.75 0.00 0.00 64.21 64.16 3mg3 n SER 184 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3mg3 s ARG 185 N -3.04 4.08 0.31 -1.46 0.52 -1.08 -5.03 118.95 113.25 3mg3 s ARG 185 Ca 0.09 1.75 0.07 0.00 -0.52 0.00 0.00 55.73 57.12 3mg3 s ARG 185 Cb 0.16 -2.64 -0.02 0.00 0.52 0.00 0.00 34.95 32.97 3mg3 s ARG 185 CO 0.75 -0.27 0.38 0.95 0.02 0.00 0.00 175.30 177.12 3mg3 s THR 186 N -1.47 4.22 -0.04 0.02 -4.23 -1.26 -5.10 115.64 107.78 3mg3 s THR 186 Ca 0.57 -1.13 0.07 0.00 -1.18 0.00 0.00 61.69 60.02 3mg3 s THR 186 Cb -0.28 -3.44 -0.01 0.00 1.34 0.00 0.00 72.50 70.10 3mg3 s THR 186 CO 0.36 -0.22 -0.25 -0.54 -0.54 0.00 0.00 174.62 173.43 3mg3 s LYS 187 N -4.06 2.36 0.69 3.99 1.02 -1.26 -4.93 119.74 117.55 3mg3 s LYS 187 Ca 0.40 -0.91 -0.11 0.00 0.02 0.00 0.00 55.97 55.37 3mg3 s LYS 187 Cb -0.08 -2.11 0.00 0.00 -0.52 0.00 0.00 37.83 35.12 3mg3 s LYS 187 CO 0.29 0.46 1.06 0.14 -0.92 0.00 0.00 175.35 176.38 3mg3 s VAL 188 N -0.36 4.09 -0.05 3.17 -7.23 -1.26 -5.08 120.40 113.68 3mg3 s VAL 188 Ca 0.03 0.68 0.03 0.00 -1.81 0.00 0.00 61.98 60.90 3mg3 s VAL 188 Cb -0.12 -3.48 0.01 0.00 0.56 0.00 0.00 36.38 33.35 3mg3 s VAL 188 CO 0.02 -0.89 -0.12 -0.55 -0.31 0.00 0.00 175.10 173.25 3mg3 s SER 189 N -3.90 1.62 -0.11 4.85 0.15 -1.26 -5.08 113.70 109.98 3mg3 s SER 189 Ca 0.58 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.97 3mg3 s SER 189 Cb -0.13 -0.62 0.02 0.00 -1.71 0.00 0.00 66.02 63.58 3mg3 s SER 189 CO 0.55 0.06 -0.10 -0.63 1.20 0.00 0.00 173.24 174.31 3mg3 s ILE 190 N 0.45 1.18 0.19 6.45 1.01 -1.26 -4.64 121.20 124.57 3mg3 s ILE 190 Ca -0.09 -0.42 -0.32 0.00 0.00 0.00 0.00 60.65 59.82 3mg3 s ILE 190 Cb -0.13 -1.14 -0.12 0.00 0.01 0.00 0.00 42.46 41.08 3mg3 s ILE 190 CO 0.02 0.39 1.74 -0.62 0.00 0.00 0.00 174.94 176.47 3mg3 n GLU 191 N 4.59 2.76 0.00 2.79 1.02 -0.25 -1.97 120.64 129.59 3mg3 n GLU 191 Ca -0.16 1.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.98 3mg3 n GLU 191 Cb 0.50 -2.85 0.00 0.00 -0.02 0.00 0.00 31.44 29.07 3mg3 n GLU 191 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mg3 n GLY 192 N 4.00 2.07 2.93 0.62 0.00 -1.26 -1.37 105.19 112.18 3mg3 n GLY 192 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 3mg3 n GLY 192 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mg3 s VAL 193 N -2.42 1.34 -0.92 1.61 1.01 -0.83 -4.84 120.40 115.36 3mg3 s VAL 193 Ca 0.00 -0.87 0.08 0.00 0.00 0.00 0.00 61.98 61.19 3mg3 s VAL 193 Cb 0.00 -1.52 0.14 0.00 0.00 0.00 0.00 36.38 35.00 3mg3 s VAL 193 CO 0.00 0.08 0.95 0.35 0.00 0.00 0.00 175.10 176.48 3mg3 n THR 194 N 4.78 0.43 -1.68 3.92 -2.24 -1.26 -4.39 114.28 113.83 3mg3 n THR 194 Ca -0.13 -0.72 -0.53 0.00 -2.27 0.00 0.00 64.05 60.41 3mg3 n THR 194 Cb 0.47 0.89 -0.06 0.00 -2.10 0.00 0.00 70.33 69.52 3mg3 n THR 194 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3mg3 n ASN 195 N 0.39 2.68 0.00 3.42 2.85 -1.26 -4.85 115.26 118.49 3mg3 n ASN 195 Ca 0.07 1.05 -0.01 0.00 -0.11 0.00 0.00 54.58 55.57 3mg3 n ASN 195 Cb 0.29 -1.24 0.27 0.00 1.24 0.00 0.00 39.78 40.33 3mg3 n ASN 195 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3mg3 h ALA 196 N 7.40 1.29 -0.29 5.20 0.00 -1.98 -1.44 119.26 129.43 3mg3 h ALA 196 Ca -0.47 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.14 3mg3 h ALA 196 Cb 1.30 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3mg3 h ALA 196 CO 0.93 0.48 -0.03 1.15 0.00 0.00 0.00 179.25 181.78 3mg3 h THR 197 N 0.48 1.27 -0.40 0.00 2.02 -1.88 0.45 112.91 114.85 3mg3 h THR 197 Ca 0.09 -1.01 -0.02 0.00 0.77 0.00 0.00 66.41 66.24 3mg3 h THR 197 Cb 0.44 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 3mg3 h THR 197 CO 0.02 0.32 0.16 0.58 0.37 0.00 0.00 175.52 176.97 3mg3 h VAL 198 N 0.32 1.19 -0.62 3.16 2.07 -1.86 0.16 116.25 120.68 3mg3 h VAL 198 Ca 0.08 -0.60 -0.09 0.00 0.82 0.00 0.00 66.70 66.91 3mg3 h VAL 198 Cb 0.48 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3mg3 h VAL 198 CO 0.02 0.22 0.02 -0.07 0.02 0.00 0.00 177.57 177.78 3mg3 h LEU 199 N 0.49 1.05 -0.88 2.57 3.38 -1.18 -1.90 115.31 118.84 3mg3 h LEU 199 Ca 0.13 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.70 3mg3 h LEU 199 Cb 0.19 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3mg3 h LEU 199 CO -0.01 1.09 -0.29 0.78 0.09 0.00 0.00 178.44 180.10 3mg3 h ASN 200 N 0.98 0.50 0.13 -0.43 2.35 -0.67 -0.85 115.58 117.60 3mg3 h ASN 200 Ca 0.18 -0.18 