#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mg1 s THR 4 N 0.00 2.93 0.18 4.37 -4.23 -1.26 -5.04 115.64 112.59 3mg1 s THR 4 Ca 0.00 -2.17 -0.13 0.00 -1.18 0.00 0.00 61.69 58.21 3mg1 s THR 4 Cb 0.00 -2.56 0.09 0.00 1.34 0.00 0.00 72.50 71.36 3mg1 s THR 4 CO 0.00 -0.38 1.76 0.40 -0.54 0.00 0.00 174.62 175.86 3mg1 h ILE 5 N 2.08 0.88 -0.07 2.99 1.08 -1.94 -1.65 117.51 120.89 3mg1 h ILE 5 Ca -0.42 -0.14 -0.08 0.00 -0.39 0.00 0.00 64.86 63.83 3mg1 h ILE 5 Cb 1.25 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 35.42 3mg1 h ILE 5 CO 0.60 0.08 -0.34 0.44 -0.69 0.00 0.00 178.15 178.24 3mg1 h ASP 6 N 0.41 0.13 0.63 1.72 3.32 -2.02 -2.47 116.42 118.15 3mg1 h ASP 6 Ca 0.23 -0.05 -0.18 0.00 0.02 0.00 0.00 57.03 57.06 3mg1 h ASP 6 Cb 0.21 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 3mg1 h ASP 6 CO -0.21 0.47 -0.81 0.77 -1.72 0.00 0.00 179.24 177.74 3mg1 h SER 7 N 0.12 0.16 0.29 6.45 4.64 -1.88 -3.02 113.55 120.31 3mg1 h SER 7 Ca 0.01 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3mg1 h SER 7 Cb 0.66 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3mg1 h SER 7 CO 0.05 0.90 0.00 0.00 -0.87 0.00 0.00 176.83 176.91 3mg1 h ALA 8 N 1.09 1.00 0.00 5.18 0.00 -0.83 -2.18 119.26 123.52 3mg1 h ALA 8 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3mg1 h ALA 8 Cb 1.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3mg1 h ALA 8 CO 0.12 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.37 3mg1 h ARG 9 N 0.00 0.00 -0.10 0.00 3.08 -1.42 -2.25 114.38 113.68 3mg1 h ARG 9 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3mg1 h ARG 9 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3mg1 h ARG 9 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 3mg1 n GLY 10 N -1.14 0.43 3.76 0.04 0.00 -0.82 -4.96 105.19 102.50 3mg1 n GLY 10 Ca -0.02 -0.51 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 3mg1 n GLY 10 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3mg1 s ILE 11 N -1.88 2.75 -1.07 -0.61 -4.36 -0.85 -3.58 121.20 111.59 3mg1 s ILE 11 Ca 0.35 0.47 -0.19 0.00 -0.26 0.00 0.00 60.65 61.01 3mg1 s ILE 11 Cb 0.20 -3.19 0.01 0.00 1.25 0.00 0.00 42.46 40.73 3mg1 s ILE 11 CO 0.30 -0.10 0.73 0.49 0.24 0.00 0.00 174.94 176.61 3mg1 n PHE 12 N -1.49 -1.89 0.51 1.37 3.72 -1.26 -4.86 117.46 113.57 3mg1 n PHE 12 Ca 0.13 0.47 0.06 0.00 -0.05 0.00 0.00 57.45 58.06 3mg1 n PHE 12 Cb 0.50 -3.21 0.29 0.00 -0.94 0.00 0.00 39.48 36.12 3mg1 n PHE 12 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3mg1 n PRO 13 N -3.94 0.08 0.11 -1.08 -0.04 -1.23 -1.98 135.00 126.92 3mg1 n PRO 13 Ca -0.13 0.23 0.13 0.00 -0.04 0.00 0.00 63.50 63.69 3mg1 n PRO 13 Cb 0.59 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 33.00 3mg1 n PRO 13 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3mg1 n ASN 14 N -1.40 0.72 -4.64 3.54 6.94 -1.26 -4.83 115.26 114.33 3mg1 n ASN 14 Ca 0.04 0.61 -0.43 0.00 -0.02 0.00 0.00 54.58 54.79 3mg1 n ASN 14 Cb 0.13 -0.79 -0.03 0.00 -2.36 0.00 0.00 39.78 36.73 3mg1 n ASN 14 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 3mg1 s THR 15 N -3.18 3.60 -0.54 5.53 2.01 -0.84 -4.93 115.64 117.28 3mg1 s THR 15 Ca 0.08 0.70 -0.18 0.00 0.31 0.00 0.00 61.69 62.60 3mg1 s THR 15 Cb 0.11 -3.55 0.08 0.00 0.01 0.00 0.00 72.50 69.16 3mg1 s THR 15 CO 0.51 -0.17 0.62 -0.22 -0.69 0.00 0.00 174.62 174.67 3mg1 s LEU 16 N 4.83 5.32 0.57 4.42 2.96 -1.26 -5.03 118.68 130.48 3mg1 s LEU 16 Ca 0.74 -1.25 -0.15 0.00 -0.22 0.00 0.00 54.13 53.25 3mg1 s LEU 16 Cb -0.29 -2.34 -0.06 0.00 0.50 0.00 0.00 46.19 44.00 3mg1 s LEU 16 CO 0.30 -0.96 1.02 0.00 -1.32 0.00 0.00 176.35 175.39 3mg1 s ALA 17 N 2.46 2.97 -1.50 5.97 0.00 -1.26 -1.28 121.76 129.11 3mg1 s ALA 17 Ca 0.11 0.17 -0.13 0.00 0.00 0.00 0.00 51.96 52.11 3mg1 s ALA 17 Cb -0.23 -3.14 0.01 0.00 0.00 0.00 0.00 23.12 19.76 3mg1 s ALA 17 CO 0.08 -0.53 2.42 0.00 0.00 0.00 0.00 175.76 177.74 3mg1 n ALA 18 N -2.03 6.11 1.12 0.00 0.00 0.32 -4.30 120.51 121.73 3mg1 n ALA 18 Ca 0.07 -3.80 0.09 0.00 0.00 0.00 0.00 53.44 49.81 3mg1 n ALA 18 Cb 0.54 -3.48 0.54 0.00 0.00 0.00 0.00 19.45 17.05 3mg1 n ALA 18 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3mg1 n ASP 19 N 5.35 0.00 0.28 0.00 5.75 -1.26 -1.42 116.55 125.25 3mg1 n ASP 19 Ca 0.59 -0.45 0.13 0.00 -0.01 0.00 0.00 54.79 55.05 3mg1 n ASP 19 Cb 0.35 -0.07 0.83 0.00 -1.03 0.00 0.00 41.12 41.20 3mg1 n ASP 19 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 3mg1 h VAL 20 N 0.00 0.61 0.73 2.12 3.04 -1.99 -1.78 116.25 118.98 3mg1 h VAL 20 Ca 0.00 -0.15 -0.04 0.00 -1.01 0.00 0.00 66.70 65.50 3mg1 h VAL 20 Cb 0.04 1.09 0.01 0.00 -2.01 0.00 0.00 31.29 30.42 3mg1 h VAL 20 CO 0.00 0.04 -0.35 0.58 -1.01 0.00 0.00 177.57 176.82 3mg1 h VAL 21 N 0.00 0.13 0.00 1.51 2.07 -1.62 0.11 116.25 118.45 3mg1 h VAL 21 Ca -0.00 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 3mg1 h VAL 21 Cb 0.09 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 3mg1 h VAL 21 CO 0.00 0.01 -0.26 1.55 0.02 0.00 0.00 177.57 178.90 3mg1 h PRO 22 N -1.18 0.00 -0.40 1.57 0.13 -1.75 -0.93 132.00 129.45 3mg1 h PRO 22 Ca -0.10 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.03 3mg1 h PRO 22 Cb 0.78 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.89 3mg1 h PRO 22 CO 0.17 0.26 0.24 0.00 -0.23 0.00 0.00 178.00 178.44 3mg1 h ALA 23 N 1.74 0.51 -0.49 -0.56 0.00 -1.22 -1.18 119.26 118.06 3mg1 h ALA 23 Ca -0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 3mg1 h ALA 23 Cb 0.49 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3mg1 h ALA 23 CO 0.03 -0.00 -0.18 1.15 0.00 0.00 0.00 179.25 180.26 3mg1 h THR 24 N 0.52 1.27 -0.81 0.00 2.02 -0.11 -2.18 112.91 113.61 3mg1 h THR 24 Ca 0.14 -1.33 -0.02 0.00 0.77 0.00 0.00 66.41 65.97 3mg1 h THR 24 Cb -0.00 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 3mg1 h THR 24 CO -0.03 0.46 0.44 0.40 0.37 0.00 0.00 175.52 177.17 3mg1 h ILE 25 N 0.83 1.24 -0.67 3.11 2.04 -1.08 0.28 117.51 123.25 3mg1 h ILE 25 Ca 0.12 -0.60 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 3mg1 h ILE 25 Cb 0.75 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 3mg1 h ILE 25 CO 0.06 0.27 0.28 0.00 0.00 0.00 0.00 178.15 178.76 3mg1 h ALA 26 N 1.35 0.87 -0.34 1.87 0.00 -0.94 0.27 119.26 122.33 3mg1 h ALA 26 Ca 0.29 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3mg1 h ALA 26 Cb 0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3mg1 h ALA 26 CO -0.05 0.48 -0.01 0.00 0.00 0.00 0.00 179.25 179.67 3mg1 h ARG 27 N 0.95 0.62 -0.75 0.00 3.08 -0.88 -2.93 114.38 114.47 3mg1 h ARG 27 Ca 0.23 -0.20 0.08 0.00 0.07 0.00 0.00 59.98 60.15 3mg1 h ARG 27 Cb 0.19 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.12 3mg1 h ARG 27 CO -0.02 0.74 0.42 0.35 -1.07 0.00 0.00 179.97 180.39 3mg1 h PHE 28 N 0.42 0.76 0.00 3.04 3.57 -0.71 -2.35 116.94 121.67 3mg1 h PHE 28 Ca 0.10 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.62 3mg1 h PHE 28 Cb 0.48 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.99 3mg1 h PHE 28 CO 0.04 0.32 0.00 0.77 -2.23 0.00 0.00 178.31 177.21 3mg1 h SER 29 N 0.73 0.00 1.61 0.41 0.02 -0.76 -1.66 113.55 113.90 3mg1 h SER 29 Ca 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 3mg1 h SER 29 Cb 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 3mg1 h SER 29 CO -0.23 0.00 0.00 1.56 -1.14 0.00 0.00 176.83 177.02 3mg1 h GLN 30 N 0.00 0.00 -7.23 3.45 1.08 -1.35 -3.47 115.11 107.59 3mg1 h GLN 30 Ca 0.00 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.70 3mg1 h GLN 30 Cb 0.23 0.00 0.08 0.00 -0.05 0.00 0.00 27.48 27.74 3mg1 h GLN 30 CO 0.00 0.00 0.37 -0.51 -0.95 0.00 0.00 178.83 177.74 3mg1 s LEU 31 N -6.01 3.39 0.40 1.46 1.43 -0.63 -4.99 118.68 113.74 3mg1 s LEU 31 Ca 0.05 1.82 -0.26 0.00 -1.03 0.00 0.00 54.13 54.72 3mg1 s LEU 31 Cb 0.07 -4.53 -0.10 0.00 0.03 0.00 0.00 46.19 41.66 3mg1 s LEU 31 CO 0.62 -1.35 1.22 -3.20 0.23 0.00 0.00 176.35 173.87 3mg1 n ASN 32 N -2.37 2.33 -0.26 2.29 5.15 -1.26 -4.76 115.26 116.38 3mg1 n ASN 32 Ca 0.09 1.11 -0.01 0.00 -0.60 0.00 0.00 54.58 55.17 3mg1 n ASN 32 Cb 0.53 -1.47 0.11 0.00 -0.53 0.00 0.00 39.78 38.42 3mg1 n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3mg1 h ALA 33 N 2.06 0.99 -0.20 5.20 0.00 -1.94 0.17 119.26 125.54 3mg1 h ALA 33 Ca -0.47 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 3mg1 h ALA 33 Cb 1.30 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3mg1 h ALA 33 CO 0.60 0.16 -0.12 1.49 0.00 0.00 0.00 179.25 181.38 3mg1 h GLU 34 N 0.82 0.32 -0.47 0.00 4.57 -1.94 -0.80 114.58 117.07 3mg1 h GLU 34 Ca 0.32 -0.08 -0.09 0.00 -1.18 0.00 0.00 59.36 58.33 3mg1 h GLU 34 Cb 0.14 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 3mg1 h GLU 34 CO -0.16 0.45 -0.07 -0.44 -1.18 0.00 0.00 179.01 177.60 3mg1 h ASP 35 N 0.30 0.88 -0.30 1.04 3.45 -1.54 -1.03 116.42 119.22 3mg1 h ASP 35 Ca 0.06 -0.34 0.02 0.00 0.43 0.00 0.00 57.03 57.20 3mg1 h ASP 35 Cb 0.40 -0.24 -0.03 0.00 -0.56 0.00 0.00 39.33 38.90 3mg1 h ASP 35 CO 0.02 1.02 0.13 1.56 -1.57 0.00 0.00 179.24 180.40 3mg1 h GLN 36 N 0.74 0.27 -0.40 3.56 4.20 -0.34 0.41 115.11 123.55 3mg1 h GLN 36 Ca 0.13 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.77 3mg1 h GLN 36 Cb 0.61 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 3mg1 h GLN 36 CO 0.04 0.18 0.08 -0.07 -0.67 0.00 0.00 178.83 178.38 3mg1 h LEU 37 N 0.28 0.63 -0.47 1.46 3.38 -1.04 -2.01 115.31 117.53 3mg1 h LEU 37 Ca 0.13 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 3mg1 h LEU 37 Cb 0.06 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3mg1 h LEU 37 CO -0.10 0.72 0.07 0.00 0.09 0.00 0.00 178.44 179.21 3mg1 h ALA 38 N 0.93 0.63 -0.36 1.53 0.00 -1.05 -0.81 119.26 120.14 3mg1 h ALA 38 Ca 0.12 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.82 3mg1 h ALA 38 Cb 0.35 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3mg1 h ALA 38 CO 0.01 0.37 0.17 1.25 0.00 0.00 0.00 179.25 181.05 3mg1 h LEU 39 N 0.66 0.25 -0.62 0.00 6.46 -0.83 0.73 115.31 121.96 3mg1 h LEU 39 Ca 0.14 0.02 -0.07 0.00 -0.12 0.00 0.00 57.88 57.85 3mg1 h LEU 39 Cb 0.40 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.28 3mg1 h LEU 39 CO 0.01 0.19 0.10 0.40 -0.62 0.00 0.00 178.44 178.52 3mg1 h ILE 40 N 0.36 1.26 -0.39 4.05 2.04 -1.22 0.15 117.51 