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3mg3 h ASN 200 Cb 0.54 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.77 3mg3 h ASN 200 CO 0.03 0.77 -0.07 0.22 -1.65 0.00 0.00 177.43 176.73 3mg3 h TYR 201 N 0.43 -0.18 -0.37 1.19 3.20 -0.23 -0.21 116.97 120.80 3mg3 h TYR 201 Ca 0.06 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.88 3mg3 h TYR 201 Cb 0.72 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.04 3mg3 h TYR 201 CO 0.02 -0.11 0.05 0.52 -1.64 0.00 0.00 178.16 177.00 3mg3 h MET 202 N -0.19 0.63 -0.26 1.82 2.86 -1.11 -1.64 114.93 117.04 3mg3 h MET 202 Ca -0.01 -0.18 -0.16 0.00 -2.06 0.00 0.00 59.70 57.29 3mg3 h MET 202 Cb 0.15 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 3mg3 h MET 202 CO 0.02 0.70 -0.49 -0.44 1.06 0.00 0.00 176.91 177.76 3mg3 h ASP 203 N 0.47 0.78 0.42 1.22 3.32 -1.10 -1.31 116.42 120.22 3mg3 h ASP 203 Ca 0.11 -0.39 -0.15 0.00 0.02 0.00 0.00 57.03 56.62 3mg3 h ASP 203 Cb 0.39 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3mg3 h ASP 203 CO 0.01 1.14 -0.65 0.78 -1.72 0.00 0.00 179.24 178.80 3mg3 h ASN 204 N 0.56 0.24 -0.43 6.45 2.35 -0.95 -2.49 115.58 121.32 3mg3 h ASN 204 Ca 0.03 -0.15 -0.12 0.00 -0.55 0.00 0.00 56.30 55.51 3mg3 h ASN 204 Cb 1.05 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.34 3mg3 h ASN 204 CO 0.10 0.82 -0.20 0.25 -1.65 0.00 0.00 177.43 176.76 3mg3 h LEU 205 N 0.15 0.92 -2.36 1.61 5.85 -1.09 -0.58 115.31 119.82 3mg3 h LEU 205 Ca -0.01 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 3mg3 h LEU 205 Cb 1.17 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.95 3mg3 h LEU 205 CO 0.10 1.12 -0.03 0.78 -0.34 0.00 0.00 178.44 180.06 3mg3 h ASN 206 N 0.72 0.00 -0.31 1.25 2.35 -1.15 -1.47 115.58 116.97 3mg3 h ASN 206 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3mg3 h ASN 206 Cb 0.77 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.14 3mg3 h ASN 206 CO 0.06 0.03 0.00 0.00 -1.65 0.00 0.00 177.43 175.87 3mg3 n ALA 207 N -2.17 2.45 -2.46 -0.83 0.00 -0.95 -4.92 120.51 111.63 3mg3 n ALA 207 Ca -0.02 -0.84 -0.16 0.00 0.00 0.00 0.00 53.44 52.42 3mg3 n ALA 207 Cb 0.16 -0.94 -0.01 0.00 0.00 0.00 0.00 19.45 18.66 3mg3 n ALA 207 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3mg3 n ASN 208 N 1.12 -4.81 -4.19 0.00 3.02 -0.55 -1.11 115.26 108.74 3mg3 n ASN 208 Ca 0.18 0.08 -0.44 0.00 -0.03 0.00 0.00 54.58 54.38 3mg3 n ASN 208 Cb 0.52 -4.04 0.00 0.00 -0.61 0.00 0.00 39.78 35.65 3mg3 n ASN 208 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3mg3 n ASP 209 N -1.92 5.62 0.07 6.41 -0.08 -0.27 -4.28 116.55 122.10 3mg3 n ASP 209 Ca -0.19 -3.14 -0.08 0.00 -1.51 0.00 0.00 54.79 49.88 3mg3 n ASP 209 Cb 0.64 -1.41 0.06 0.00 2.34 0.00 0.00 41.12 42.75 3mg3 n ASP 209 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 3mg3 h PHE 210 N 6.25 0.41 -0.90 -0.67 0.04 -1.91 -1.60 116.94 118.57 3mg3 h PHE 210 Ca 0.26 -0.18 0.02 0.00 2.80 0.00 0.00 57.97 60.87 3mg3 h PHE 210 Cb 0.75 -0.07 -0.05 0.00 2.20 0.00 0.00 35.95 38.79 3mg3 h PHE 210 CO 1.00 0.90 0.59 -0.44 -0.60 0.00 0.00 178.31 179.77 3mg3 h ASP 211 N 0.21 1.01 -0.18 2.17 3.32 -1.98 -0.44 116.42 120.54 3mg3 h ASP 211 Ca -0.02 -0.02 -0.18 0.00 0.02 0.00 0.00 57.03 56.82 3mg3 h ASP 211 Cb 1.25 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.55 3mg3 h ASP 211 CO 0.11 0.72 -0.58 0.74 -1.72 0.00 0.00 179.24 178.51 3mg3 h THR 212 N 1.19 1.29 -0.67 0.35 2.02 -1.94 -3.26 112.91 111.89 3mg3 h THR 212 Ca 0.34 -1.79 -0.01 0.00 0.77 0.00 0.00 66.41 65.72 3mg3 h THR 212 Cb -0.10 1.72 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 3mg3 h THR 212 CO -0.09 0.57 0.38 0.25 0.37 0.00 0.00 175.52 177.01 3mg3 h LEU 213 N 0.59 0.82 -1.31 2.58 5.85 -0.93 -2.54 115.31 120.36 3mg3 h LEU 213 Ca 0.00 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.58 3mg3 h LEU 213 Cb 1.18 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 3mg3 h LEU 213 CO 0.12 0.66 -0.29 -0.29 -0.34 0.00 0.00 178.44 178.30 3mg3 h ILE 214 N 0.91 0.87 0.00 4.05 6.09 -1.15 -1.22 117.51 127.06 3mg3 h ILE 214 Ca 0.24 -1.15 0.00 0.00 -1.37 0.00 0.00 64.86 62.58 3mg3 h ILE 214 Cb 0.01 1.69 0.00 0.00 0.47 0.00 0.00 36.82 38.99 3mg3 h ILE 214 CO -0.04 0.29 0.00 1.21 -3.07 0.00 0.00 178.15 176.53 3mg3 n GLU 215 N -3.70 0.06 0.05 2.19 2.13 -0.96 -1.90 120.64 118.52 3mg3 n GLU 215 Ca -0.01 0.40 0.13 0.00 0.66 0.00 0.00 57.16 58.34 3mg3 n GLU 215 Cb 0.40 -1.64 0.48 0.00 