123.76 3mg1 h ILE 40 Ca 0.15 -1.02 0.06 0.00 1.00 0.00 0.00 64.86 65.06 3mg1 h ILE 40 Cb 0.07 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 36.80 3mg1 h ILE 40 CO -0.11 0.38 0.08 -0.25 0.00 0.00 0.00 178.15 178.24 3mg1 h TRP 41 N 0.95 0.13 -0.40 1.37 2.91 -0.56 0.22 115.95 120.57 3mg1 h TRP 41 Ca 0.19 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.21 3mg1 h TRP 41 Cb 0.44 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.07 3mg1 h TRP 41 CO 0.03 0.02 0.18 0.74 -1.03 0.00 0.00 178.44 178.38 3mg1 h PHE 42 N 0.21 0.59 -0.41 2.65 0.04 -0.44 -0.76 116.94 118.82 3mg1 h PHE 42 Ca 0.19 -0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.90 3mg1 h PHE 42 Cb 0.22 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.17 3mg1 h PHE 42 CO -0.20 0.50 0.17 0.00 -0.60 0.00 0.00 178.31 178.18 3mg1 h ALA 43 N 1.02 0.53 -0.06 2.45 0.00 -0.48 -1.92 119.26 120.81 3mg1 h ALA 43 Ca 0.13 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3mg1 h ALA 43 Cb 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3mg1 h ALA 43 CO -0.01 0.13 -0.02 -0.92 0.00 0.00 0.00 179.25 178.43 3mg1 h TYR 44 N 0.52 -0.04 -0.35 0.00 3.20 -0.44 0.42 116.97 120.27 3mg1 h TYR 44 Ca 0.14 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.01 3mg1 h TYR 44 Cb 0.18 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 3mg1 h TYR 44 CO -0.00 -0.03 0.22 -0.07 -1.64 0.00 0.00 178.16 176.64 3mg1 h LEU 45 N -0.01 0.40 -0.45 2.82 3.38 -1.01 -1.08 115.31 119.36 3mg1 h LEU 45 Ca 0.03 -0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 3mg1 h LEU 45 Cb 0.05 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3mg1 h LEU 45 CO -0.06 0.31 -0.69 -0.33 0.09 0.00 0.00 178.44 177.76 3mg1 h GLU 46 N 0.47 0.40 -0.22 1.13 4.39 -1.20 -2.96 114.58 116.58 3mg1 h GLU 46 Ca 0.13 -0.31 -0.07 0.00 0.34 0.00 0.00 59.36 59.45 3mg1 h GLU 46 Cb -0.04 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3mg1 h GLU 46 CO -0.03 0.94 -0.17 0.52 -1.16 0.00 0.00 179.01 179.11 3mg1 h MET 47 N 0.28 0.37 0.00 2.33 2.86 -0.77 -2.74 114.93 117.27 3mg1 h MET 47 Ca -0.02 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 3mg1 h MET 47 Cb 1.25 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.87 3mg1 h MET 47 CO 0.12 0.54 0.00 0.41 1.06 0.00 0.00 176.91 179.04 3mg1 n GLY 48 N -0.64 -1.08 0.23 8.32 0.00 -0.42 -1.31 105.19 110.29 3mg1 n GLY 48 Ca -0.00 0.01 0.15 0.00 0.00 0.00 0.00 46.02 46.18 3mg1 n GLY 48 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mg1 h LYS 49 N 0.00 0.00 0.00 1.61 1.57 -1.52 -3.35 116.57 114.89 3mg1 h LYS 49 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3mg1 h LYS 49 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3mg1 h LYS 49 CO 0.00 0.00 -0.30 0.25 -0.57 0.00 0.00 179.45 178.83 3mg1 n THR 50 N -2.90 0.00 -4.48 -0.16 -2.24 -0.91 -5.05 114.28 98.55 3mg1 n THR 50 Ca 0.02 -0.09 -0.26 0.00 -2.27 0.00 0.00 64.05 61.45 3mg1 n THR 50 Cb 0.36 0.52 -0.17 0.00 -2.10 0.00 0.00 70.33 68.95 3mg1 n THR 50 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3mg1 s LEU 51 N -1.27 1.61 -0.21 3.22 1.43 -0.42 -5.13 118.68 117.92 3mg1 s LEU 51 Ca 0.00 -0.34 -0.10 0.00 -1.03 0.00 0.00 54.13 52.66 3mg1 s LEU 51 Cb 0.00 -0.91 -0.05 0.00 0.03 0.00 0.00 46.19 45.26 3mg1 s LEU 51 CO 0.00 0.01 0.13 0.42 0.23 0.00 0.00 176.35 177.14 3mg1 s THR 52 N 0.88 5.30 0.12 5.49 -4.23 -1.26 -4.06 115.64 117.88 3mg1 s THR 52 Ca -0.10 0.15 -0.30 0.00 -1.18 0.00 0.00 61.69 60.26 3mg1 s THR 52 Cb -0.15 -3.43 -0.07 0.00 1.34 0.00 0.00 72.50 70.19 3mg1 s THR 52 CO 0.01 0.41 1.15 -0.63 -0.54 0.00 0.00 174.62 175.03 3mg1 s ILE 53 N 0.58 3.94 0.60 2.99 -1.09 -1.26 -4.75 121.20 122.21 3mg1 s ILE 53 Ca 0.07 1.52 -0.19 0.00 -2.23 0.00 0.00 60.65 59.82 3mg1 s ILE 53 Cb -0.12 -3.97 -0.03 0.00 -1.58 0.00 0.00 42.46 36.76 3mg1 s ILE 53 CO 0.00 0.19 1.26 0.00 -1.23 0.00 0.00 174.94 175.16 3mg1 s ALA 54 N 0.41 2.54 0.33 9.38 0.00 0.35 -4.96 121.76 129.82 3mg1 s ALA 54 Ca 0.54 1.13 -0.29 0.00 0.00 0.00 0.00 51.96 53.34 3mg1 s ALA 54 Cb -0.30 -3.50 -0.10 0.00 0.00 0.00 0.00 23.12 19.22 3mg1 s ALA 54 CO 0.32 -1.33 1.30 0.00 0.00 0.00 0.00 175.76 176.06 3mg1 s ALA 55 N -1.47 3.49 0.51 0.00 0.00 -1.26 -4.97 121.76 118.05 3mg1 s ALA 55 Ca 0.78 1.26 -0.22 0.00 0.00 0.00 0.00 51.96 53.77 3mg1 s ALA 55 Cb -0.34 -3.48 -0.07 0.00 0.00 0.00 0.00 23.12 19.23 3mg1 s ALA 55 CO 0.38 -0.65 1.17 -2.30 0.00 0.00 0.00 175.76 174.36 3mg1 n PRO 56 N 0.77 1.48 -1.48 0.00 -0.02 -1.26 -4.97 135.00 129.52 3mg1 n PRO 56 Ca 0.00 0.54 -0.33 0.00 -2.02 0.00 0.00 63.50 61.69 3mg1 n PRO 56 Cb 0.42 -2.33 0.08 0.00 -0.02 0.00 0.00 33.50 31.65 3mg1 n PRO 56 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3mg1 s GLY 57 N -0.88 2.09 0.20 -1.23 0.00 -1.26 -4.84 107.32 101.40 3mg1 s GLY 57 Ca 0.69 0.60 -0.11 0.00 0.00 0.00 0.00 44.72 45.90 3mg1 s GLY 57 CO 0.52 0.98 1.81 0.00 0.00 0.00 0.00 173.10 176.41 3mg1 h ALA 58 N -0.44 0.81 -0.60 3.20 0.00 -1.99 -1.47 119.26 118.77 3mg1 h ALA 58 Ca -0.46 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 3mg1 h ALA 58 Cb 1.26 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 3mg1 h ALA 58 CO 0.51 0.03 0.26 0.00 0.00 0.00 0.00 179.25 180.06 3mg1 h ALA 59 N 1.31 0.78 -0.39 0.00 0.00 -2.00 -1.32 119.26 117.64 3mg1 h ALA 59 Ca 0.27 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3mg1 h ALA 59 Cb 0.13 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3mg1 h ALA 59 CO -0.16 0.38 0.23 1.03 0.00 0.00 0.00 179.25 180.73 3mg1 h SER 60 N 0.83 0.47 -0.93 0.00 0.87 -1.85 -2.05 113.55 110.90 3mg1 h SER 60 Ca 0.20 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 3mg1 h SER 60 Cb 0.17 -0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 61.97 3mg1 h SER 60 CO -0.02 0.40 0.60 0.24 -0.53 0.00 0.00 176.83 177.52 3mg1 h MET 61 N 0.51 1.24 -0.63 2.24 2.86 -0.91 -1.91 114.93 118.32 3mg1 h MET 61 Ca 0.14 -0.09 -0.07 0.00 -2.06 0.00 0.00 59.70 57.62 3mg1 h MET 61 Cb 0.02 -0.27 -0.03 0.00 0.06 0.00 0.00 31.60 31.38 3mg1 h MET 61 CO -0.02 0.84 0.11 0.37 1.06 0.00 0.00 176.91 179.26 3mg1 h GLN 62 N 1.27 1.02 0.00 1.72 5.75 -0.91 -1.48 115.11 122.48 3mg1 h GLN 62 Ca 0.34 -0.25 -0.06 0.00 -0.15 0.00 0.00 58.65 58.52 3mg1 h GLN 62 Cb -0.11 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.30 3mg1 h GLN 62 CO -0.07 0.93 -0.30 -0.07 -2.65 0.00 0.00 178.83 176.67 3mg1 h LEU 63 N 0.96 0.00 -0.88 -2.39 3.38 -0.65 -2.75 115.31 112.98 3mg1 h LEU 63 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3mg1 h LEU 63 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3mg1 h LEU 63 CO 0.01 0.30 -0.38 0.00 0.09 0.00 0.00 178.44 178.46 3mg1 n ALA 64 N -2.39 3.35 -0.10 1.53 0.00 -0.85 -4.60 120.51 117.44 3mg1 n ALA 64 Ca -0.02 -0.57 -0.08 0.00 0.00 0.00 0.00 53.44 52.78 3mg1 n ALA 64 Cb 0.38 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.92 3mg1 n ALA 64 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3mg1 h GLU 65 N 2.15 0.37 -0.36 0.00 4.81 -0.96 -1.36 114.58 119.24 3mg1 h GLU 65 Ca 0.00 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.24 3mg1 h GLU 65 Cb 0.68 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.95 3mg1 h GLU 65 CO 0.00 0.25 0.16 -0.91 -0.73 0.00 0.00 179.01 177.78 3mg1 h ASN 66 N 0.38 0.22 -0.58 1.04 -0.26 -1.81 0.51 115.58 115.08 3mg1 h ASN 66 Ca 0.14 0.03 -0.05 0.00 -0.56 0.00 0.00 56.30 55.85 3mg1 h ASN 66 Cb 0.03 -0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 37.25 3mg1 h ASN 66 CO -0.08 0.17 0.16 0.00 -1.06 0.00 0.00 177.43 176.61 3mg1 h ALA 67 N 1.20 0.76 -0.73 -0.83 0.00 -1.80 -1.87 119.26 115.99 3mg1 h ALA 67 Ca 0.16 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3mg1 h ALA 67 Cb 0.09 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3mg1 h ALA 67 CO -0.13 0.45 0.23 -0.07 0.00 0.00 0.00 179.25 179.73 3mg1 h LEU 68 N 0.82 1.06 -0.63 0.00 3.38 -0.89 -2.40 115.31 116.65 3mg1 h LEU 68 Ca 0.18 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3mg1 h LEU 68 Cb 0.32 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3mg1 h LEU 68 CO -0.00 0.98 0.11 0.11 0.09 0.00 0.00 178.44 179.73 3mg1 h LYS 69 N 1.09 1.03 -0.41 1.13 1.57 -0.64 -1.39 116.57 118.95 3mg1 h LYS 69 Ca 0.24 -0.27 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3mg1 h LYS 69 Cb 0.30 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 3mg1 h LYS 69 CO -0.01 0.96 0.25 0.93 -0.57 0.00 0.00 179.45 181.01 3mg1 h GLU 70 N 0.94 0.50 -0.64 3.15 5.08 -1.16 -1.47 114.58 120.98 3mg1 h GLU 70 Ca 0.19 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 3mg1 h GLU 70 Cb 0.42 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 3mg1 h GLU 70 CO 0.01 0.33 0.27 0.82 -1.00 0.00 0.00 179.01 179.44 3mg1 h ILE 71 N 0.51 1.23 0.00 3.13 2.04 -1.29 -2.67 117.51 120.46 3mg1 h ILE 71 Ca 0.16 -0.69 -0.03 0.00 1.00 0.00 0.00 64.86 65.29 3mg1 h ILE 71 Cb -0.02 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 3mg1 h ILE 71 CO -0.06 0.28 -0.15 1.56 0.00 0.00 0.00 178.15 179.78 3mg1 h GLN 72 N 0.89 0.00 0.00 2.37 4.20 -0.87 -2.21 115.11 119.49 3mg1 h GLN 72 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 3mg1 h GLN 72 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 3mg1 h GLN 72 CO -0.02 0.15 -0.14 0.00 -0.67 0.00 0.00 178.83 178.14 3mg1 h ALA 73 N 1.85 0.91 -2.33 3.87 0.00 -0.93 -3.46 119.26 119.17 3mg1 h ALA 73 Ca -0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 3mg1 h ALA 73 Cb 0.38 0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.24 3mg1 h ALA 73 CO 0.02 0.00 0.38 -1.64 0.00 0.00 0.00 179.25 178.01 3mg1 s MET 74 N -3.13 3.29 0.91 0.00 -1.94 -0.83 -5.05 119.30 112.56 3mg1 s MET 74 Ca 0.09 0.95 -0.12 0.00 -1.71 0.00 0.00 55.69 54.90 3mg1 s MET 74 Cb 0.12 -2.04 0.14 0.00 2.01 0.00 0.00 34.83 35.06 3mg1 s MET 74 CO 0.63 -0.82 1.09 0.20 -0.01 0.00 0.00 175.02 176.12 3mg1 s GLY 75 N -3.62 1.60 0.20 -0.03 0.00 -1.26 -4.76 107.32 99.45 3mg1 s GLY 75 Ca 0.58 -0.17 -0.11 0.00 0.00 0.00 0.00 44.72 45.02 3mg1 s GLY 75 CO 0.49 0.34 1.83 -2.55 0.00 0.00 0.00 173.10 173.22 3mg1 h PRO 76 N -1.58 0.75 -0.83 2.90 0.11 -1.96 -0.85 132.00 130.54 3mg1 h PRO 76 Ca -0.50 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.54 3mg1 h PRO 76 Cb 1.30 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 