0.27 0.00 0.00 31.44 30.95 3mg3 n GLU 215 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3mg3 n LEU 216 N -1.76 0.43 -4.86 4.31 4.77 -0.46 -4.88 117.00 114.54 3mg3 n LEU 216 Ca 0.02 0.50 -0.33 0.00 -0.03 0.00 0.00 56.01 56.17 3mg3 n LEU 216 Cb 0.13 -0.39 -0.06 0.00 -2.33 0.00 0.00 43.42 40.77 3mg3 n LEU 216 CO 0.11 -0.08 0.29 -0.36 -1.33 0.00 0.00 177.39 176.02 3mg3 s PHE 217 N -3.05 3.47 0.82 -1.77 0.08 -0.80 -0.13 117.98 116.60 3mg3 s PHE 217 Ca 0.12 1.04 -0.11 0.00 0.12 0.00 0.00 56.93 58.11 3mg3 s PHE 217 Cb 0.16 -2.38 0.09 0.00 -0.57 0.00 0.00 43.02 40.31 3mg3 s PHE 217 CO 0.58 0.26 1.12 0.95 -0.10 0.00 0.00 175.22 178.03 3mg3 s THR 218 N -1.76 2.77 0.46 0.64 -4.23 -0.52 -4.73 115.64 108.27 3mg3 s THR 218 Ca 0.47 0.26 0.12 0.00 -1.18 0.00 0.00 61.69 61.36 3mg3 s THR 218 Cb -0.12 -2.58 0.24 0.00 1.34 0.00 0.00 72.50 71.38 3mg3 s THR 218 CO 0.20 -0.31 2.06 0.28 -0.54 0.00 0.00 174.62 176.31 3mg3 h SER 219 N -1.28 0.17 -0.58 3.99 0.02 -1.97 -1.26 113.55 112.64 3mg3 h SER 219 Ca -0.44 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 3mg3 h SER 219 Cb 1.25 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3mg3 h SER 219 CO 0.48 0.18 0.00 -0.90 -1.14 0.00 0.00 176.83 175.45 3mg3 n ASP 220 N -4.45 4.20 -4.74 3.07 5.75 -1.26 -3.04 116.55 116.08 3mg3 n ASP 220 Ca -0.01 -2.32 -0.31 0.00 -0.01 0.00 0.00 54.79 52.14 3mg3 n ASP 220 Cb 0.13 -0.50 0.11 0.00 -1.03 0.00 0.00 41.12 39.84 3mg3 n ASP 220 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3mg3 s GLY 221 N -1.04 1.66 0.12 6.12 0.00 -0.47 -4.22 107.32 109.48 3mg3 s GLY 221 Ca 0.45 0.18 0.03 0.00 0.00 0.00 0.00 44.72 45.38 3mg3 s GLY 221 CO 0.24 0.58 -0.07 0.00 0.00 0.00 0.00 173.10 173.85 3mg3 s ALA 222 N -2.89 1.18 -0.06 3.20 0.00 -0.56 -0.45 121.76 122.18 3mg3 s ALA 222 Ca 0.62 -1.42 0.02 0.00 0.00 0.00 0.00 51.96 51.17 3mg3 s ALA 222 Cb -0.18 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.12 3mg3 s ALA 222 CO 0.57 -0.20 -0.08 -1.17 0.00 0.00 0.00 175.76 174.87 3mg3 s LEU 223 N -3.10 1.48 -0.32 0.00 0.20 -0.40 -1.22 118.68 115.31 3mg3 s LEU 223 Ca 0.15 -0.22 -0.01 0.00 0.69 0.00 0.00 54.13 54.74 3mg3 s LEU 223 Cb 0.04 -0.64 0.07 0.00 -0.43 0.00 0.00 46.19 45.23 3mg3 s LEU 223 CO -0.02 -0.01 0.04 -1.58 -0.29 0.00 0.00 176.35 174.49 3mg3 s GLN 224 N 0.82 2.27 0.87 1.98 0.74 0.34 -0.45 119.66 126.23 3mg3 s GLN 224 Ca -0.12 -1.42 -0.11 0.00 0.05 0.00 0.00 55.36 53.75 3mg3 s GLN 224 Cb -0.15 -3.26 0.12 0.00 1.10 0.00 0.00 33.01 30.82 3mg3 s GLN 224 CO 0.02 -0.73 1.09 -2.14 -0.55 0.00 0.00 175.29 172.98 3mg3 s PRO 225 N 1.20 1.44 -0.05 1.67 0.02 -1.26 -0.61 135.00 137.41 3mg3 s PRO 225 Ca -0.01 0.88 -0.35 0.00 0.02 0.00 0.00 61.00 61.53 3mg3 s PRO 225 Cb -0.20 -1.83 -0.13 0.00 0.02 0.00 0.00 34.50 32.36 3mg3 s PRO 225 CO -0.02 -2.13 1.74 -2.30 -0.33 0.00 0.00 177.00 173.96 3mg3 n PRO 226 N -3.82 1.88 -1.32 5.54 -0.02 -0.85 -1.91 135.00 134.51 3mg3 n PRO 226 Ca 0.07 0.69 -0.11 0.00 -2.02 0.00 0.00 63.50 62.13 3mg3 n PRO 226 Cb 0.55 -2.47 -0.05 0.00 -0.02 0.00 0.00 33.50 31.51 3mg3 n PRO 226 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3mg3 n PHE 227 N 5.31 0.00 -4.42 6.00 3.72 -1.26 -4.99 117.46 121.82 3mg3 n PHE 227 Ca 0.22 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.36 3mg3 n PHE 227 Cb 0.25 -2.42 -0.09 0.00 -0.94 0.00 0.00 39.48 36.28 3mg3 n PHE 227 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3mg3 s GLN 228 N -2.80 1.99 0.70 -1.08 -1.52 -0.80 -5.08 119.66 111.07 3mg3 s GLN 228 Ca 0.00 -1.86 -0.11 0.00 -1.95 0.00 0.00 55.36 51.44 3mg3 s GLN 228 Cb 0.00 -1.83 0.01 0.00 -0.22 0.00 0.00 33.01 30.97 3mg3 s GLN 228 CO 0.00 0.10 1.06 1.03 -0.25 0.00 0.00 175.29 177.23 3mg3 s ARG 229 N -3.69 2.90 0.37 2.91 1.81 -1.26 -4.55 118.95 117.43 3mg3 s ARG 229 Ca 0.34 0.88 -0.28 0.00 -1.72 0.00 0.00 55.73 54.95 3mg3 s ARG 229 Cb 0.02 -1.99 -0.11 0.00 -0.45 0.00 0.00 34.95 32.42 3mg3 s ARG 229 CO 0.18 -1.11 1.43 -2.30 -0.68 0.00 0.00 175.30 172.83 3mg3 n PRO 230 N -3.13 2.51 -3.45 3.54 -0.02 -1.26 -4.54 135.00 128.65 3mg3 n PRO 230 Ca 0.07 0.88 -0.39 0.00 -2.02 0.00 0.00 63.50 62.04 3mg3 n PRO 230 Cb 0.54 -2.57 -0.10 0.00 -0.02 0.00 0.00 33.50 31.35 3mg3 n PRO 230 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3mg3 s ILE 231 N -1.11 5.21 -0.12 4.25 1.01 0.40 -4.94 121.20 125.90 3mg3 s ILE 231 Ca 0.54 0.46 -0.00 0.00 0.00 0.00 0.00 60.65 61.65 3mg3 