32.20 3mg1 h PRO 76 CO 0.56 0.50 0.42 -0.07 -0.21 0.00 0.00 178.00 179.20 3mg1 h LEU 77 N 0.78 1.06 -0.64 2.35 3.38 -2.00 -1.60 115.31 118.63 3mg1 h LEU 77 Ca 0.26 -0.11 -0.15 0.00 0.09 0.00 0.00 57.88 57.97 3mg1 h LEU 77 Cb 0.04 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3mg1 h LEU 77 CO -0.11 0.88 -0.57 1.56 0.09 0.00 0.00 178.44 180.29 3mg1 h GLN 78 N 1.17 0.33 -0.32 1.13 7.50 -1.78 -1.76 115.11 121.38 3mg1 h GLN 78 Ca 0.29 -0.21 -0.03 0.00 0.50 0.00 0.00 58.65 59.20 3mg1 h GLN 78 Cb 0.08 0.03 -0.01 0.00 0.05 0.00 0.00 27.48 27.62 3mg1 h GLN 78 CO -0.04 0.81 0.10 1.96 -1.50 0.00 0.00 178.83 180.16 3mg1 h GLN 79 N 0.25 0.50 -0.70 1.46 4.20 -0.69 -0.06 115.11 120.07 3mg1 h GLN 79 Ca 0.00 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 3mg1 h GLN 79 Cb 1.07 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.75 3mg1 h GLN 79 CO 0.09 0.54 0.37 1.15 -0.67 0.00 0.00 178.83 180.32 3mg1 h THR 80 N 0.37 1.22 -0.73 -0.54 2.02 -1.23 -2.16 112.91 111.86 3mg1 h THR 80 Ca 0.10 -0.57 -0.03 0.00 0.77 0.00 0.00 66.41 66.68 3mg1 h THR 80 Cb 0.25 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 3mg1 h THR 80 CO -0.00 0.25 0.33 -0.61 0.37 0.00 0.00 175.52 175.85 3mg1 h GLN 81 N 0.97 1.06 -0.83 6.66 5.75 -1.04 -0.88 115.11 126.80 3mg1 h GLN 81 Ca 0.25 -0.17 0.01 0.00 -0.15 0.00 0.00 58.65 58.58 3mg1 h GLN 81 Cb 0.06 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 28.38 3mg1 h GLN 81 CO -0.04 0.84 0.54 0.00 -2.65 0.00 0.00 178.83 177.53 3mg1 h ALA 82 N 1.16 1.05 -0.44 3.38 0.00 -0.70 0.17 119.26 123.88 3mg1 h ALA 82 Ca 0.25 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 3mg1 h ALA 82 Cb 0.15 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3mg1 h ALA 82 CO -0.03 0.47 -0.25 0.52 0.00 0.00 0.00 179.25 179.96 3mg1 h MET 83 N 1.13 0.93 -0.61 0.00 2.86 -0.99 -2.40 114.93 115.84 3mg1 h MET 83 Ca 0.30 -0.41 -0.05 0.00 -2.06 0.00 0.00 59.70 57.48 3mg1 h MET 83 Cb -0.12 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.49 3mg1 h MET 83 CO -0.06 1.07 0.18 0.00 1.06 0.00 0.00 176.91 179.15 3mg1 h ASP 85 N 0.91 0.24 -0.28 0.00 3.32 -0.37 0.69 116.42 120.94 3mg1 h ASP 85 Ca 0.20 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 3mg1 h ASP 85 Cb 0.28 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3mg1 h ASP 85 CO -0.01 0.18 0.17 -0.07 -1.72 0.00 0.00 179.24 177.79 3mg1 h LEU 86 N 0.38 0.33 -0.95 1.55 3.38 -1.10 -1.12 115.31 117.78 3mg1 h LEU 86 Ca 0.20 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 3mg1 h LEU 86 Cb 0.15 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3mg1 h LEU 86 CO -0.17 0.27 0.10 0.00 0.09 0.00 0.00 178.44 178.73 3mg1 h ALA 87 N 1.07 1.14 0.00 1.53 0.00 -0.95 -0.38 119.26 121.68 3mg1 h ALA 87 Ca 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3mg1 h ALA 87 Cb -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3mg1 h ALA 87 CO -0.02 0.57 0.00 0.09 0.00 0.00 0.00 179.25 179.89 3mg1 n ASN 88 N -4.25 0.00 -3.72 0.00 3.02 0.20 -4.86 115.26 105.65 3mg1 n ASN 88 Ca 0.04 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.33 3mg1 n ASN 88 Cb 0.25 -0.33 0.06 0.00 -0.61 0.00 0.00 39.78 39.15 3mg1 n ASN 88 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3mg1 n ARG 89 N -1.33 -7.00 -1.74 3.52 1.74 -0.72 -4.96 116.66 106.17 3mg1 n ARG 89 Ca 0.12 0.74 -0.33 0.00 -0.77 0.00 0.00 57.85 57.61 3mg1 n ARG 89 Cb 0.25 -5.73 0.05 0.00 -1.02 0.00 0.00 32.46 26.01 3mg1 n ARG 89 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3mg1 s ALA 90 N -3.32 2.47 -0.74 7.54 0.00 -0.50 -4.63 121.76 122.58 3mg1 s ALA 90 Ca 0.60 0.51 -0.22 0.00 0.00 0.00 0.00 51.96 52.85 3mg1 s ALA 90 Cb -0.28 -3.31 0.08 0.00 0.00 0.00 0.00 23.12 19.61 3mg1 s ALA 90 CO 0.77 -1.28 1.06 0.34 0.00 0.00 0.00 175.76 176.65 3mg1 s ASP 91 N -2.66 6.28 0.12 0.00 -1.08 -1.26 -4.34 116.67 113.73 3mg1 s ASP 91 Ca 0.66 -1.17 0.01 0.00 -0.52 0.00 0.00 52.55 51.54 3mg1 s ASP 91 Cb -0.20 -2.44 -0.04 0.00 -1.46 0.00 0.00 42.92 38.78 3mg1 s ASP 91 CO 0.42 -1.42 -0.01 0.42 0.52 0.00 0.00 175.17 175.10 3mg1 s THR 92 N 4.04 0.52 0.20 1.71 -4.23 -1.26 -5.02 115.64 111.60 3mg1 s THR 92 Ca 0.27 -1.93 -0.10 0.00 -1.18 0.00 0.00 61.69 58.75 3mg1 s THR 92 Cb -0.13 -1.88 0.13 0.00 1.34 0.00 0.00 72.50 71.96 3mg1 s THR 92 CO 0.06 -0.68 1.76 -0.65 -0.54 0.00 0.00 174.62 174.57 3mg1 h PRO 93 N 2.88 0.46 -0.95 3.99 0.11 -1.99 0.07 132.00 136.57 3mg1 h PRO 93 Ca -0.36 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.73 3mg1 h PRO 93 Cb 1.18 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.14 3mg1 h PRO 93 CO 0.63 0.30 0.61 1.25 -0.21 0.00 0.00 178.00 180.59 3mg1 h LEU 94 N 0.47 1.10 -0.87 2.35 5.85 -1.97 -0.46 115.31 121.78 3mg1 h LEU 94 Ca 0.29 -0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.86 3mg1 h LEU 94 Cb 0.30 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3mg1 h LEU 94 CO -0.26 0.81 -0.36 0.00 -0.34 0.00 0.00 178.44 178.29 3mg1 h ARG 96 N 0.33 0.81 -0.10 0.00 3.08 -0.60 -1.37 114.38 116.53 3mg1 h ARG 96 Ca 0.04 -0.46 0.00 0.00 0.07 0.00 0.00 59.98 59.63 3mg1 h ARG 96 Cb 0.79 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.87 3mg1 h ARG 96 CO 0.06 1.09 0.07 1.15 -1.07 0.00 0.00 179.97 181.27 3mg1 h THR 97 N 0.58 1.03 -0.64 2.04 2.02 -0.93 -2.53 112.91 114.48 3mg1 h THR 97 Ca 0.04 -0.05 0.08 0.00 0.77 0.00 0.00 66.41 67.24 3mg1 h THR 97 Cb 0.99 0.89 -0.06 0.00 -1.74 0.00 0.00 68.15 68.22 3mg1 h THR 97 CO 0.09 0.03 0.31 0.22 0.37 0.00 0.00 175.52 176.54 3mg1 h TYR 98 N 0.13 0.56 0.00 3.16 3.20 -1.07 -1.58 116.97 121.37 3mg1 h TYR 98 Ca 0.04 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 3mg1 h TYR 98 Cb -0.01 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.10 3mg1 h TYR 98 CO -0.07 0.22 -0.10 0.00 -1.64 0.00 0.00 178.16 176.57 3mg1 h ALA 99 N 1.38 1.18 0.00 1.82 0.00 -1.03 -1.80 119.26 120.82 3mg1 h ALA 99 Ca 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3mg1 h ALA 99 Cb 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3mg1 h ALA 99 CO -0.24 0.13 0.00 -1.13 0.00 0.00 0.00 179.25 178.00 3mg1 n SER 100 N -3.47 0.41 -4.84 0.00 3.41 -0.60 -4.86 113.62 103.67 3mg1 n SER 100 Ca -0.01 0.56 -0.34 0.00 -0.26 0.00 0.00 58.87 58.82 3mg1 n SER 100 Cb 0.25 -0.67 -0.06 0.00 -0.26 0.00 0.00 64.21 63.47 3mg1 n SER 100 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 3mg1 s TRP 101 N -3.11 3.46 0.81 7.33 0.51 -0.68 -0.21 118.94 127.05 3mg1 s TRP 101 Ca 0.09 1.24 -0.10 0.00 -2.12 0.00 0.00 56.10 55.21 3mg1 s TRP 101 Cb 0.13 -2.54 0.08 0.00 -0.81 0.00 0.00 33.47 30.33 3mg1 s TRP 101 CO 0.47 0.19 1.10 -1.54 -0.51 0.00 0.00 176.95 176.66 3mg1 s SER 102 N -2.08 4.13 0.26 2.95 1.04 -0.03 -4.80 113.70 115.17 3mg1 s SER 102 Ca 0.50 1.89 -0.01 0.00 0.48 0.00 0.00 55.95 58.81 3mg1 s SER 102 Cb -0.12 -2.52 0.51 0.00 0.10 0.00 0.00 66.02 63.98 3mg1 s SER 102 CO 0.19 -2.29 1.80 -0.65 0.98 0.00 0.00 173.24 173.27 3mg1 h PRO 103 N -1.30 0.76 -0.48 4.02 0.11 -1.91 -1.83 132.00 131.36 3mg1 h PRO 103 Ca -0.44 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 3mg1 h PRO 103 Cb 1.24 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 3mg1 h PRO 103 CO 0.49 0.51 0.23 -0.91 -0.21 0.00 0.00 178.00 178.11 3mg1 h ASN 104 N 0.79 0.60 -0.28 -2.05 2.35 -1.92 0.41 115.58 115.48 3mg1 h ASN 104 Ca 0.46 -0.05 -0.19 0.00 -0.55 0.00 0.00 56.30 55.97 3mg1 h ASN 104 Cb 0.53 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.75 3mg1 h ASN 104 CO -0.30 0.52 -0.55 0.40 -1.65 0.00 0.00 177.43 175.85 3mg1 h ILE 105 N 0.68 1.27 -0.56 2.81 2.04 -1.71 -1.35 117.51 120.70 3mg1 h ILE 105 Ca 0.17 -1.73 0.00 0.00 1.00 0.00 0.00 64.86 64.31 3mg1 h ILE 105 Cb 0.07 1.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 3mg1 h ILE 105 CO -0.02 0.56 0.37 0.11 0.00 0.00 0.00 178.15 179.17 3mg1 h LYS 106 N 0.65 0.74 -0.71 2.37 1.57 -1.00 -1.14 116.57 119.05 3mg1 h LYS 106 Ca 0.01 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 3mg1 h LYS 106 Cb 1.16 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 33.27 3mg1 h LYS 106 CO 0.12 0.49 0.19 -0.07 -0.57 0.00 0.00 179.45 179.61 3mg1 h LEU 107 N 0.75 1.06 -1.02 2.94 3.38 -0.81 -2.50 115.31 119.11 3mg1 h LEU 107 Ca 0.20 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 3mg1 h LEU 107 Cb -0.08 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.38 3mg1 h LEU 107 CO -0.04 1.00 -0.26 1.23 0.09 0.00 0.00 178.44 180.46 3mg1 h GLY 108 N 1.06 0.42 0.95 0.83 0.00 -0.97 -0.41 103.07 104.94 3mg1 h GLY 108 Ca 0.22 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 3mg1 h GLY 108 CO -0.00 0.31 0.02 -2.75 0.00 0.00 0.00 176.54 174.12 3mg1 h PHE 109 N 0.35 0.04 -0.09 5.60 3.57 -0.94 -1.98 116.94 123.49 3mg1 h PHE 109 Ca 0.05 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.44 3mg1 h PHE 109 Cb 0.64 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 3mg1 h PHE 109 CO 0.02 0.09 -0.46 -1.49 -2.23 0.00 0.00 178.31 174.23 3mg1 h TRP 110 N -0.01 0.27 -0.57 0.41 4.06 -1.23 -1.63 115.95 117.24 3mg1 h TRP 110 Ca 0.01 -0.08 0.06 0.00 2.06 0.00 0.00 58.89 60.94 3mg1 h TRP 110 Cb 0.05 -0.06 -0.05 0.00 -1.00 0.00 0.00 29.16 28.10 3mg1 h TRP 110 CO -0.06 0.65 0.28 -0.92 -3.56 0.00 0.00 178.44 174.83 3mg1 h TYR 111 N 0.18 0.50 -0.22 0.49 3.20 -0.89 0.57 116.97 120.81 3mg1 h TYR 111 Ca 0.01 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.77 3mg1 h TYR 111 Cb 0.89 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 39.02 3mg1 h TYR 111 CO 0.01 0.22 -0.38 -0.09 -1.64 0.00 0.00 178.16 176.29 3mg1 h ARG 112 N 0.52 0.64 -0.79 1.82 9.65 -1.07 -2.40 114.38 122.75 3mg1 h ARG 112 Ca 0.26 -0.40 0.02 0.00 -1.10 0.00 0.00 59.98 58.77 3mg1 h ARG 112 Cb 0.21 0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.79 3mg1 h ARG 112 CO -0.20 1.01 0.52 -0.07 2.80 0.00 0.00 179.97 184.03 3mg1 h LEU 113 N 0.34 0.87 -0.59 3.80 3.38 -1.06 -0.97 115.31 121.07 3mg1 h LEU 113 Ca 0.02 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3mg1 h LEU 113 Cb 0.97 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 3mg1 h LEU 113 CO 0.09 0.61 0.35 1.23 0.09 0.00 0.00 178.44 180.80 3mg1 h GLY 114 N 1.01 0.87 1.01 0.83 0.00 -0.69 0.12 103.07 106.22 3mg1 h GLY 114 Ca 0.31 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 3mg1 h GLY 114 CO -0.08 0.36 0.34 0.83 0.00 0.00 0.00 176.54 177.98 3mg1 h GLU 115 N 0.80 1.00 -0.15 4.80 5.08 -0.90 -1.74 114.58 123.48 3mg1 h GLU 115 Ca 0.21 -0.15 -0.14 0.00 -1.00 0.00 0.00 59.36 58.29 3mg1 h GLU 115 Cb -0.00 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 3mg1 h GLU 115 CO -0.04 0.79 -0.50 -0.07 -1.00 0.00 0.00 179.01 178.19 3mg1 h LEU 116 N 0.97 0.45 -0.48 1.33 3.38 -0.67 -2.44 115.31 117.86 3mg1 h LEU 116 Ca 0.24 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 3mg1 h LEU 116 Cb 0.12 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3mg1 h LEU 116 CO -0.03 0.87 -0.13 0.24 0.09 0.00 0.00 178.44 179.48 3mg1 h MET 117 N 0.33 0.93 -0.63 1.13 2.86 -0.57 -0.45 114.93 118.53 3mg1 h MET 117 Ca 0.01 -0.36 0.07 0.00 -2.06 0.00 0.00 59.70 57.36 3mg1 h MET 117 Cb 0.99 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.57 3mg1 h MET 117 CO 0.09 1.02 0.42 1.49 1.06 0.00 0.00 176.91 180.99 3mg1 h GLU 118 N 0.78 0.58 0.00 1.72 4.57 -1.14 -1.77 114.58 119.31 3mg1 h GLU 118 Ca 0.12 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 3mg1 h GLU 118 Cb 0.69 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 3mg1 h GLU 118 CO 0.05 0.38 -0.35 1.04 -1.18 0.00 0.00 179.01 178.95 3mg1 n GLN 119 N -4.48 0.02 -0.84 1.92 6.02 -0.93 -4.94 117.38 114.15 3mg1 n GLN 119 Ca 0.09 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 3mg1 n GLN 119 Cb 0.26 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 30.00 3mg1 n GLN 119 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3mg1 n GLY 120 N 1.49 0.52 0.06 1.08 0.00 -0.54 -4.93 105.19 102.87 3mg1 n GLY 120 Ca 0.06 -0.53 0.11 0.00 0.00 0.00 0.00 46.02 45.67 3mg1 n GLY 120 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3mg1 n PHE 121 N -2.84 0.48 -4.50 1.61 3.72 -0.29 -4.81 117.46 110.84 3mg1 n PHE 121 Ca 0.00 0.14 -0.22 0.00 -0.05 0.00 0.00 57.45 57.32 3mg1 n PHE 121 Cb 0.00 -0.62 -0.14 0.00 -0.94 0.00 0.00 39.48 37.79 3mg1 n PHE 121 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3mg1 s VAL 122 N -3.25 1.32 0.07 -4.37 1.01 -1.14 -4.95 120.40 109.10 3mg1 s VAL 122 Ca 0.03 -1.03 -0.34 0.00 0.00 0.00 0.00 61.98 60.64 3mg1 s VAL 122 Cb 0.13 -1.17 -0.13 0.00 0.00 0.00 0.00 36.38 35.22 3mg1 s VAL 122 CO 0.78 0.12 1.72 0.00 0.00 0.00 0.00 175.10 177.72 3mg1 n ALA 123 N 1.98 1.32 -1.93 5.51 0.00 -1.26 -4.24 120.51 121.88 3mg1 n ALA 123 Ca -0.17 0.37 -0.26 0.00 0.00 0.00 0.00 53.44 53.38 3mg1 n ALA 123 Cb 0.54 -2.44 0.09 0.00 0.00 0.00 0.00 19.45 17.65 3mg1 n ALA 123 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3mg1 s PRO 124 N 2.24 1.90 0.23 0.00 0.02 -1.26 -4.87 135.00 133.26 3mg1 s PRO 124 Ca 0.84 -0.32 -0.32 0.00 0.02 0.00 0.00 61.00 61.22 3mg1 s PRO 124 Cb -0.66 -2.11 -0.12 0.00 0.02 0.00 0.00 34.50 31.63 3mg1 s PRO 124 CO 0.42 -1.47 1.66 -0.89 -0.33 0.00 0.00 177.00 176.40 3mg1 n ILE 125 N -3.08 0.36 -1.56 2.83 2.08 -1.26 -4.89 119.36 113.83 3mg1 n ILE 125 Ca 0.10 -0.09 -0.44 0.00 0.56 0.00 0.00 62.75 62.87 3mg1 n ILE 125 Cb 0.60 -1.93 -0.01 0.00 -0.75 0.00 0.00 39.64 37.55 3mg1 n ILE 125 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 3mg1 n PRO 126 N 3.28 1.16 -1.72 0.38 -0.02 -1.26 -4.84 135.00 131.99 3mg1 n PRO 126 Ca 0.14 0.41 -0.42 0.00 -2.02 0.00 0.00 63.50 61.60 3mg1 n PRO 126 Cb 0.35 -1.75 -0.03 0.00 -0.02 0.00 0.00 33.50 32.04 3mg1 n PRO 126 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mg1 n ALA 127 N 0.06 2.79 -1.11 3.55 0.00 -1.26 -2.29 120.51 122.25 3mg1 n ALA 127 Ca 0.10 0.40 -0.04 0.00 0.00 0.00 0.00 53.44 53.90 3mg1 n ALA 127 Cb 0.32 -2.52 -0.02 0.00 0.00 0.00 0.00 19.45 17.23 3mg1 n ALA 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mg1 n GLY 128 N 3.97 0.68 3.70 0.00 0.00 -1.26 -4.97 105.19 107.30 3mg1 n GLY 128 Ca 0.16 -0.57 -0.44 0.00 0.00 0.00 0.00 46.02 45.17 3mg1 n GLY 128 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3mg1 n TYR 129 N -2.81 2.47 -4.65 1.61 9.36 -0.97 -5.00 117.16 117.18 3mg1 n TYR 129 Ca -0.04 0.27 -0.33 0.00 3.32 0.00 0.00 57.90 61.12 3mg1 n TYR 129 Cb 0.17 -2.56 -0.13 0.00 -0.63 0.00 0.00 39.34 36.19 3mg1 n TYR 129 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 3mg1 s GLN 130 N 0.26 3.38 0.62 2.98 -1.52 -1.26 -5.10 119.66 119.02 3mg1 s GLN 130 Ca 0.72 -0.62 -0.17 0.00 -1.95 0.00 0.00 55.36 53.33 3mg1 s GLN 130 Cb -0.59 -2.71 -0.02 0.00 -0.22 0.00 0.00 33.01 29.47 3mg1 s GLN 130 CO 0.43 0.28 1.17 -0.51 -0.25 0.00 0.00 175.29 176.41 3mg1 s LEU 131 N 0.20 3.55 1.06 2.90 1.43 -1.26 -5.03 118.68 121.53 3mg1 s LEU 131 Ca -0.06 2.26 -0.12 0.00 -1.03 0.00 0.00 54.13 55.18 3mg1 s LEU 131 Cb -0.15 -4.58 0.22 0.00 0.03 0.00 0.00 46.19 41.71 3mg1 s LEU 131 CO 0.04 -1.66 1.07 -0.94 0.23 0.00 0.00 176.35 175.10 3mg1 s SER 132 N -1.93 1.87 0.15 2.29 1.04 -1.26 -4.68 113.70 111.18 3mg1 s SER 132 Ca 0.74 1.69 -0.17 0.00 0.48 0.00 0.00 55.95 58.69 3mg1 s SER 132 Cb -0.27 -2.35 0.04 0.00 0.10 0.00 0.00 66.02 63.54 3mg1 s SER 132 CO 0.36 -3.67 1.75 0.00 0.98 0.00 0.00 173.24 172.65 3mg1 h ALA 133 N -2.26 0.36 -0.40 5.32 0.00 -2.00 0.28 119.26 120.55 3mg1 h ALA 133 Ca -0.55 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.31 3mg1 h ALA 133 Cb 1.31 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 3mg1 h ALA 133 CO 0.49 -0.30 -0.13 -0.91 0.00 0.00 0.00 179.25 178.39 3mg1 h ASN 134 N 0.23 0.72 -0.42 0.00 4.21 -2.00 -2.97 115.58 115.35 3mg1 h ASN 134 Ca 0.15 -0.22 -0.14 0.00 1.21 0.00 0.00 56.30 57.30 3mg1 h ASN 134 Cb 0.13 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.12 3mg1 h ASN 134 CO -0.16 0.88 -0.27 0.00 -1.29 0.00 0.00 177.43 176.58 3mg1 h ALA 135 N 1.19 0.60 -0.94 -0.83 0.00 -1.73 -1.97 119.26 115.57 3mg1 h ALA 135 Ca 0.11 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 3mg1 h ALA 135 Cb 0.60 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 3mg1 h ALA 135 CO 0.04 0.62 0.58 -0.97 0.00 0.00 0.00 179.25 179.53 3mg1 h ASN 136 N 0.75 1.12 -0.60 0.00 -0.73 -0.92 -1.21 115.58 114.00 3mg1 h ASN 136 Ca 0.08 -0.06 -0.08 0.00 1.87 0.00 0.00 56.30 58.11 3mg1 h ASN 136 Cb 0.86 -0.28 -0.02 0.00 0.27 0.00 0.00 38.32 39.14 3mg1 h ASN 136 CO 0.08 0.85 0.06 0.00 -0.37 0.00 0.00 177.43 178.05 3mg1 h ALA 137 N 1.32 0.94 -0.51 1.57 0.00 -1.35 -1.24 119.26 119.99 3mg1 h ALA 137 Ca 0.34 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3mg1 h ALA 137 Cb -0.08 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3mg1 h ALA 137 CO -0.07 0.65 0.25 0.28 0.00 0.00 0.00 179.25 180.36 3mg1 h VAL 138 N 0.96 1.19 -0.68 0.00 2.07 -0.90 -1.25 116.25 117.64 3mg1 h VAL 138 Ca 0.19 -0.55 -0.07 0.00 0.82 0.00 0.00 66.70 67.09 3mg1 h VAL 138 Cb 0.47 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 3mg1 h VAL 138 CO 0.02 0.22 0.16 0.25 0.02 0.00 0.00 177.57 178.24 3mg1 h LEU 139 N 0.68 1.03 -0.57 2.57 5.85 -1.02 -1.27 115.31 122.58 3mg1 h LEU 139 Ca 0.18 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.70 3mg1 h LEU 139 Cb 0.11 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 3mg1 h LEU 139 CO -0.02 1.00 0.32 0.00 -0.34 0.00 0.00 178.44 179.39 3mg1 h ALA 140 N 1.07 0.74 -0.14 1.25 0.00 -1.02 0.08 119.26 121.25 3mg1 h ALA 140 Ca 0.21 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.15 3mg1 h ALA 140 Cb 0.37 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3mg1 h ALA 140 CO 0.00 0.00 0.03 1.15 0.00 0.00 0.00 179.25 180.43 3mg1 h THR 141 N 0.61 0.94 -0.52 0.00 2.02 -0.72 -2.43 112.91 112.81 3mg1 h THR 141 Ca 0.25 -0.03 0.06 0.00 0.77 0.00 0.00 66.41 67.45 3mg1 h THR 141 Cb 0.11 0.85 -0.05 0.00 -1.74 0.00 0.00 68.15 67.32 3mg1 h THR 141 CO -0.15 0.02 0.24 0.40 0.37 0.00 0.00 175.52 176.40 3mg1 h ILE 142 N 0.09 0.91 0.00 3.11 2.04 -0.78 -1.91 117.51 120.97 3mg1 h ILE 142 Ca 0.06 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.76 3mg1 h ILE 142 Cb 0.05 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 3mg1 h ILE 142 CO -0.08 0.08 0.00 1.56 0.00 0.00 0.00 178.15 179.72 3mg1 h GLN 143 N 0.46 0.00 -0.01 2.37 4.20 -0.68 -1.66 115.11 119.80 3mg1 h GLN 143 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 3mg1 h GLN 143 Cb 0.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.97 3mg1 h GLN 143 CO -0.19 0.00 -0.26 0.41 -0.67 0.00 0.00 178.83 178.12 3mg1 n GLY 144 N -0.01 -0.84 3.88 3.46 0.00 -0.73 -4.93 105.19 106.01 3mg1 n GLY 144 Ca 0.02 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 3mg1 n GLY 144 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mg1 s LEU 145 N -2.61 3.71 0.70 0.99 1.43 -0.63 -5.05 118.68 117.22 3mg1 s LEU 145 Ca 0.22 1.18 -0.17 0.00 -1.03 0.00 0.00 54.13 54.34 3mg1 s LEU 145 Cb 0.19 -4.10 0.02 0.00 0.03 0.00 0.00 46.19 42.33 3mg1 s LEU 145 CO 0.54 -0.50 1.26 -1.61 0.23 0.00 0.00 176.35 176.27 3mg1 s GLU 146 N -4.17 2.28 0.31 1.70 2.02 -1.26 -4.73 118.70 114.85 3mg1 s GLU 146 Ca 0.52 1.96 0.04 0.00 0.02 0.00 0.00 54.97 57.51 3mg1 s GLU 146 Cb -0.10 -1.83 0.65 0.00 0.10 0.00 0.00 34.13 32.95 3mg1 s GLU 146 CO 0.36 -1.78 1.84 0.66 0.02 0.00 0.00 175.26 176.36 3mg1 h SER 147 N 0.10 0.84 -0.58 -0.19 4.64 -1.96 -0.17 113.55 116.22 3mg1 h SER 147 Ca -0.49 0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 60.87 3mg1 h SER 147 Cb 1.32 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 63.27 3mg1 h SER 147 CO 0.51 0.43 0.35 1.23 -0.87 0.00 0.00 176.83 178.48 3mg1 h GLY 148 N 0.89 0.86 1.28 -0.77 0.00 -1.91 -1.42 103.07 102.00 3mg1 h GLY 148 Ca 0.48 -0.35 -0.26 0.00 0.00 0.00 0.00 47.33 47.21 3mg1 h GLY 148 CO -0.25 0.34 -1.00 1.46 0.00 0.00 0.00 176.54 177.09 3mg1 h GLN 149 N 0.82 0.65 -0.25 4.80 4.20 -1.46 -3.04 115.11 120.84 3mg1 h GLN 149 Ca 0.21 -0.68 0.01 0.00 0.06 0.00 0.00 58.65 58.25 3mg1 h GLN 149 Cb -0.02 0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 3mg1 h GLN 149 CO -0.04 1.28 0.13 1.96 -0.67 0.00 0.00 178.83 181.48 3mg1 h GLN 150 N 0.37 0.26 0.00 1.46 4.20 -0.67 -1.18 115.11 119.55 3mg1 h GLN 150 Ca -0.11 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.53 3mg1 h GLN 150 Cb 1.65 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 29.37 3mg1 h GLN 150 CO 0.19 0.17 -0.25 -0.84 -0.67 0.00 0.00 178.83 177.43 3mg1 h ILE 151 N 0.27 0.81 -0.16 2.54 3.07 -1.36 -1.66 117.51 121.02 3mg1 h ILE 151 Ca 0.10 -1.02 -0.21 