s ILE 231 Cb -0.50 -3.65 -0.02 0.00 0.01 0.00 0.00 42.46 38.30 3mg3 s ILE 231 CO 0.63 0.18 -0.12 -0.69 0.00 0.00 0.00 174.94 174.95 3mg3 s VAL 232 N 1.98 3.21 0.00 2.92 1.01 -1.26 -1.28 120.40 126.98 3mg3 s VAL 232 Ca 0.13 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.49 3mg3 s VAL 232 Cb -0.16 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 33.88 3mg3 s VAL 232 CO 0.10 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.34 3mg3 n GLY 233 N 3.31 1.12 0.35 4.51 0.00 0.40 -4.39 105.19 110.48 3mg3 n GLY 233 Ca -0.18 -1.63 -0.03 0.00 0.00 0.00 0.00 46.02 44.18 3mg3 n GLY 233 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mg3 h LYS 234 N 0.00 1.12 0.22 1.61 1.57 -1.77 -1.71 116.57 117.62 3mg3 h LYS 234 Ca 0.00 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3mg3 h LYS 234 Cb 0.00 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 3mg3 h LYS 234 CO 0.00 0.84 -0.23 1.49 -0.57 0.00 0.00 179.45 180.99 3mg3 h GLU 235 N 1.12 -0.47 -0.51 3.15 4.81 -1.90 -0.05 114.58 120.74 3mg3 h GLU 235 Ca 0.28 0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.47 3mg3 h GLU 235 Cb 0.07 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 3mg3 h GLU 235 CO -0.04 -0.31 0.02 -0.91 -0.73 0.00 0.00 179.01 177.03 3mg3 h ASN 236 N -0.48 0.82 -0.20 1.04 2.35 -1.67 -1.83 115.58 115.60 3mg3 h ASN 236 Ca -0.00 -0.20 -0.17 0.00 -0.55 0.00 0.00 56.30 55.38 3mg3 h ASN 236 Cb 0.45 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.61 3mg3 h ASN 236 CO -0.06 0.87 -0.54 0.58 -1.65 0.00 0.00 177.43 176.64 3mg3 h VAL 237 N 0.79 1.30 -0.77 2.81 2.07 -1.16 -1.16 116.25 120.14 3mg3 h VAL 237 Ca 0.15 -1.76 -0.03 0.00 0.82 0.00 0.00 66.70 65.89 3mg3 h VAL 237 Cb 0.46 1.86 -0.04 0.00 -1.52 0.00 0.00 31.29 32.05 3mg3 h VAL 237 CO 0.02 0.56 0.37 0.25 0.02 0.00 0.00 177.57 178.79 3mg3 h LEU 238 N 0.44 1.00 -0.77 2.57 5.85 -0.88 0.03 115.31 123.55 3mg3 h LEU 238 Ca -0.01 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 3mg3 h LEU 238 Cb 1.16 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.90 3mg3 h LEU 238 CO 0.12 0.85 0.43 -0.09 -0.34 0.00 0.00 178.44 179.40 3mg3 h ARG 239 N 1.08 1.06 -0.50 1.25 2.43 -1.21 -1.28 114.38 117.21 3mg3 h ARG 239 Ca 0.26 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3mg3 h ARG 239 Cb 0.11 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 3mg3 h ARG 239 CO -0.03 0.78 0.30 0.35 -1.51 0.00 0.00 179.97 179.86 3mg3 h PHE 240 N 1.06 0.66 -0.25 2.20 3.57 -0.54 -0.96 116.94 122.68 3mg3 h PHE 240 Ca 0.27 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.81 3mg3 h PHE 240 Cb 0.02 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.51 3mg3 h PHE 240 CO -0.00 0.46 0.01 0.74 -2.23 0.00 0.00 178.31 177.29 3mg3 h PHE 241 N 0.67 0.01 -0.16 0.41 0.04 -0.60 -1.49 116.94 115.81 3mg3 h PHE 241 Ca 0.18 0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.86 3mg3 h PHE 241 Cb -0.01 0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 3mg3 h PHE 241 CO -0.03 -0.02 -0.37 0.00 -0.60 0.00 0.00 178.31 177.29 3mg3 h ARG 242 N 0.09 0.35 0.00 1.51 3.08 -0.95 -1.29 114.38 117.18 3mg3 h ARG 242 Ca 0.12 -0.16 -0.23 0.00 0.07 0.00 0.00 59.98 59.77 3mg3 h ARG 242 Cb 0.14 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.15 3mg3 h ARG 242 CO -0.18 0.68 -1.32 0.93 -1.07 0.00 0.00 179.97 179.00 3mg3 h GLU 243 N 0.30 0.00 0.00 0.04 5.08 -1.00 -3.43 114.58 115.57 3mg3 h GLU 243 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3mg3 h GLU 243 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 3mg3 h GLU 243 CO 0.06 0.64 -0.45 0.39 -1.00 0.00 0.00 179.01 178.66 3mg3 n GLU 244 N -3.15 3.21 -0.55 2.33 1.02 -0.58 -4.76 120.64 118.17 3mg3 n GLU 244 Ca -0.08 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.09 3mg3 n GLU 244 Cb 0.96 -0.71 0.22 0.00 -0.02 0.00 0.00 31.44 31.88 3mg3 n GLU 244 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3mg3 s GLN 246 N -3.02 4.55 -1.27 0.00 -0.21 -1.25 -4.27 119.66 114.18 3mg3 s GLN 246 Ca 0.42 1.33 0.00 0.00 0.02 0.00 0.00 55.36 57.12 3mg3 s GLN 246 Cb 0.36 -2.76 0.00 0.00 1.00 0.00 0.00 33.01 31.61 3mg3 s GLN 246 CO 0.04 0.25 0.00 0.09 -2.12 0.00 0.00 175.29 173.55 3mg3 n ASN 247 N 0.48 -4.37 -4.84 5.90 3.02 -1.26 -4.80 115.26 109.39 3mg3 n ASN 247 Ca 0.02 0.13 -0.31 0.00 -0.03 0.00 0.00 54.58 54.39 3mg3 n ASN 247 Cb 0.50 -3.35 0.03 0.00 -0.61 0.00 0.00 39.78 36.36 3mg3 n ASN 247 