0.00 1.55 0.00 0.00 64.86 65.28 3mg1 h ILE 151 Cb 0.02 1.62 0.01 0.00 -0.27 0.00 0.00 36.82 38.20 3mg1 h ILE 151 CO -0.06 0.25 -0.71 0.74 -1.05 0.00 0.00 178.15 177.32 3mg1 h THR 152 N 0.00 1.29 -0.17 0.16 2.02 -1.32 -1.17 112.91 113.72 3mg1 h THR 152 Ca -0.00 -1.92 0.02 0.00 0.77 0.00 0.00 66.41 65.28 3mg1 h THR 152 Cb 0.60 1.97 -0.02 0.00 -1.74 0.00 0.00 68.15 68.96 3mg1 h THR 152 CO 0.03 0.61 0.04 0.58 0.37 0.00 0.00 175.52 177.15 3mg1 h VAL 153 N 0.49 0.93 -0.37 3.16 2.07 -0.91 -0.97 116.25 120.65 3mg1 h VAL 153 Ca -0.04 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 3mg1 h VAL 153 Cb 1.34 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 3mg1 h VAL 153 CO 0.15 0.02 0.22 -0.07 0.02 0.00 0.00 177.57 177.91 3mg1 h LEU 154 N 0.11 0.45 -0.24 2.57 3.38 -1.29 -1.20 115.31 119.08 3mg1 h LEU 154 Ca 0.08 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3mg1 h LEU 154 Cb 0.06 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3mg1 h LEU 154 CO -0.10 0.38 0.14 -0.09 0.09 0.00 0.00 178.44 178.86 3mg1 h ARG 155 N 0.48 0.32 -0.52 1.13 2.43 -1.10 -1.59 114.38 115.53 3mg1 h ARG 155 Ca 0.13 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.21 3mg1 h ARG 155 Cb 0.01 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 3mg1 h ARG 155 CO -0.02 0.26 0.05 -0.91 -1.51 0.00 0.00 179.97 177.84 3mg1 h ASN 156 N 0.30 0.80 -0.33 -3.80 2.35 -0.99 -0.55 115.58 113.35 3mg1 h ASN 156 Ca 0.09 -0.18 0.02 0.00 -0.55 0.00 0.00 56.30 55.68 3mg1 h ASN 156 Cb 0.02 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.15 3mg1 h ASN 156 CO -0.02 0.84 0.16 0.00 -1.65 0.00 0.00 177.43 176.76 3mg1 h ALA 157 N 1.26 0.41 -0.28 -0.83 0.00 -1.00 -1.63 119.26 117.18 3mg1 h ALA 157 Ca 0.16 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3mg1 h ALA 157 Cb 0.40 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3mg1 h ALA 157 CO 0.01 -0.22 0.16 0.28 0.00 0.00 0.00 179.25 179.49 3mg1 h VAL 158 N 0.33 1.03 -0.20 0.00 2.07 -0.77 -2.94 116.25 115.78 3mg1 h VAL 158 Ca 0.14 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 67.49 3mg1 h VAL 158 Cb 0.06 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 3mg1 h VAL 158 CO -0.10 0.06 -0.11 0.58 0.02 0.00 0.00 177.57 178.02 3mg1 h VAL 159 N 0.33 1.19 0.00 2.57 2.07 -0.93 -2.34 116.25 119.15 3mg1 h VAL 159 Ca 0.11 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.82 3mg1 h VAL 159 Cb -0.00 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3mg1 h VAL 159 CO -0.05 0.26 0.00 0.47 0.02 0.00 0.00 177.57 178.27 3mg1 n ASP 160 N -4.27 0.59 -4.85 0.57 8.00 -0.63 -4.84 116.55 111.12 3mg1 n ASP 160 Ca -0.00 0.66 -0.29 0.00 0.71 0.00 0.00 54.79 55.86 3mg1 n ASP 160 Cb 0.27 -0.78 0.09 0.00 -0.02 0.00 0.00 41.12 40.69 3mg1 n ASP 160 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3mg1 s MET 161 N -3.31 1.93 0.64 -1.24 -1.94 -0.88 -4.91 119.30 109.60 3mg1 s MET 161 Ca 0.04 0.31 0.00 0.00 -1.71 0.00 0.00 55.69 54.32 3mg1 s MET 161 Cb 0.09 -1.93 0.00 0.00 2.01 0.00 0.00 34.83 35.00 3mg1 s MET 161 CO 0.35 -1.65 0.00 0.41 -0.01 0.00 0.00 175.02 174.12 3mg1 n GLY 162 N -2.78 -2.12 2.87 -0.03 0.00 -0.21 -4.70 105.19 98.23 3mg1 n GLY 162 Ca 0.07 -1.60 -0.30 0.00 0.00 0.00 0.00 46.02 44.20 3mg1 n GLY 162 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3mg1 s PHE 163 N -0.15 2.08 0.17 1.61 5.36 -0.81 -4.30 117.98 121.94 3mg1 s PHE 163 Ca 0.00 -1.63 -0.15 0.00 -0.96 0.00 0.00 56.93 54.19 3mg1 s PHE 163 Cb 0.00 -1.56 -0.07 0.00 -0.34 0.00 0.00 43.02 41.05 3mg1 s PHE 163 CO 0.00 -0.76 0.59 0.95 -1.46 0.00 0.00 175.22 174.53 3mg1 s THR 164 N 1.50 4.80 -0.04 0.12 -4.23 -1.26 -4.21 115.64 112.32 3mg1 s THR 164 Ca -0.01 0.89 -0.02 0.00 -1.18 0.00 0.00 61.69 61.37 3mg1 s THR 164 Cb -0.18 -3.75 0.03 0.00 1.34 0.00 0.00 72.50 69.94 3mg1 s THR 164 CO -0.09 0.20 0.06 -0.13 -0.54 0.00 0.00 174.62 174.12 3mg1 s ARG 171 N -2.05 -0.07 -0.16 3.99 0.52 -1.26 -5.06 118.95 114.86 3mg1 s ARG 171 Ca 0.40 0.34 -0.02 0.00 -0.52 0.00 0.00 55.73 55.93 3mg1 s ARG 171 Cb -0.15 -0.44 -0.02 0.00 0.52 0.00 0.00 34.95 34.86 3mg1 s ARG 171 CO 0.20 -0.29 -0.08 0.42 0.02 0.00 0.00 175.30 175.56 3mg1 s ILE 172 N 1.93 3.35 0.16 1.52 -1.09 0.70 -5.03 121.20 122.74 3mg1 s ILE 172 Ca 0.02 -0.54 -0.01 0.00 -2.23 0.00 0.00 60.65 57.89 3mg1 s ILE 172 Cb -0.12 -2.46 -0.04 0.00 -1.58 0.00 0.00 42.46 38.26 3mg1 s ILE 172 CO -0.03 0.49 0.09 0.00 -1.23 0.00 0.00 174.94 174.25 3mg1 s ALA 173 N 0.71 0.94 0.70 9.38 0.00 -1.26 -0.85 121.76 131.38 3mg1 s ALA 173 Ca -0.04 -1.53 -0.14 0.00 0.00 0.00 0.00 51.96 50.25 3mg1 s ALA 173 Cb -0.15 1.05 0.02 0.00 0.00 0.00 0.00 23.12 24.04 3mg1 s ALA 173 CO 0.02 -0.53 1.12 -1.21 0.00 0.00 0.00 175.76 175.16 3mg1 s GLU 174 N -4.08 2.56 0.59 0.00 2.02 -1.26 -4.99 118.70 113.54 3mg1 s GLU 174 Ca 0.29 1.39 -0.20 0.00 0.02 0.00 0.00 54.97 56.47 3mg1 s GLU 174 Cb 0.07 -1.92 -0.03 0.00 0.10 0.00 0.00 34.13 32.35 3mg1 s GLU 174 CO 0.05 -1.44 1.33 -2.14 0.02 0.00 0.00 175.26 173.08 3mg1 s PRO 175 N -4.26 2.89 -0.14 0.39 0.02 -1.26 -4.94 135.00 127.70 3mg1 s PRO 175 Ca 0.67 2.16 -0.29 0.00 0.02 0.00 0.00 61.00 63.55 3mg1 s PRO 175 Cb -0.21 -2.08 -0.01 0.00 0.02 0.00 0.00 34.50 32.22 3mg1 s PRO 175 CO 0.45 -1.36 1.13 0.08 -0.33 0.00 0.00 177.00 176.97 3mg1 s VAL 176 N -1.34 4.50 0.17 3.83 1.01 -1.26 -5.01 120.40 122.29 3mg1 s VAL 176 Ca 0.76 1.80 -0.30 0.00 0.00 0.00 0.00 61.98 64.24 3mg1 s VAL 176 Cb -0.39 -4.16 -0.07 0.00 0.00 0.00 0.00 36.38 31.76 3mg1 s VAL 176 CO 0.44 -0.09 0.98 -0.69 0.00 0.00 0.00 175.10 175.74 3mg1 s VAL 177 N 2.79 4.24 0.49 2.92 1.01 -1.26 -5.01 120.40 125.58 3mg1 s VAL 177 Ca 0.51 2.00 -0.23 0.00 0.00 0.00 0.00 61.98 64.25 3mg1 s VAL 177 Cb -0.20 -4.27 -0.08 0.00 0.00 0.00 0.00 36.38 31.83 3mg1 s VAL 177 CO 0.15 0.37 1.15 -2.65 0.00 0.00 0.00 175.10 174.12 3mg1 n PRO 178 N 2.25 1.50 -1.14 2.72 -0.02 -1.26 -4.94 135.00 134.11 3mg1 n PRO 178 Ca 0.01 0.54 -0.34 0.00 -2.02 0.00 0.00 63.50 61.69 3mg1 n PRO 178 Cb 0.48 -2.28 0.11 0.00 -0.02 0.00 0.00 33.50 31.79 3mg1 n PRO 178 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3mg1 n PRO 179 N -0.37 0.21 -1.94 0.52 -0.02 -1.26 -4.93 135.00 127.20 3mg1 n PRO 179 Ca 0.10 0.14 -0.41 0.00 -2.02 0.00 0.00 63.50 61.30 3mg1 n PRO 179 Cb 0.42 -2.24 -0.02 0.00 -0.02 0.00 0.00 33.50 31.65 3mg1 n PRO 179 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3mg1 s GLN 180 N -3.70 4.22 0.15 -0.52 0.74 0.15 -4.92 119.66 115.79 3mg1 s GLN 180 Ca 0.70 2.40 -0.34 0.00 0.05 0.00 0.00 55.36 58.17 3mg1 s GLN 180 Cb -0.30 -3.05 -0.15 0.00 1.10 0.00 0.00 33.01 30.61 3mg1 s GLN 180 CO 0.54 -0.42 1.35 -3.47 -0.55 0.00 0.00 175.29 172.73 3mg1 n ASP 181 N 1.38 2.02 -0.32 6.67 2.03 -1.26 -4.86 116.55 122.21 3mg1 n ASP 181 Ca 0.04 1.12 0.07 0.00 0.52 0.00 0.00 54.79 56.54 3mg1 n ASP 181 Cb 0.40 -1.28 0.23 0.00 -0.72 0.00 0.00 41.12 39.75 3mg1 n ASP 181 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 3mg1 h THR 182 N 3.16 0.83 0.00 5.18 2.02 -1.99 -0.50 112.91 121.60 3mg1 h THR 182 Ca -0.45 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.45 3mg1 h THR 182 Cb 1.31 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 3mg1 h THR 182 CO 0.77 0.15 0.00 0.00 0.37 0.00 0.00 175.52 176.81 3mg1 n ALA 183 N -2.38 1.82 0.89 6.16 0.00 -1.26 -2.56 120.51 123.18 3mg1 n ALA 183 Ca 0.18 0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.76 3mg1 n ALA 183 Cb 0.39 -1.39 0.03 0.00 0.00 0.00 0.00 19.45 18.48 3mg1 n ALA 183 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3mg1 n SER 184 N -2.12 0.73 -4.77 0.00 2.88 -0.21 -4.97 113.62 105.16 3mg1 n SER 184 Ca 0.03 -0.57 -0.40 0.00 -1.33 0.00 0.00 58.87 56.60 3mg1 n SER 184 Cb 0.27 0.74 -0.03 0.00 -0.75 0.00 0.00 64.21 64.44 3mg1 n SER 184 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3mg1 s ARG 185 N -3.05 4.41 0.29 -1.46 0.52 -1.06 -5.02 118.95 113.57 3mg1 s ARG 185 Ca 0.08 1.97 0.01 0.00 -0.52 0.00 0.00 55.73 57.27 3mg1 s ARG 185 Cb 0.16 -3.03 -0.03 0.00 0.52 0.00 0.00 34.95 32.56 3mg1 s ARG 185 CO 0.80 -0.06 0.47 0.95 0.02 0.00 0.00 175.30 177.48 3mg1 s THR 186 N -1.21 5.16 -0.04 0.02 -4.23 -1.26 -5.09 115.64 108.99 3mg1 s THR 186 Ca 0.49 -0.56 0.06 0.00 -1.18 0.00 0.00 61.69 60.49 3mg1 s THR 186 Cb -0.35 -3.83 -0.02 0.00 1.34 0.00 0.00 72.50 69.64 3mg1 s THR 186 CO 0.45 -0.41 -0.21 -0.54 -0.54 0.00 0.00 174.62 173.37 3mg1 s LYS 187 N -3.99 2.39 0.60 3.99 1.02 -1.26 -4.91 119.74 117.59 3mg1 s LYS 187 Ca 0.38 -0.84 -0.10 0.00 0.02 0.00 0.00 55.97 55.43 3mg1 s LYS 187 Cb -0.10 -2.20 -0.04 0.00 -0.52 0.00 0.00 37.83 34.97 3mg1 s LYS 187 CO 0.32 0.53 0.99 0.14 -0.92 0.00 0.00 175.35 176.41 3mg1 s VAL 188 N -0.51 4.70 -0.04 3.17 -7.23 -1.26 -5.08 120.40 114.15 3mg1 s VAL 188 Ca 0.07 0.75 0.04 0.00 -1.81 0.00 0.00 61.98 61.03 3mg1 s VAL 188 Cb -0.11 -3.86 -0.00 0.00 0.56 0.00 0.00 36.38 32.97 3mg1 s VAL 188 CO 0.01 -1.08 -0.15 -0.55 -0.31 0.00 0.00 175.10 173.01 3mg1 s SER 189 N -4.17 1.93 -0.14 4.85 0.15 -1.26 -5.07 113.70 109.98 3mg1 s SER 189 Ca 0.54 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.88 3mg1 s SER 189 Cb -0.11 -0.54 0.02 0.00 -1.71 0.00 0.00 66.02 63.69 3mg1 s SER 189 CO 0.52 0.13 -0.12 -0.63 1.20 0.00 0.00 173.24 174.35 3mg1 s ILE 190 N 0.09 1.39 0.14 6.45 1.01 -1.26 -4.62 121.20 124.39 3mg1 s ILE 190 Ca -0.04 -0.54 -0.33 0.00 0.00 0.00 0.00 60.65 59.74 3mg1 s ILE 190 Cb -0.11 -1.35 -0.12 0.00 0.01 0.00 0.00 42.46 40.89 3mg1 s ILE 190 CO 0.02 0.40 1.72 -0.62 0.00 0.00 0.00 174.94 176.46 3mg1 n GLU 191 N 4.83 2.52 0.00 2.79 1.02 -0.45 -1.63 120.64 129.71 3mg1 n GLU 191 Ca -0.15 0.91 0.00 0.00 -0.02 0.00 0.00 57.16 57.90 3mg1 n GLU 191 Cb 0.50 -2.74 0.00 0.00 -0.02 0.00 0.00 31.44 29.17 3mg1 n GLU 191 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mg1 n GLY 192 N 3.89 2.42 2.93 0.62 0.00 -1.26 -0.99 105.19 112.80 3mg1 n GLY 192 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 3mg1 n GLY 192 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mg1 s VAL 193 N -2.27 1.37 -0.74 1.61 1.01 -0.65 -4.80 120.40 115.93 3mg1 s VAL 193 Ca 0.00 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.16 3mg1 s VAL 193 Cb 0.00 -1.55 0.15 0.00 0.00 0.00 0.00 36.38 34.99 3mg1 s VAL 193 CO 0.00 0.08 1.02 0.35 0.00 0.00 0.00 175.10 176.54 3mg1 n THR 194 N 4.77 0.64 -1.68 3.92 -2.24 -1.26 -4.27 114.28 114.16 3mg1 n THR 194 Ca -0.13 -0.82 -0.50 0.00 -2.27 0.00 0.00 64.05 60.33 3mg1 n THR 194 Cb 0.46 0.74 -0.05 0.00 -2.10 0.00 0.00 70.33 69.38 3mg1 n THR 194 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3mg1 n ASN 195 N 0.27 3.03 -0.11 3.42 2.85 -1.26 -4.86 115.26 118.60 3mg1 n ASN 195 Ca 0.07 1.03 -0.03 0.00 -0.11 0.00 0.00 54.58 55.53 3mg1 n ASN 195 Cb 0.30 -1.32 0.18 0.00 1.24 0.00 0.00 39.78 40.19 3mg1 n ASN 195 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3mg1 h ALA 196 N 7.81 1.17 -0.23 5.20 0.00 -1.98 -1.67 119.26 129.56 3mg1 h ALA 196 Ca -0.47 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.20 3mg1 h ALA 196 Cb 1.28 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3mg1 h ALA 196 CO 0.93 0.55 0.10 1.15 0.00 0.00 0.00 179.25 181.98 3mg1 h THR 197 N 0.75 1.15 -0.29 0.00 2.02 -1.89 0.82 112.91 115.47 3mg1 h THR 197 Ca 0.16 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 3mg1 h THR 197 Cb 0.37 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 3mg1 h THR 197 CO 0.01 0.15 0.13 0.58 0.37 0.00 0.00 175.52 176.76 3mg1 h VAL 198 N 0.23 1.16 -0.69 3.16 2.07 -1.86 0.14 116.25 120.46 3mg1 h VAL 198 Ca 0.08 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 3mg1 h VAL 198 Cb 0.14 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 3mg1 h VAL 198 CO -0.01 0.17 0.33 -0.07 0.02 0.00 0.00 177.57 178.01 3mg1 h LEU 199 N 0.33 0.90 -0.93 2.57 3.38 -1.25 -1.86 115.31 118.45 3mg1 h LEU 199 Ca 0.10 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 3mg1 h LEU 199 Cb 0.14 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3mg1 h LEU 199 CO -0.01 0.78 -0.25 0.78 0.09 0.00 0.00 178.44 179.82 3mg1 h ASN 200 N 0.95 0.49 0.11 -0.43 2.35 -0.62 -0.40 115.58 118.04 3mg1 h ASN 200 Ca 0.24 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3mg1 h ASN 200 Cb 0.12 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 3mg1 h ASN 200 CO -0.03 0.74 -0.07 0.22 -1.65 0.00 0.00 177.43 176.64 3mg1 h TYR 201 N 0.43 -0.18 -0.29 1.19 3.20 -0.38 -0.45 116.97 120.49 3mg1 h TYR 201 Ca 0.06 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 3mg1 h TYR 201 Cb 0.67 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 3mg1 h TYR 201 CO 0.02 -0.11 0.07 0.52 -1.64 0.00 0.00 178.16 177.03 3mg1 h MET 202 N -0.18 0.46 -0.48 1.82 2.86 -1.11 -2.07 114.93 116.24 3mg1 h MET 202 Ca -0.01 -0.11 -0.11 0.00 -2.06 0.00 0.00 59.70 57.41 3mg1 h MET 202 Cb 0.15 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 3mg1 h MET 202 CO 0.01 0.53 -0.14 -0.44 1.06 0.00 0.00 176.91 177.93 3mg1 h ASP 203 N 0.30 0.96 -0.05 1.22 3.32 -1.02 -1.36 116.42 119.79 3mg1 h ASP 203 Ca 0.09 -0.37 -0.15 0.00 0.02 0.00 0.00 57.03 56.62 3mg1 h ASP 203 Cb 0.28 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3mg1 h ASP 203 CO 0.00 1.11 -0.46 0.78 -1.72 0.00 0.00 179.24 178.95 3mg1 h ASN 204 N 0.79 0.65 -0.54 6.45 2.35 -1.06 -2.57 115.58 121.64 3mg1 h ASN 204 Ca 0.12 -0.31 -0.07 0.00 -0.55 0.00 0.00 56.30 55.48 3mg1 h ASN 204 Cb 0.70 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.87 3mg1 h ASN 204 CO 0.05 1.01 0.06 0.25 -1.65 0.00 0.00 177.43 177.15 3mg1 h LEU 205 N 0.48 0.88 -2.31 1.61 5.85 -1.24 -0.38 115.31 120.20 3mg1 h LEU 205 Ca 0.03 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.47 3mg1 h LEU 205 Cb 0.99 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.79 3mg1 h LEU 205 CO 0.09 0.94 0.00 0.78 -0.34 0.00 0.00 178.44 179.91 3mg1 h ASN 206 N 0.80 0.00 -0.45 1.25 2.35 -1.11 -1.68 115.58 116.74 3mg1 h ASN 206 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 3mg1 h ASN 206 Cb 0.45 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.82 3mg1 h ASN 206 CO 0.02 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.80 3mg1 n ALA 207 N -2.02 2.32 -2.70 -0.83 0.00 -0.93 -4.93 120.51 111.42 3mg1 n ALA 207 Ca -0.02 -1.11 -0.18 0.00 0.00 0.00 0.00 53.44 52.14 3mg1 n ALA 207 Cb 0.13 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 18.90 3mg1 n ALA 207 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3mg1 n ASN 208 N 1.11 -4.75 -4.20 0.00 3.02 -0.63 -0.67 115.26 109.13 3mg1 n ASN 208 Ca 0.17 -0.05 -0.44 0.00 -0.03 0.00 0.00 54.58 54.24 3mg1 n ASN 208 Cb 0.51 -3.95 0.00 0.00 -0.61 0.00 0.00 39.78 35.74 3mg1 n ASN 208 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3mg1 n ASP 209 N -2.07 5.58 0.09 6.41 -0.08 -0.20 -4.23 116.55 122.05 3mg1 n ASP 209 Ca -0.14 -3.13 -0.05 0.00 -1.51 0.00 0.00 54.79 49.97 3mg1 n ASP 209 Cb 0.62 -1.42 0.13 0.00 2.34 0.00 0.00 41.12 42.79 3mg1 n ASP 209 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 3mg1 h PHE 210 N 6.31 0.29 -0.64 -0.67 0.04 -1.91 -1.53 116.94 118.83 3mg1 h PHE 210 Ca 0.26 -0.11 -0.06 0.00 2.80 0.00 0.00 57.97 60.87 3mg1 h PHE 210 Cb 0.76 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.83 3mg1 h PHE 210 CO 1.00 0.76 0.17 -0.44 -0.60 0.00 0.00 178.31 179.20 3mg1 h ASP 211 N 0.17 0.93 -0.11 2.17 3.32 -1.98 -0.06 116.42 120.87 3mg1 h ASP 211 Ca -0.00 -0.17 -0.23 0.00 0.02 0.00 0.00 57.03 56.64 3mg1 h ASP 211 Cb 1.08 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 40.40 3mg1 h ASP 211 CO 0.09 0.89 -0.85 0.74 -1.72 0.00 0.00 179.24 178.39 3mg1 h THR 212 N 0.95 1.28 -0.55 0.35 2.02 -1.94 -3.28 112.91 111.74 3mg1 h THR 212 Ca 0.21 -2.04 0.01 0.00 0.77 0.00 0.00 66.41 65.36 3mg1 h THR 212 Cb 0.31 2.09 -0.03 0.00 -1.74 0.00 0.00 68.15 68.78 3mg1 h THR 212 CO -0.00 0.64 0.35 0.25 0.37 0.00 0.00 175.52 177.13 3mg1 h LEU 213 N 0.50 0.60 -1.67 2.58 5.85 -0.99 -2.53 115.31 119.64 3mg1 h LEU 213 Ca -0.07 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 3mg1 h LEU 213 Cb 1.48 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.36 3mg1 h LEU 213 CO 0.17 0.43 -0.17 -0.29 -0.34 0.00 0.00 178.44 178.24 3mg1 h ILE 214 N 0.71 0.67 0.00 4.05 6.09 -1.09 -1.81 117.51 126.13 3mg1 h ILE 214 Ca 0.21 -0.74 0.00 0.00 -1.37 0.00 0.00 64.86 62.95 3mg1 h ILE 214 Cb -0.06 1.47 0.00 0.00 0.47 0.00 0.00 36.82 38.70 3mg1 h ILE 214 CO -0.06 0.17 0.00 -0.62 -3.07 0.00 0.00 178.15 174.57 3mg1 n GLU 215 N -3.68 0.11 0.10 2.19 1.02 -0.95 -1.95 120.64 117.49 3mg1 n GLU 215 Ca -0.01 0.38 0.12 0.00 -0.02 0.00 0.00 57.16 57.63 3mg1 n GLU 215 Cb 0.29 -1.72 0.45 0.00 -0.02 0.00 0.00 31.44 30.44 3mg1 n GLU 215 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3mg1 n LEU 216 N -1.93 0.67 -4.89 -4.62 4.77 -0.68 -4.87 117.00 105.45 3mg1 n LEU 216 Ca 0.02 0.60 -0.31 0.00 -0.03 0.00 0.00 56.01 56.29 3mg1 n LEU 216 Cb 0.18 -0.43 -0.05 0.00 -2.33 0.00 0.00 43.42 40.80 3mg1 n LEU 216 CO 0.16 -0.30 0.13 -0.36 -1.33 0.00 0.00 177.39 175.68 3mg1 s PHE 217 N -3.16 3.45 0.76 -1.77 0.08 -0.82 -0.07 117.98 116.45 3mg1 s PHE 217 Ca 0.09 0.70 -0.11 0.00 0.12 0.00 0.00 56.93 57.73 3mg1 s PHE 217 Cb 0.12 -2.12 0.05 0.00 -0.57 0.00 0.00 43.02 40.49 3mg1 s PHE 217 CO 0.51 0.34 1.09 0.95 -0.10 0.00 0.00 175.22 178.01 3mg1 s THR 218 N -1.77 3.36 0.42 0.64 -4.23 -0.49 -4.76 115.64 108.81 3mg1 s THR 218 Ca 0.44 0.45 0.11 0.00 -1.18 0.00 0.00 61.69 61.52 3mg1 s THR 218 Cb -0.12 -2.96 0.31 0.00 1.34 0.00 0.00 72.50 71.08 3mg1 s THR 218 CO 0.24 -0.56 1.99 0.77 -0.54 0.00 0.00 174.62 176.52 3mg1 h SER 219 N -1.02 0.43 -0.48 3.99 4.64 -1.97 -1.65 113.55 117.49 3mg1 h SER 219 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3mg1 h SER 219 Cb 1.23 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3mg1 h SER 219 CO 0.52 0.28 0.00 -0.90 -0.87 0.00 0.00 176.83 175.85 3mg1 n ASP 220 N -4.47 3.96 -4.78 4.97 5.75 -1.26 -3.27 116.55 117.45 3mg1 n ASP 220 Ca 0.08 -2.41 -0.30 0.00 -0.01 0.00 0.00 54.79 52.15 3mg1 n ASP 220 Cb 0.28 -0.46 0.10 0.00 -1.03 0.00 0.00 41.12 40.01 3mg1 n ASP 220 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3mg1 s GLY 221 N -1.17 1.63 0.07 6.12 0.00 -0.62 -4.39 107.32 108.95 3mg1 s GLY 221 Ca 0.40 -0.09 0.01 0.00 0.00 0.00 0.00 44.72 45.05 3mg1 s GLY 221 CO 0.19 0.34 -0.06 0.00 0.00 0.00 0.00 173.10 173.57 3mg1 s ALA 222 N -3.06 0.73 -0.06 3.20 0.00 -0.47 -0.41 121.76 121.69 3mg1 s ALA 222 Ca 0.61 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 51.48 3mg1 s ALA 222 Cb -0.16 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.12 3mg1 s ALA 222 CO 0.55 -0.20 -0.15 -1.17 0.00 0.00 0.00 175.76 174.79 3mg1 s LEU 223 N -2.54 1.79 -0.34 0.00 0.20 -0.52 -1.47 118.68 115.80 3mg1 s LEU 223 Ca 0.03 -0.34 -0.01 0.00 0.69 0.00 0.00 54.13 54.50 3mg1 s LEU 223 Cb 0.01 -0.93 0.08 0.00 -0.43 0.00 0.00 46.19 44.91 3mg1 s LEU 223 CO -0.04 0.08 0.07 -1.58 -0.29 0.00 0.00 176.35 174.59 3mg1 s GLN 224 N 0.43 2.16 0.87 1.98 0.74 0.38 -0.46 119.66 125.75 3mg1 s GLN 224 Ca -0.12 -1.53 -0.11 0.00 0.05 0.00 0.00 55.36 53.65 3mg1 s GLN 224 Cb -0.15 -3.30 0.11 0.00 1.10 0.00 0.00 33.01 30.77 3mg1 s GLN 224 CO 0.04 -0.81 1.09 -2.14 -0.55 0.00 0.00 175.29 172.93 3mg1 s PRO 225 N 1.16 1.46 0.01 1.67 0.02 -1.26 -0.71 135.00 137.36 3mg1 s PRO 225 Ca 0.01 0.87 -0.34 0.00 0.02 0.00 0.00 61.00 61.56 3mg1 s PRO 225 Cb -0.21 -1.83 -0.13 0.00 0.02 0.00 0.00 34.50 32.36 3mg1 s PRO 225 CO -0.03 -2.11 1.74 -2.30 -0.33 0.00 0.00 177.00 173.97 3mg1 n PRO 226 N -3.80 2.11 -1.49 5.54 -0.02 -0.86 -1.91 135.00 134.58 3mg1 n PRO 226 Ca 0.07 0.77 -0.16 0.00 -2.02 0.00 0.00 63.50 62.16 3mg1 n PRO 226 Cb 0.55 -2.57 -0.07 0.00 -0.02 0.00 0.00 33.50 31.39 3mg1 n PRO 226 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3mg1 n PHE 227 N 5.16 -0.02 -4.51 6.00 3.72 -1.26 -4.99 117.46 121.57 3mg1 n PHE 227 Ca 0.20 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.36 3mg1 n PHE 227 Cb 0.28 -2.82 -0.10 0.00 -0.94 0.00 0.00 39.48 35.90 3mg1 n PHE 227 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3mg1 s GLN 228 N -3.40 1.74 0.68 -1.08 -1.52 -0.80 -5.08 119.66 110.19 3mg1 s GLN 228 Ca 0.00 -1.89 -0.12 0.00 -1.95 0.00 0.00 55.36 51.40 3mg1 s GLN 228 Cb 0.00 -1.53 0.00 0.00 -0.22 0.00 0.00 33.01 31.26 3mg1 s GLN 228 CO 0.00 0.11 1.06 1.03 -0.25 0.00 0.00 175.29 177.24 3mg1 s ARG 229 N -3.65 2.97 0.37 2.91 1.81 -1.26 -4.55 118.95 117.55 3mg1 s ARG 229 Ca 0.32 1.02 -0.28 0.00 -1.72 0.00 0.00 55.73 55.07 3mg1 s ARG 229 Cb 0.03 -1.99 -0.11 0.00 -0.45 0.00 0.00 34.95 32.42 