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3mg3 s LEU 248 N -3.56 3.21 -0.24 3.41 1.43 -1.26 -3.83 118.68 117.85 3mg3 s LEU 248 Ca 0.00 1.56 0.01 0.00 -1.03 0.00 0.00 54.13 54.68 3mg3 s LEU 248 Cb 0.00 -4.49 0.06 0.00 0.03 0.00 0.00 46.19 41.79 3mg3 s LEU 248 CO 0.00 -1.20 -0.08 -0.75 0.23 0.00 0.00 176.35 174.55 3mg3 s LYS 249 N -4.98 1.88 -0.17 1.70 2.20 -0.68 -4.67 119.74 115.02 3mg3 s LYS 249 Ca 0.57 -1.07 -0.16 0.00 -0.36 0.00 0.00 55.97 54.95 3mg3 s LYS 249 Cb -0.13 -2.65 -0.04 0.00 -1.51 0.00 0.00 37.83 33.50 3mg3 s LYS 249 CO 0.52 -0.56 0.42 -0.51 -0.36 0.00 0.00 175.35 174.86 3mg3 s LEU 250 N 1.31 4.21 -0.57 5.43 1.02 -1.26 -1.08 118.68 127.74 3mg3 s LEU 250 Ca -0.06 0.63 0.06 0.00 0.02 0.00 0.00 54.13 54.78 3mg3 s LEU 250 Cb -0.19 -2.57 0.24 0.00 0.02 0.00 0.00 46.19 43.70 3mg3 s LEU 250 CO -0.06 -0.03 0.65 -0.38 0.02 0.00 0.00 176.35 176.55 3mg3 n ILE 251 N 3.99 1.33 -2.15 -0.59 5.41 0.57 -5.01 119.36 122.91 3mg3 n ILE 251 Ca -0.08 -4.79 -0.37 0.00 1.00 0.00 0.00 62.75 58.51 3mg3 n ILE 251 Cb 0.51 -2.05 0.01 0.00 -0.71 0.00 0.00 39.64 37.40 3mg3 n ILE 251 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3mg3 s PRO 252 N -1.95 3.44 -0.03 0.38 0.04 -1.26 -1.54 135.00 134.07 3mg3 s PRO 252 Ca 0.37 1.80 -0.02 0.00 0.04 0.00 0.00 61.00 63.19 3mg3 s PRO 252 Cb 0.14 -2.20 -0.02 0.00 0.04 0.00 0.00 34.50 32.46 3mg3 s PRO 252 CO -0.06 -0.83 -0.06 -1.91 0.04 0.00 0.00 177.00 174.19 3mg3 n GLU 253 N -0.96 0.10 -3.78 4.56 2.13 0.15 -4.74 120.64 118.10 3mg3 n GLU 253 Ca 0.10 0.04 -0.10 0.00 0.66 0.00 0.00 57.16 57.86 3mg3 n GLU 253 Cb 0.49 -0.67 -0.05 0.00 0.27 0.00 0.00 31.44 31.48 3mg3 n GLU 253 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 3mg3 s ARG 254 N -2.09 1.22 0.37 5.31 1.70 -1.07 -1.09 118.95 123.30 3mg3 s ARG 254 Ca -0.06 -0.91 -0.09 0.00 -0.47 0.00 0.00 55.73 54.19 3mg3 s ARG 254 Cb 0.02 0.46 0.03 0.00 -0.57 0.00 0.00 34.95 34.90 3mg3 s ARG 254 CO 0.08 -0.49 0.64 0.20 -1.08 0.00 0.00 175.30 174.65 3mg3 s GLY 255 N -2.88 0.92 -0.06 3.88 0.00 -0.47 -0.75 107.32 107.96 3mg3 s GLY 255 Ca 0.09 -1.13 -0.07 0.00 0.00 0.00 0.00 44.72 43.62 3mg3 s GLY 255 CO -0.05 -0.65 0.19 0.54 0.00 0.00 0.00 173.10 173.13 3mg3 s VAL 256 N -2.66 0.01 -0.08 1.40 0.11 -0.20 -4.68 120.40 114.29 3mg3 s VAL 256 Ca 0.23 -0.10 0.02 0.00 -2.93 0.00 0.00 61.98 59.20 3mg3 s VAL 256 Cb -0.03 -0.30 0.01 0.00 -1.53 0.00 0.00 36.38 34.54 3mg3 s VAL 256 CO 0.16 -0.05 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.84 3mg3 s THR 257 N -0.11 1.32 0.02 5.04 2.01 -1.26 -1.35 115.64 121.31 3mg3 s THR 257 Ca -0.02 -0.57 -0.03 0.00 0.31 0.00 0.00 61.69 61.38 3mg3 s THR 257 Cb -0.02 -1.20 -0.02 0.00 0.01 0.00 0.00 72.50 71.27 3mg3 s THR 257 CO 0.00 0.40 0.03 -1.61 -0.69 0.00 0.00 174.62 172.75 3mg3 s GLU 258 N 0.73 0.44 0.61 4.92 2.02 -0.02 -5.01 118.70 122.40 3mg3 s GLU 258 Ca -0.13 -0.68 -0.16 0.00 0.02 0.00 0.00 54.97 54.02 3mg3 s GLU 258 Cb -0.16 0.17 -0.02 0.00 0.10 0.00 0.00 34.13 34.21 3mg3 s GLU 258 CO 0.03 -0.09 1.08 -1.25 0.02 0.00 0.00 175.26 175.05 3mg3 s PRO 259 N -2.01 3.11 0.28 0.39 0.04 -1.26 -0.01 135.00 135.54 3mg3 s PRO 259 Ca -0.10 1.32 0.02 0.00 0.04 0.00 0.00 61.00 62.27 3mg3 s PRO 259 Cb -0.05 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 3mg3 s PRO 259 CO -0.02 -0.99 0.08 0.00 0.04 0.00 0.00 177.00 176.11 3mg3 n ALA 260 N -2.11 0.36 -1.15 8.56 0.00 -0.19 -4.60 120.51 121.37 3mg3 n ALA 260 Ca 0.10 -1.38 -0.31 0.00 0.00 0.00 0.00 53.44 51.85 3mg3 n ALA 260 Cb 0.52 0.90 0.11 0.00 0.00 0.00 0.00 19.45 20.98 3mg3 n ALA 260 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3mg3 s GLU 261 N -3.05 1.94 -1.33 0.00 2.02 -1.26 -3.74 118.70 113.27 3mg3 s GLU 261 Ca 0.11 1.20 -0.06 0.00 0.02 0.00 0.00 54.97 56.25 3mg3 s GLU 261 Cb 0.01 -1.86 0.04 0.00 0.10 0.00 0.00 34.13 32.42 3mg3 s GLU 261 CO 0.08 -1.88 0.41 -0.25 0.02 0.00 0.00 175.26 173.64 3mg3 n ASP 262 N -3.69 -4.47 -0.02 -0.19 8.00 -1.26 -1.38 116.55 113.55 3mg3 n ASP 262 Ca 0.09 -0.23 -0.00 0.00 0.71 0.00 0.00 54.79 55.36 3mg3 n ASP 262 Cb 0.53 -3.69 -0.00 0.00 -0.02 0.00 0.00 41.12 37.94 3mg3 n ASP 262 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mg3 n GLY 263 N -1.19 0.40 3.90 0.44 0.00 -1.25 -4.78 105.19 102.70 3mg3 n GLY 263 Ca -0.08 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 3mg3 n GLY 263 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mg3 