3mg1 s ARG 229 CO 0.15 -1.07 1.39 -2.30 -0.68 0.00 0.00 175.30 172.79 3mg1 n PRO 230 N -2.94 2.40 -3.42 3.54 -0.02 -1.26 -4.56 135.00 128.74 3mg1 n PRO 230 Ca 0.08 0.84 -0.39 0.00 -2.02 0.00 0.00 63.50 62.01 3mg1 n PRO 230 Cb 0.53 -2.51 -0.09 0.00 -0.02 0.00 0.00 33.50 31.41 3mg1 n PRO 230 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3mg1 s ILE 231 N -1.12 5.20 -0.15 4.25 1.01 0.39 -4.94 121.20 125.84 3mg1 s ILE 231 Ca 0.55 0.51 -0.02 0.00 0.00 0.00 0.00 60.65 61.69 3mg1 s ILE 231 Cb -0.51 -3.67 -0.02 0.00 0.01 0.00 0.00 42.46 38.26 3mg1 s ILE 231 CO 0.63 0.17 -0.08 -0.69 0.00 0.00 0.00 174.94 174.97 3mg1 s VAL 232 N 2.02 3.46 0.00 2.92 1.01 -1.26 -1.44 120.40 127.10 3mg1 s VAL 232 Ca 0.14 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.61 3mg1 s VAL 232 Cb -0.16 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.73 3mg1 s VAL 232 CO 0.10 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.31 3mg1 n GLY 233 N 3.67 1.35 0.29 4.51 0.00 0.45 -4.44 105.19 111.03 3mg1 n GLY 233 Ca -0.18 -1.67 -0.04 0.00 0.00 0.00 0.00 46.02 44.13 3mg1 n GLY 233 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mg1 h LYS 234 N 0.00 0.94 -0.13 1.61 1.57 -1.79 -1.23 116.57 117.53 3mg1 h LYS 234 Ca 0.00 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.76 3mg1 h LYS 234 Cb 0.00 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.06 3mg1 h LYS 234 CO 0.00 0.62 -0.09 1.49 -0.57 0.00 0.00 179.45 180.91 3mg1 h GLU 235 N 0.97 -0.08 -0.23 3.15 4.81 -1.90 0.11 114.58 121.39 3mg1 h GLU 235 Ca 0.29 0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.37 3mg1 h GLU 235 Cb -0.05 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 3mg1 h GLU 235 CO -0.09 -0.06 -0.47 -0.91 -0.73 0.00 0.00 179.01 176.75 3mg1 h ASN 236 N -0.09 0.67 -0.35 1.04 2.35 -1.69 -1.81 115.58 115.71 3mg1 h ASN 236 Ca 0.08 -0.33 -0.14 0.00 -0.55 0.00 0.00 56.30 55.36 3mg1 h ASN 236 Cb 0.21 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 3mg1 h ASN 236 CO -0.19 1.04 -0.33 0.58 -1.65 0.00 0.00 177.43 176.88 3mg1 h VAL 237 N 0.49 1.28 -0.72 2.81 2.07 -1.07 -1.66 116.25 119.45 3mg1 h VAL 237 Ca 0.03 -1.50 -0.05 0.00 0.82 0.00 0.00 66.70 66.00 3mg1 h VAL 237 Cb 1.01 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 32.20 3mg1 h VAL 237 CO 0.09 0.49 0.26 0.25 0.02 0.00 0.00 177.57 178.69 3mg1 h LEU 238 N 0.62 1.01 -0.65 2.57 5.85 -0.88 -0.41 115.31 123.42 3mg1 h LEU 238 Ca 0.06 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.61 3mg1 h LEU 238 Cb 0.91 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 3mg1 h LEU 238 CO 0.08 0.93 0.41 -0.09 -0.34 0.00 0.00 178.44 179.43 3mg1 h ARG 239 N 1.04 0.80 -0.46 1.25 2.43 -1.21 -1.20 114.38 117.03 3mg1 h ARG 239 Ca 0.24 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 3mg1 h ARG 239 Cb 0.25 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 3mg1 h ARG 239 CO -0.01 0.53 0.24 0.35 -1.51 0.00 0.00 179.97 179.57 3mg1 h PHE 240 N 0.83 0.65 -0.27 2.20 3.57 -0.67 -0.74 116.94 122.51 3mg1 h PHE 240 Ca 0.25 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.78 3mg1 h PHE 240 Cb -0.03 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 38.46 3mg1 h PHE 240 CO -0.04 0.50 -0.02 0.74 -2.23 0.00 0.00 178.31 177.26 3mg1 h PHE 241 N 0.61 -0.06 -0.19 0.41 0.04 -0.72 -1.23 116.94 115.81 3mg1 h PHE 241 Ca 0.16 0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.84 3mg1 h PHE 241 Cb 0.08 0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 3mg1 h PHE 241 CO -0.02 -0.07 -0.37 0.00 -0.60 0.00 0.00 178.31 177.26 3mg1 h ARG 242 N 0.05 0.41 0.05 1.51 3.08 -0.90 -1.74 114.38 116.83 3mg1 h ARG 242 Ca 0.13 -0.19 -0.28 0.00 0.07 0.00 0.00 59.98 59.72 3mg1 h ARG 242 Cb 0.18 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 3mg1 h ARG 242 CO -0.24 0.72 -1.45 0.93 -1.07 0.00 0.00 179.97 178.86 3mg1 h GLU 243 N 0.34 0.10 0.00 0.04 5.08 -1.00 -3.43 114.58 115.71 3mg1 h GLU 243 Ca 0.04 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3mg1 h GLU 243 Cb 0.81 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.12 3mg1 h GLU 243 CO 0.06 0.88 -0.41 0.39 -1.00 0.00 0.00 179.01 178.94 3mg1 n GLU 244 N -3.29 2.98 -0.61 2.33 1.02 -0.48 -4.79 120.64 117.80 3mg1 n GLU 244 Ca -0.12 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.04 3mg1 n GLU 244 Cb 1.02 -0.64 0.22 0.00 -0.02 0.00 0.00 31.44 32.02 3mg1 n GLU 244 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3mg1 s GLN 246 N -3.04 4.60 -1.07 0.00 -0.21 -1.26 -4.23 119.66 114.46 3mg1 s GLN 246 Ca 0.43 1.26 0.00 0.00 0.02 0.00 0.00 55.36 57.07 3mg1 s GLN 246 Cb 0.37 -3.06 0.00 0.00 1.00 0.00 0.00 33.01 31.32 3mg1 s GLN 246 CO 0.04 0.44 0.00 0.09 -2.12 0.00 0.00 175.29 173.74 3mg1 n ASN 247 N 1.10 -3.96 -4.84 5.90 3.02 -1.26 -4.81 115.26 110.41 3mg1 n ASN 247 Ca -0.02 0.09 -0.31 0.00 -0.03 0.00 0.00 54.58 54.32 3mg1 n ASN 247 Cb 0.49 -2.93 0.03 0.00 -0.61 0.00 0.00 39.78 36.76 3mg1 n ASN 247 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3mg1 s LEU 248 N -3.07 3.20 -0.22 3.41 1.43 -1.26 -3.89 118.68 118.28 3mg1 s LEU 248 Ca 0.00 1.54 0.00 0.00 -1.03 0.00 0.00 54.13 54.64 3mg1 s LEU 248 Cb 0.00 -4.49 0.05 0.00 0.03 0.00 0.00 46.19 41.79 3mg1 s LEU 248 CO 0.00 -1.16 -0.06 -0.75 0.23 0.00 0.00 176.35 174.62 3mg1 s LYS 249 N -5.04 1.64 -0.18 1.70 2.20 -0.80 -4.68 119.74 114.58 3mg1 s LYS 249 Ca 0.57 -0.88 -0.15 0.00 -0.36 0.00 0.00 55.97 55.14 3mg1 s LYS 249 Cb -0.13 -2.47 -0.04 0.00 -1.51 0.00 0.00 37.83 33.68 3mg1 s LYS 249 CO 0.53 -0.55 0.36 -0.51 -0.36 0.00 0.00 175.35 174.82 3mg1 s LEU 250 N 1.44 4.20 -0.58 5.43 1.02 -1.26 -1.03 118.68 127.90 3mg1 s LEU 250 Ca -0.04 0.53 0.06 0.00 0.02 0.00 0.00 54.13 54.70 3mg1 s LEU 250 Cb -0.18 -2.47 0.22 0.00 0.02 0.00 0.00 46.19 43.78 3mg1 s LEU 250 CO -0.07 0.00 0.59 -0.38 0.02 0.00 0.00 176.35 176.51 3mg1 n ILE 251 N 3.97 1.15 -2.17 -0.59 -0.00 0.69 -5.02 119.36 117.40 3mg1 n ILE 251 Ca -0.10 -4.68 -0.36 0.00 -0.00 0.00 0.00 62.75 57.62 3mg1 n ILE 251 Cb 0.51 -2.04 0.01 0.00 -0.00 0.00 0.00 39.64 38.12 3mg1 n ILE 251 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 3mg1 s PRO 252 N -1.65 3.35 -0.04 0.38 0.04 -1.26 -1.60 135.00 134.21 3mg1 s PRO 252 Ca 0.34 1.74 -0.03 0.00 0.04 0.00 0.00 61.00 63.09 3mg1 s PRO 252 Cb 0.09 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 3mg1 s PRO 252 CO -0.10 -0.88 -0.07 0.39 0.04 0.00 0.00 177.00 176.37 3mg1 n GLU 253 N -1.16 0.12 -3.68 4.56 1.02 0.36 -4.74 120.64 117.11 3mg1 n GLU 253 Ca 0.11 0.05 -0.12 0.00 -0.02 0.00 0.00 57.16 57.18 3mg1 n GLU 253 Cb 0.50 -0.70 -0.06 0.00 -0.02 0.00 0.00 31.44 31.15 3mg1 n GLU 253 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3mg1 s ARG 254 N -2.12 0.90 0.29 3.49 0.52 -1.06 -1.34 118.95 119.64 3mg1 s ARG 254 Ca -0.08 -0.43 -0.04 0.00 -0.52 0.00 0.00 55.73 54.66 3mg1 s ARG 254 Cb 0.03 0.40 0.02 0.00 0.52 0.00 0.00 34.95 35.92 3mg1 s ARG 254 CO 0.10 -0.31 0.46 0.41 0.02 0.00 0.00 175.30 175.98 3mg1 n GLY 255 N 0.46 2.00 3.23 -3.53 0.00 -0.16 -0.58 105.19 106.62 3mg1 n GLY 255 Ca -0.18 -1.47 -0.13 0.00 0.00 0.00 0.00 46.02 44.24 3mg1 n GLY 255 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mg1 s VAL 256 N -2.62 0.00 -0.08 1.61 0.11 -0.22 -4.65 120.40 114.55 3mg1 s VAL 256 Ca 0.20 -0.03 0.03 0.00 -2.93 0.00 0.00 61.98 59.25 3mg1 s VAL 256 Cb -0.02 -0.49 0.01 0.00 -1.53 0.00 0.00 36.38 34.35 3mg1 s VAL 256 CO 0.15 -0.02 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.85 3mg1 s THR 257 N 0.08 1.46 0.03 5.04 2.01 -1.26 -1.44 115.64 121.56 3mg1 s THR 257 Ca -0.01 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.34 3mg1 s THR 257 Cb -0.03 -1.31 -0.02 0.00 0.01 0.00 0.00 72.50 71.15 3mg1 s THR 257 CO 0.01 0.43 -0.05 -1.61 -0.69 0.00 0.00 174.62 172.71 3mg1 s GLU 258 N 0.66 0.37 0.54 4.92 2.02 0.28 -5.01 118.70 122.48 3mg1 s GLU 258 Ca -0.14 -0.62 -0.19 0.00 0.02 0.00 0.00 54.97 54.04 3mg1 s GLU 258 Cb -0.16 -0.05 -0.06 0.00 0.10 0.00 0.00 34.13 33.96 3mg1 s GLU 258 CO 0.04 -0.01 1.12 -1.25 0.02 0.00 0.00 175.26 175.18 3mg1 s PRO 259 N -1.39 3.39 0.43 0.39 0.04 -1.26 -0.19 135.00 136.41 3mg1 s PRO 259 Ca -0.13 1.57 0.01 0.00 0.04 0.00 0.00 61.00 62.50 3mg1 s PRO 259 Cb -0.09 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 3mg1 s PRO 259 CO -0.00 -0.81 0.05 0.00 0.04 0.00 0.00 177.00 176.27 3mg1 n ALA 260 N -1.31 0.44 -1.59 8.56 0.00 0.07 -4.62 120.51 122.06 3mg1 n ALA 260 Ca 0.11 -2.02 -0.35 0.00 0.00 0.00 0.00 53.44 51.18 3mg1 n ALA 260 Cb 0.51 1.19 0.05 0.00 0.00 0.00 0.00 19.45 21.20 3mg1 n ALA 260 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3mg1 s GLU 261 N -3.59 2.75 -1.47 0.00 2.02 -1.26 -3.68 118.70 113.47 3mg1 s GLU 261 Ca 0.07 1.68 -0.01 0.00 0.02 0.00 0.00 54.97 56.73 3mg1 s GLU 261 Cb 0.00 -1.92 0.00 0.00 0.10 0.00 0.00 34.13 32.32 3mg1 s GLU 261 CO 0.05 -1.34 0.14 -0.25 0.02 0.00 0.00 175.26 173.88 3mg1 n ASP 262 N -2.06 -5.26 0.00 -0.19 8.00 -1.26 -2.23 116.55 113.56 3mg1 n ASP 262 Ca 0.13 -0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.55 3mg1 n ASP 262 Cb 0.50 -4.27 0.00 0.00 -0.02 0.00 0.00 41.12 37.33 3mg1 n ASP 262 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mg1 n GLY 263 N -1.12 0.59 3.87 0.44 0.00 -1.25 -4.76 105.19 102.97 3mg1 n GLY 263 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 3mg1 n GLY 263 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mg1 s PHE 264 N -2.39 2.88 -0.02 1.61 0.40 -0.95 -3.87 117.98 115.64 3mg1 s PHE 264 Ca 0.00 0.80 0.03 0.00 -0.60 0.00 0.00 56.93 57.16 3mg1 s PHE 264 Cb 0.00 -3.44 -0.00 0.00 0.51 0.00 0.00 43.02 40.08 3mg1 s PHE 264 CO 0.00 -1.87 -0.11 0.99 0.70 0.00 0.00 175.22 174.94 3mg1 s THR 265 N -3.49 0.86 -0.09 0.64 2.01 -0.26 -0.75 115.64 114.57 3mg1 s THR 265 Ca 0.62 -0.44 0.02 0.00 0.31 0.00 0.00 61.69 62.20 3mg1 s THR 265 Cb -0.12 -0.74 -0.02 0.00 0.01 0.00 0.00 72.50 71.63 3mg1 s THR 265 CO 0.50 0.25 -0.16 0.00 -0.69 0.00 0.00 174.62 174.53 3mg1 s GLN 266 N -0.09 2.92 -0.04 4.92 -2.07 0.73 -0.54 119.66 125.49 3mg1 s GLN 266 Ca 0.01 -0.73 0.02 0.00 -1.82 0.00 0.00 55.36 52.84 3mg1 s GLN 266 Cb -0.06 -2.46 0.02 0.00 -1.09 0.00 0.00 33.01 29.42 3mg1 s GLN 266 CO -0.00 0.39 -0.07 0.42 -1.32 0.00 0.00 175.29 174.71 3mg1 s ILE 267 N -0.13 