s PHE 264 N -1.78 2.75 -0.00 1.61 0.40 -0.48 -3.94 117.98 116.54 3mg3 s PHE 264 Ca 0.00 0.70 0.03 0.00 -0.60 0.00 0.00 56.93 57.07 3mg3 s PHE 264 Cb 0.00 -3.57 -0.01 0.00 0.51 0.00 0.00 43.02 39.95 3mg3 s PHE 264 CO 0.00 -1.93 -0.11 0.99 0.70 0.00 0.00 175.22 174.87 3mg3 s THR 265 N -3.60 0.84 -0.06 0.64 2.01 -0.34 -1.02 115.64 114.11 3mg3 s THR 265 Ca 0.64 -0.50 0.04 0.00 0.31 0.00 0.00 61.69 62.18 3mg3 s THR 265 Cb -0.10 -0.71 -0.02 0.00 0.01 0.00 0.00 72.50 71.68 3mg3 s THR 265 CO 0.50 0.21 -0.18 0.00 -0.69 0.00 0.00 174.62 174.46 3mg3 s GLN 266 N -0.33 2.65 -0.03 4.92 -2.07 0.99 -0.84 119.66 124.95 3mg3 s GLN 266 Ca 0.04 -0.76 0.02 0.00 -1.82 0.00 0.00 55.36 52.83 3mg3 s GLN 266 Cb -0.04 -2.35 0.01 0.00 -1.09 0.00 0.00 33.01 29.54 3mg3 s GLN 266 CO -0.00 0.48 -0.08 0.42 -1.32 0.00 0.00 175.29 174.79 3mg3 s ILE 267 N -0.38 0.71 -0.12 3.63 1.01 -0.28 -0.84 121.20 124.94 3mg3 s ILE 267 Ca 0.04 -0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.42 3mg3 s ILE 267 Cb -0.12 -0.66 -0.00 0.00 0.01 0.00 0.00 42.46 41.68 3mg3 s ILE 267 CO 0.02 0.24 -0.19 -0.75 0.00 0.00 0.00 174.94 174.26 3mg3 s LYS 268 N 0.42 3.17 -0.03 2.79 2.20 -0.46 -0.27 119.74 127.57 3mg3 s LYS 268 Ca -0.06 -0.80 0.07 0.00 -0.36 0.00 0.00 55.97 54.82 3mg3 s LYS 268 Cb -0.11 -2.45 -0.02 0.00 -1.51 0.00 0.00 37.83 33.75 3mg3 s LYS 268 CO 0.01 0.16 -0.25 0.08 -0.36 0.00 0.00 175.35 174.99 3mg3 s VAL 269 N 0.42 1.97 0.20 4.02 1.01 -0.17 -1.04 120.40 126.82 3mg3 s VAL 269 Ca -0.14 -1.06 0.11 0.00 0.00 0.00 0.00 61.98 60.90 3mg3 s VAL 269 Cb -0.17 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 3mg3 s VAL 269 CO 0.06 0.56 -0.23 0.42 0.00 0.00 0.00 175.10 175.90 3mg3 s THR 270 N -0.49 2.36 -1.25 3.92 -4.23 0.07 -0.71 115.64 115.30 3mg3 s THR 270 Ca 0.07 -2.08 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 3mg3 s THR 270 Cb -0.10 -2.14 0.00 0.00 1.34 0.00 0.00 72.50 71.59 3mg3 s THR 270 CO -0.00 -0.16 0.00 0.61 -0.54 0.00 0.00 174.62 174.53 3mg3 n GLY 271 N 0.15 -0.75 3.29 3.99 0.00 -0.43 -0.67 105.19 110.77 3mg3 n GLY 271 Ca -0.12 -0.36 -0.20 0.00 0.00 0.00 0.00 46.02 45.35 3mg3 n GLY 271 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mg3 s LYS 272 N -0.59 1.17 0.01 1.61 1.02 -0.59 -1.20 119.74 121.18 3mg3 s LYS 272 Ca 0.00 -1.35 0.02 0.00 0.02 0.00 0.00 55.97 54.66 3mg3 s LYS 272 Cb 0.00 -1.13 -0.01 0.00 -0.52 0.00 0.00 37.83 36.17 3mg3 s LYS 272 CO 0.00 0.22 -0.05 0.54 -0.92 0.00 0.00 175.35 175.14 3mg3 s VAL 273 N -2.16 0.40 -0.06 3.17 0.11 -0.58 -0.31 120.40 120.97 3mg3 s VAL 273 Ca 0.13 -0.43 0.03 0.00 -2.93 0.00 0.00 61.98 58.79 3mg3 s VAL 273 Cb -0.05 -0.38 -0.03 0.00 -1.53 0.00 0.00 36.38 34.40 3mg3 s VAL 273 CO 0.05 -0.03 -0.13 -1.10 -3.33 0.00 0.00 175.10 170.56 3mg3 s GLN 274 N -0.49 2.61 -0.00 1.54 -0.21 -0.24 -1.20 119.66 121.66 3mg3 s GLN 274 Ca -0.01 -0.67 -0.06 0.00 0.02 0.00 0.00 55.36 54.64 3mg3 s GLN 274 Cb -0.04 -2.43 -0.05 0.00 1.00 0.00 0.00 33.01 31.50 3mg3 s GLN 274 CO -0.00 0.60 0.24 -0.08 -2.12 0.00 0.00 175.29 173.93 3mg3 s THR 275 N -0.66 5.35 -0.40 -0.19 -1.32 -1.26 -1.69 115.64 115.48 3mg3 s THR 275 Ca 0.10 0.09 0.20 0.00 -1.21 0.00 0.00 61.69 60.86 3mg3 s THR 275 Cb -0.11 -3.55 0.20 0.00 -1.51 0.00 0.00 72.50 67.53 3mg3 s THR 275 CO 0.01 0.37 1.60 -0.81 -2.21 0.00 0.00 174.62 173.58 3mg3 n PRO 276 N 1.12 0.13 0.27 7.08 -0.04 -1.25 -0.72 135.00 141.59 3mg3 n PRO 276 Ca -0.12 0.55 0.14 0.00 -0.04 0.00 0.00 63.50 64.03 3mg3 n PRO 276 Cb 0.53 -1.87 0.71 0.00 -0.04 0.00 0.00 33.50 32.83 3mg3 n PRO 276 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3mg3 h TRP 277 N 0.00 0.00 0.00 0.54 4.06 -1.93 -3.34 115.95 115.28 3mg3 h TRP 277 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3mg3 h TRP 277 Cb 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.27 3mg3 h TRP 277 CO 0.00 0.11 0.00 1.19 -3.56 0.00 0.00 178.44 176.18 3mg3 n PHE 278 N -3.40 0.00 -3.34 0.49 3.72 -0.62 -0.64 117.46 113.67 3mg3 n PHE 278 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 3mg3 n PHE 278 Cb 0.28 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 3mg3 n PHE 278 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mg3 n GLY 279 N 0.29 2.37 0.00 1.37 0.00 0.10 -1.90 105.19 107.42 3mg3 n GLY 279 Ca 0.00 -0.35 0.13 0.00 0.00 0.00 0.00 46.02 45.80 3mg3 n GLY 279 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mg3 n GLY 280 N 0.00 -0.82 0.17 -0.02 0.00 -1.26 -3.50 105.19 99.76 3mg3 n GLY 280 Ca 0.00 -0.16 0.13 0.00 0.00 0.00 0.00 46.02 45.98 3mg3 n GLY 280 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3mg3 h ASN 281 N 0.00 0.00 -3.21 1.61 -0.26 -1.78 -3.41 115.58 108.53 3mg3 h ASN 281 Ca 0.00 0.00 -0.52 0.00 -0.56 0.00 0.00 56.30 55.22 3mg3 h ASN 281 Cb 0.00 0.00 -0.37 0.00 -1.06 0.00 0.00 38.32 36.89 3mg3 h ASN 281 CO 0.00 0.00 -0.80 -0.69 -1.06 0.00 0.00 177.43 174.88 3mg3 s VAL 282 N -3.17 1.02 -0.34 2.81 1.01 -1.23 -5.08 120.40 115.42 3mg3 s VAL 282 Ca 0.09 -0.30 -0.05 0.00 0.00 0.00 0.00 61.98 61.72 3mg3 s VAL 282 Cb 0.08 -1.03 0.05 0.00 0.00 0.00 0.00 36.38 35.48 3mg3 s VAL 282 CO 0.63 0.36 0.10 -0.83 0.00 0.00 0.00 175.10 175.36 3mg3 s GLY 283 N 1.61 1.84 0.27 4.51 0.00 -1.26 -4.52 107.32 109.77 3mg3 s GLY 283 Ca 0.03 -1.84 -0.29 0.00 0.00 0.00 0.00 44.72 42.62 3mg3 s GLY 283 CO -0.07 0.79 0.98 1.06 0.00 0.00 0.00 173.10 175.85 3mg3 s MET 284 N 1.35 4.75 -0.25 2.90 -1.94 -0.34 -4.74 119.30 121.03 3mg3 s MET 284 Ca -0.01 1.53 -0.24 0.00 -1.71 0.00 0.00 55.69 55.25 3mg3 s MET 284 Cb -0.20 -3.16 -0.00 0.00 2.01 0.00 0.00 34.83 33.47 3mg3 s MET 284 CO 0.01 0.40 0.82 -0.80 -0.01 0.00 0.00 175.02 175.44 3mg3 s ASN 285 N -1.20 6.80 0.01 3.03 0.01 -1.26 -1.52 114.94 120.81 3mg3 s ASN 285 Ca 0.44 0.98 0.04 0.00 -0.71 0.00 0.00 52.86 53.60 3mg3 s ASN 285 Cb -0.26 -2.43 -0.01 0.00 0.41 0.00 0.00 41.25 38.96 3mg3 s ASN 285 CO 0.32 -0.53 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.64 3mg3 s ILE 286 N 2.85 0.90 0.04 0.60 -1.09 -0.34 -0.90 121.20 123.27 3mg3 s ILE 286 Ca 0.34 -0.68 0.07 0.00 -2.23 0.00 0.00 60.65 58.16 3mg3 s ILE 286 Cb -0.15 -0.79 -0.03 0.00 -1.58 0.00 0.00 42.46 39.91 3mg3 s ILE 286 CO 0.08 0.11 -0.18 0.00 -1.23 0.00 0.00 174.94 173.72 3mg3 s ALA 287 N -0.53 2.60 -0.11 9.38 0.00 -0.04 -1.32 121.76 131.74 3mg3 s ALA 287 Ca 0.02 -1.19 -0.02 0.00 0.00 0.00 0.00 51.96 50.78 3mg3 s ALA 287 Cb -0.06 -0.74 -0.03 0.00 0.00 0.00 0.00 23.12 22.29 3mg3 s ALA 287 CO 0.00 0.57 -0.05 -1.58 0.00 0.00 0.00 175.76 174.71 3mg3 s TRP 288 N -0.92 3.01 -0.22 0.00 0.51 0.11 -0.16 118.94 121.27 3mg3 s TRP 288 Ca 0.15 -0.11 0.01 0.00 -2.12 0.00 0.00 56.10 54.03 3mg3 s TRP 288 Cb -0.10 -1.83 0.05 0.00 -0.81 0.00 0.00 33.47 30.77 3mg3 s TRP 288 CO 0.05 0.18 -0.11 1.03 -0.51 0.00 0.00 176.95 177.60 3mg3 s ARG 289 N -0.28 2.11 -0.08 4.98 0.52 0.33 -1.00 118.95 125.53 3mg3 s ARG 289 Ca 0.05 -1.00 -0.03 0.00 -0.52 0.00 0.00 55.73 54.23 3mg3 s ARG 289 Cb -0.13 -2.58 -0.04 0.00 0.52 0.00 0.00 34.95 32.72 3mg3 s ARG 289 CO 0.02 -0.47 0.05 -0.06 0.02 0.00 0.00 175.30 174.86 3mg3 s PHE 290 N 1.31 3.29 -0.21 -0.53 0.08 0.62 -0.81 117.98 121.74 3mg3 s PHE 290 Ca -0.03 0.28 0.02 0.00 0.12 0.00 0.00 56.93 57.31 3mg3 s PHE 290 Cb -0.17 -1.82 0.04 0.00 -0.57 0.00 0.00 43.02 40.50 3mg3 s PHE 290 CO -0.07 0.55 -0.15 -1.17 -0.10 0.00 0.00 175.22 174.28 3mg3 s LEU 291 N -1.06 2.59 -0.10 -0.37 2.96 0.24 -1.13 118.68 121.81 3mg3 s LEU 291 Ca 0.15 -0.94 -0.00 0.00 -0.22 0.00 0.00 54.13 53.12 3mg3 s LEU 291 Cb -0.12 -1.45 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 3mg3 s LEU 291 CO 0.05 -0.09 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.15 3mg3 s LEU 292 N 1.25 3.12 0.00 -0.68 1.43 -0.02 -1.20 118.68 122.59 3mg3 s LEU 292 Ca -0.01 -0.09 -0.18 0.00 -1.03 0.00 0.00 54.13 52.82 3mg3 s LEU 292 Cb -0.16 -1.70 0.25 0.00 0.03 0.00 0.00 46.19 44.61 3mg3 s LEU 292 CO -0.09 0.29 1.21 -0.46 0.23 0.00 0.00 176.35 177.53 3mg3 n ASN 293 N 2.70 -0.80 0.29 2.29 0.23 -0.01 -1.20 115.26 118.76 3mg3 n ASN 293 Ca -0.18 -1.34 0.17 0.00 -0.53 0.00 0.00 54.58 52.70 3mg3 n ASN 293 Cb 0.53 -0.99 0.89 0.00 -2.08 0.00 0.00 39.78 38.12 3mg3 n ASN 293 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 3mg3 h PRO 294 N 0.00 0.00 -0.01 -0.53 0.11 -1.87 -1.33 132.00 128.37 3mg3 h PRO 294 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3mg3 h PRO 294 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3mg3 h PRO 294 CO 0.28 0.05 -0.03 0.39 -0.21 0.00 0.00 178.00 178.48 3mg3 n GLU 295 N -3.43 1.48 -0.25 1.05 4.71 -1.26 -4.93 120.64 118.01 3mg3 n GLU 295 Ca -0.02 -0.80 0.00 0.00 -0.01 0.00 0.00 57.16 56.33 3mg3 n GLU 295 Cb 0.18 -1.48 0.00 0.00 -1.01 0.00 0.00 31.44 29.13 3mg3 n GLU 295 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3mg3 n GLY 296 N 1.18 0.74 3.84 0.62 0.00 -0.50 -5.07 105.19 106.00 3mg3 n GLY 296 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3mg3 n GLY 296 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mg3 s LYS 297 N -0.75 4.03 -0.50 1.61 -0.14 -1.26 -4.76 119.74 117.97 3mg3 s LYS 297 Ca 0.00 0.78 -0.29 0.00 -1.36 0.00 0.00 55.97 55.10 3mg3 s LYS 297 Cb 0.00 -2.35 0.03 0.00 -1.68 0.00 0.00 37.83 33.83 3mg3 s LYS 297 CO 0.00 0.06 1.15 0.42 -0.76 0.00 0.00 175.35 176.22 3mg3 s ILE 298 N -2.11 4.16 0.05 2.17 1.01 0.82 -0.83 121.20 126.47 3mg3 s ILE 298 Ca 0.56 1.15 -0.01 0.00 0.00 0.00 0.00 60.65 62.36 3mg3 s ILE 298 Cb -0.10 -4.63 -0.27 0.00 0.01 0.00 0.00 42.46 37.47 3mg3 s ILE 298 CO 0.19 -1.09 1.05 0.15 0.00 0.00 0.00 174.94 175.24 3mg3 h PHE 299 N 9.30 0.37 -2.30 3.97 3.57 -1.48 -1.37 116.94 128.99 3mg3 h PHE 299 Ca -0.23 -0.27 -0.06 0.00 3.53 0.00 0.00 57.97 60.94 3mg3 h PHE 299 Cb 1.06 -0.01 -0.23 0.00 2.79 0.00 0.00 35.95 39.56 3mg3 h PHE 299 CO 0.99 1.25 -0.07 0.12 -2.23 0.00 0.00 178.31 178.37 3mg3 s PHE 300 N -2.65 -0.75 -0.05 0.41 5.36 -1.06 -1.49 117.98 117.74 3mg3 s PHE 300 Ca -0.05 1.66 0.01 0.00 -0.96 0.00 0.00 56.93 57.59 3mg3 s PHE 300 Cb 0.08 0.34 0.02 0.00 -0.34 0.00 0.00 43.02 43.12 3mg3 s PHE 300 CO 0.86 -0.37 -0.04 0.54 -1.46 0.00 0.00 175.22 174.74 3mg3 s VAL 301 N 0.88 0.57 -0.03 3.12 0.11 -0.36 -0.59 120.40 124.10 3mg3 s VAL 301 Ca -0.05 -0.11 -0.01 0.00 -2.93 0.00 0.00 61.98 58.88 3mg3 s VAL 301 Cb -0.05 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 34.15 3mg3 s VAL 301 CO -0.07 0.25 0.07 0.00 -3.33 0.00 0.00 175.10 172.01 3mg3 s ALA 302 N 1.13 3.54 -0.16 1.54 0.00 0.01 -0.50 121.76 127.32 3mg3 s ALA 302 Ca -0.08 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.06 3mg3 s ALA 302 Cb -0.14 -1.58 0.01 0.00 0.00 0.00 0.00 23.12 21.41 3mg3 s ALA 302 CO -0.01 0.66 -0.21 0.42 0.00 0.00 0.00 175.76 176.62 3mg3 s ILE 303 N -1.11 2.06 -0.03 0.00 1.09 0.22 -0.51 121.20 122.91 3mg3 s ILE 303 Ca 0.20 -0.96 0.06 0.00 -1.10 0.00 0.00 60.65 58.85 3mg3 s ILE 303 Cb -0.12 -1.83 -0.01 0.00 -1.06 0.00 0.00 42.46 39.44 3mg3 s ILE 303 CO 0.10 0.55 -0.23 -1.81 -0.10 0.00 0.00 174.94 173.45 3mg3 s ASP 304 N 1.00 2.71 -0.09 3.58 1.01 0.78 -2.01 116.67 123.65 3mg3 s ASP 304 Ca -0.02 -0.43 -0.24 0.00 0.71 0.00 0.00 52.55 52.56 3mg3 s ASP 304 Cb -0.15 -0.51 -0.03 0.00 1.01 0.00 0.00 42.92 43.25 3mg3 s ASP 304 CO -0.06 0.25 0.76 -0.22 0.21 0.00 0.00 175.17 176.11 3mg3 s LEU 305 N -0.33 4.28 0.26 1.23 2.96 -1.26 -0.86 118.68 124.96 3mg3 s LEU 305 Ca 0.03 1.22 -0.08 0.00 -0.22 0.00 0.00 54.13 55.09 3mg3 s LEU 305 Cb -0.11 -3.16 -0.06 0.00 0.50 0.00 0.00 46.19 43.36 3mg3 s LEU 305 CO 0.01 -0.20 0.56 -0.76 -1.32 0.00 0.00 176.35 174.63 3mg3 s LEU 306 N 1.19 4.10 0.36 -0.68 1.43 -0.07 -0.56 118.68 124.44 3mg3 s LEU 306 Ca 0.39 0.84 0.06 0.00 -1.03 0.00 0.00 54.13 54.39 3mg3 s LEU 306 Cb -0.18 -3.63 0.67 0.00 0.03 0.00 0.00 46.19 43.08 3mg3 s LEU 306 CO 0.18 -0.14 1.89 0.00 0.23 0.00 0.00 176.35 178.50 3mg3 h ALA 307 N 2.11 1.42 -2.75 4.21 0.00 -1.08 -3.38 119.26 119.78 3mg3 h ALA 307 Ca -0.47 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 54.33 3mg3 h ALA 307 Cb 1.18 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 3mg3 h ALA 307 CO 0.68 0.40 0.34 -1.54 0.00 0.00 0.00 179.25 179.13 3mg3 s SER 308 N -6.80 -0.18 0.30 0.00 1.04 -1.26 -4.87 113.70 101.93 3mg3 s SER 308 Ca -0.07 -0.62 0.20 0.00 0.48 0.00 0.00 55.95 55.94 3mg3 s SER 308 Cb 0.15 0.65 1.08 0.00 0.10 0.00 0.00 66.02 68.00 3mg3 s SER 308 CO 0.75 -1.23 1.60 -2.65 0.98 0.00 0.00 173.24 172.70 3mg3 n PRO 309 N -0.49 0.13 0.00 4.02 -0.02 -1.26 -1.17 135.00 136.21 3mg3 n PRO 309 Ca -0.05 0.63 0.11 0.00 -2.02 0.00 0.00 63.50 62.17 3mg3 n PRO 309 Cb 0.60 -1.94 0.56 0.00 -0.02 0.00 0.00 33.50 32.70 3mg3 n PRO 309 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3mg3 n LYS 310 N -2.20 0.25 0.00 -0.52 5.02 -1.26 -2.02 118.16 117.43 3mg3 n LYS 310 Ca -0.01 0.08 0.12 0.00 -2.02 0.00 0.00 58.31 56.47 3mg3 n LYS 310 Cb 0.04 -1.50 0.20 0.00 -0.02 0.00 0.00 35.03 33.75 3mg3 n LYS 310 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3mg3 n GLU 311 N -1.33 0.00 0.00 1.97 -0.58 -0.32 -5.13 120.64 115.25 3mg3 n GLU 311 Ca 0.10 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.94 3mg3 n GLU 311 Cb 0.20 -1.50 0.61 0.00 -0.57 0.00 0.00 31.44 30.18 3mg3 n GLU 311 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93