0.69 -0.12 3.63 1.01 -0.31 -0.56 121.20 125.41 3mg1 s ILE 267 Ca -0.02 -0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.40 3mg1 s ILE 267 Cb -0.14 -0.67 -0.01 0.00 0.01 0.00 0.00 42.46 41.65 3mg1 s ILE 267 CO 0.04 0.25 -0.15 -0.75 0.00 0.00 0.00 174.94 174.32 3mg1 s LYS 268 N 0.67 3.23 -0.01 2.79 2.20 -0.52 -0.23 119.74 127.86 3mg1 s LYS 268 Ca -0.10 -0.73 0.08 0.00 -0.36 0.00 0.00 55.97 54.86 3mg1 s LYS 268 Cb -0.13 -2.54 -0.02 0.00 -1.51 0.00 0.00 37.83 33.63 3mg1 s LYS 268 CO 0.01 0.25 -0.24 0.08 -0.36 0.00 0.00 175.35 175.09 3mg1 s VAL 269 N 0.24 1.91 0.20 4.02 1.01 -0.22 -1.06 120.40 126.50 3mg1 s VAL 269 Ca -0.10 -1.05 0.11 0.00 0.00 0.00 0.00 61.98 60.94 3mg1 s VAL 269 Cb -0.16 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 3mg1 s VAL 269 CO 0.06 0.52 -0.23 0.42 0.00 0.00 0.00 175.10 175.87 3mg1 s THR 270 N -0.58 2.31 -1.19 3.92 -4.23 0.26 -0.60 115.64 115.52 3mg1 s THR 270 Ca 0.09 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 3mg1 s THR 270 Cb -0.09 -2.11 0.00 0.00 1.34 0.00 0.00 72.50 71.64 3mg1 s THR 270 CO -0.01 -0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.52 3mg1 n GLY 271 N 0.18 -0.75 3.31 3.99 0.00 -0.40 -0.49 105.19 111.03 3mg1 n GLY 271 Ca -0.12 -0.36 -0.20 0.00 0.00 0.00 0.00 46.02 45.34 3mg1 n GLY 271 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mg1 s LYS 272 N -0.51 1.21 -0.00 1.61 1.02 -0.63 -1.13 119.74 121.32 3mg1 s LYS 272 Ca 0.00 -1.39 0.02 0.00 0.02 0.00 0.00 55.97 54.62 3mg1 s LYS 272 Cb 0.00 -1.16 -0.01 0.00 -0.52 0.00 0.00 37.83 36.15 3mg1 s LYS 272 CO 0.00 0.22 -0.08 0.08 -0.92 0.00 0.00 175.35 174.65 3mg1 s VAL 273 N -2.26 0.62 -0.08 3.17 1.01 -0.36 -0.22 120.40 122.27 3mg1 s VAL 273 Ca 0.15 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.73 3mg1 s VAL 273 Cb -0.04 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.77 3mg1 s VAL 273 CO 0.05 0.13 -0.09 -1.10 0.00 0.00 0.00 175.10 174.09 3mg1 s GLN 274 N -0.32 2.91 0.04 2.72 -0.21 -0.19 -1.56 119.66 123.05 3mg1 s GLN 274 Ca 0.02 -0.59 -0.10 0.00 0.02 0.00 0.00 55.36 54.71 3mg1 s GLN 274 Cb -0.04 -2.60 -0.05 0.00 1.00 0.00 0.00 33.01 31.32 3mg1 s GLN 274 CO -0.00 0.54 0.36 -0.08 -2.12 0.00 0.00 175.29 173.99 3mg1 s THR 275 N -0.49 5.14 0.24 -0.19 -1.32 -1.26 -1.91 115.64 115.86 3mg1 s THR 275 Ca 0.07 0.45 0.33 0.00 -1.21 0.00 0.00 61.69 61.33 3mg1 s THR 275 Cb -0.12 -3.63 0.33 0.00 -1.51 0.00 0.00 72.50 67.57 3mg1 s THR 275 CO 0.02 0.37 2.02 1.55 -2.21 0.00 0.00 174.62 176.37 3mg1 h PRO 276 N 3.99 0.00 0.00 7.08 0.13 -1.88 0.16 132.00 141.48 3mg1 h PRO 276 Ca -0.50 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.59 3mg1 h PRO 276 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 3mg1 h PRO 276 CO 0.65 0.00 -0.20 -1.49 -0.23 0.00 0.00 178.00 176.73 3mg1 h TRP 277 N 0.00 0.00 0.00 1.56 4.06 -1.93 -3.35 115.95 116.29 3mg1 h TRP 277 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3mg1 h TRP 277 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 3mg1 h TRP 277 CO 0.00 0.20 -0.15 1.19 -3.56 0.00 0.00 178.44 176.12 3mg1 n PHE 278 N -3.63 0.00 -3.85 0.49 3.72 -0.66 -0.49 117.46 113.04 3mg1 n PHE 278 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 3mg1 n PHE 278 Cb 0.33 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 3mg1 n PHE 278 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mg1 n GLY 279 N 0.67 2.80 0.00 1.37 0.00 0.46 -2.28 105.19 108.20 3mg1 n GLY 279 Ca 0.00 -0.33 0.12 0.00 0.00 0.00 0.00 46.02 45.81 3mg1 n GLY 279 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mg1 n GLY 280 N 0.00 -0.99 0.22 -0.02 0.00 -1.26 -3.31 105.19 99.83 3mg1 n GLY 280 Ca 0.00 -0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.04 3mg1 n GLY 280 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3mg1 h ASN 281 N 0.00 0.00 -3.32 1.61 2.35 -1.86 -3.40 115.58 110.97 3mg1 h ASN 281 Ca 0.00 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.23 3mg1 h ASN 281 Cb 0.17 0.00 -0.39 0.00 0.05 0.00 0.00 38.32 38.15 3mg1 h ASN 281 CO 0.00 0.00 -0.77 -0.69 -1.65 0.00 0.00 177.43 174.32 3mg1 s VAL 282 N -3.39 0.75 -0.38 2.81 1.01 -1.21 -5.07 120.40 114.93 3mg1 s VAL 282 Ca 0.05 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.39 3mg1 s VAL 282 Cb 0.08 -1.09 0.03 0.00 0.00 0.00 0.00 36.38 35.40 3mg1 s VAL 282 CO 0.58 -0.03 0.21 -0.83 0.00 0.00 0.00 175.10 175.02 3mg1 s GLY 283 N 1.77 1.93 0.08 4.51 0.00 -1.26 -4.59 107.32 109.76 3mg1 s GLY 283 Ca 0.00 -1.72 -0.28 0.00 0.00 0.00 0.00 44.72 42.72 3mg1 s GLY 283 CO -0.07 0.85 0.87 1.06 0.00 0.00 0.00 173.10 175.81 3mg1 s MET 284 N 1.55 4.61 -0.22 2.90 -1.94 -0.60 -4.79 119.30 120.81 3mg1 s MET 284 Ca 0.02 1.28 -0.26 0.00 -1.71 0.00 0.00 55.69 55.02 3mg1 s MET 284 Cb -0.19 -3.37 -0.00 0.00 2.01 0.00 0.00 34.83 33.28 3mg1 s MET 284 CO 0.07 0.24 0.90 -0.80 -0.01 0.00 0.00 175.02 175.42 3mg1 s ASN 285 N -0.03 6.95 0.03 3.03 0.01 -1.26 -1.23 114.94 122.45 3mg1 s ASN 285 Ca 0.43 1.19 0.04 0.00 -0.71 0.00 0.00 52.86 53.81 3mg1 s ASN 285 Cb -0.22 -2.48 -0.02 0.00 0.41 0.00 0.00 41.25 38.94 3mg1 s ASN 285 CO 0.27 -0.54 -0.12 -0.63 -1.51 0.00 0.00 177.10 174.57 3mg1 s ILE 286 N 2.79 0.93 0.04 0.60 -1.09 -0.28 -0.87 121.20 123.32 3mg1 s ILE 286 Ca 0.39 -0.87 0.08 0.00 -2.23 0.00 0.00 60.65 58.01 3mg1 s ILE 286 Cb -0.16 -0.85 -0.03 0.00 -1.58 0.00 0.00 42.46 39.84 3mg1 s ILE 286 CO 0.08 -0.01 -0.21 0.00 -1.23 0.00 0.00 174.94 173.57 3mg1 s ALA 287 N -0.79 2.49 -0.11 9.38 0.00 -0.22 -1.27 121.76 131.24 3mg1 s ALA 287 Ca 0.00 -1.22 -0.01 0.00 0.00 0.00 0.00 51.96 50.74 3mg1 s ALA 287 Cb -0.07 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.37 3mg1 s ALA 287 CO 0.01 0.56 -0.08 -1.58 0.00 0.00 0.00 175.76 174.66 3mg1 s TRP 288 N -0.89 2.91 -0.25 0.00 0.51 0.23 -0.65 118.94 120.79 3mg1 s TRP 288 Ca 0.14 -0.30 0.03 0.00 -2.12 0.00 0.00 56.10 53.84 3mg1 s TRP 288 Cb -0.10 -1.82 0.06 0.00 -0.81 0.00 0.00 33.47 30.79 3mg1 s TRP 288 CO 0.04 0.04 -0.10 1.03 -0.51 0.00 0.00 176.95 177.45 3mg1 s ARG 289 N -0.07 2.15 -0.12 4.98 0.52 0.33 -1.05 118.95 125.69 3mg1 s ARG 289 Ca -0.00 -1.28 -0.05 0.00 -0.52 0.00 0.00 55.73 53.88 3mg1 s ARG 289 Cb -0.13 -2.83 -0.04 0.00 0.52 0.00 0.00 34.95 32.47 3mg1 s ARG 289 CO 0.03 -0.57 0.09 -0.06 0.02 0.00 0.00 175.30 174.81 3mg1 s PHE 290 N 1.16 3.42 -0.23 -0.53 0.08 0.68 -1.13 117.98 121.42 3mg1 s PHE 290 Ca -0.08 0.37 0.02 0.00 0.12 0.00 0.00 56.93 57.36 3mg1 s PHE 290 Cb -0.20 -1.91 0.05 0.00 -0.57 0.00 0.00 43.02 40.39 3mg1 s PHE 290 CO -0.05 0.58 -0.14 -1.17 -0.10 0.00 0.00 175.22 174.34 3mg1 s LEU 291 N -0.81 3.02 -0.09 -0.37 2.96 0.46 -1.17 118.68 122.69 3mg1 s LEU 291 Ca 0.13 -1.15 -0.01 0.00 -0.22 0.00 0.00 54.13 52.88 3mg1 s LEU 291 Cb -0.12 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 3mg1 s LEU 291 CO 0.03 -0.13 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.15 3mg1 s LEU 292 N 1.17 3.43 1.08 -0.68 1.43 0.30 -1.19 118.68 124.23 3mg1 s LEU 292 Ca -0.04 0.07 -0.17 0.00 -1.03 0.00 0.00 54.13 52.95 3mg1 s LEU 292 Cb -0.18 -1.78 0.24 0.00 0.03 0.00 0.00 46.19 44.50 3mg1 s LEU 292 CO -0.08 0.35 1.20 0.54 0.23 0.00 0.00 176.35 178.60 3mg1 s ASN 293 N -0.72 2.02 0.58 2.29 2.20 0.01 -1.10 114.94 120.22 3mg1 s ASN 293 Ca 0.11 0.50 0.31 0.00 -0.94 0.00 0.00 52.86 52.84 3mg1 s ASN 293 Cb -0.11 -0.69 1.80 0.00 -2.00 0.00 0.00 41.25 40.25 3mg1 s ASN 293 CO 0.02 -3.43 2.22 -0.65 -2.94 0.00 0.00 177.10 172.32 3mg1 h PRO 294 N -2.11 0.00 -0.00 3.55 0.11 -1.86 -0.38 132.00 131.30 3mg1 h PRO 294 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3mg1 h PRO 294 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3mg1 h PRO 294 CO 0.38 0.03 -0.13 0.39 -0.21 0.00 0.00 178.00 178.46 3mg1 n GLU 295 N -3.70 0.77 -0.38 1.05 4.71 -1.26 -4.92 120.64 116.90 3mg1 n GLU 295 Ca -0.03 -0.31 0.00 0.00 -0.01 0.00 0.00 57.16 56.81 3mg1 n GLU 295 Cb 0.12 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.06 3mg1 n GLU 295 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3mg1 n GLY 296 N 1.28 0.80 3.81 0.62 0.00 -0.15 -5.07 105.19 106.48 3mg1 n GLY 296 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 3mg1 n GLY 296 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mg1 s LYS 297 N -0.62 4.28 -0.45 1.61 -0.14 -1.26 -4.75 119.74 118.41 3mg1 s LYS 297 Ca 0.00 1.07 -0.29 0.00 -1.36 0.00 0.00 55.97 55.39 3mg1 s LYS 297 Cb 0.00 -2.45 0.02 0.00 -1.68 0.00 0.00 37.83 33.72 3mg1 s LYS 297 CO 0.00 0.12 1.33 0.42 -0.76 0.00 0.00 175.35 176.46 3mg1 s ILE 298 N -1.94 3.98 0.03 2.17 1.01 0.90 -0.81 121.20 126.55 3mg1 s ILE 298 Ca 0.56 0.98 -0.03 0.00 0.00 0.00 0.00 60.65 62.16 3mg1 s ILE 298 Cb -0.12 -4.36 -0.28 0.00 0.01 0.00 0.00 42.46 37.71 3mg1 s ILE 298 CO 0.17 -0.90 0.95 0.15 0.00 0.00 0.00 174.94 175.32 3mg1 h PHE 299 N 10.30 0.45 -2.47 3.97 3.57 -1.48 -1.29 116.94 129.99 3mg1 h PHE 299 Ca -0.26 -0.33 -0.08 0.00 3.53 0.00 0.00 57.97 60.83 3mg1 h PHE 299 Cb 1.09 -0.02 -0.24 0.00 2.79 0.00 0.00 35.95 39.57 3mg1 h PHE 299 CO 0.98 1.33 -0.16 0.12 -2.23 0.00 0.00 178.31 178.35 3mg1 s PHE 300 N -2.63 -0.67 -0.05 0.41 5.36 -1.05 -1.37 117.98 117.99 3mg1 s PHE 300 Ca -0.07 1.48 0.01 0.00 -0.96 0.00 0.00 56.93 57.39 3mg1 s PHE 300 Cb 0.07 0.30 0.02 0.00 -0.34 0.00 0.00 43.02 43.07 3mg1 s PHE 300 CO 0.86 -0.35 -0.04 0.54 -1.46 0.00 0.00 175.22 174.77 3mg1 s VAL 301 N 0.96 0.54 -0.05 3.12 0.11 -0.54 -0.40 120.40 124.13 3mg1 s VAL 301 Ca -0.06 -0.11 -0.00 0.00 -2.93 0.00 0.00 61.98 58.88 3mg1 s VAL 301 Cb -0.06 -0.57 -0.03 0.00 -1.53 0.00 0.00 36.38 34.19 3mg1 s VAL 301 CO -0.08 0.23 0.00 0.00 -3.33 0.00 0.00 175.10 171.92 3mg1 s ALA 302 N 1.00 3.29 -0.19 1.54 0.00 -0.28 -0.47 121.76 126.64 3mg1 s ALA 302 Ca -0.10 -0.87 -0.00 0.00 0.00 0.00 0.00 51.96 50.99 3mg1 s ALA 302 Cb -0.14 -1.42 0.01 0.00 0.00 0.00 0.00 23.12 21.57 3mg1 s ALA 302 CO -0.00 0.62 -0.16 0.42 0.00 0.00 0.00 175.76 176.63 3mg1 s ILE 303 N -0.97 2.39 -0.04 0.00 1.09 0.11 -0.51 121.20 123.26 3mg1 s ILE 303 Ca 0.16 -0.84 0.05 0.00 -1.10 0.00 0.00 60.65 58.92 3mg1 s ILE 303 Cb -0.11 -2.04 -0.02 0.00 -1.06 0.00 0.00 42.46 39.23 3mg1 s ILE 303 CO 0.06 0.50 -0.19 -1.81 -0.10 0.00 0.00 174.94 173.40 3mg1 s ASP 304 N 1.33 3.63 -0.23 3.58 1.01 0.17 -2.02 116.67 124.15 3mg1 s ASP 304 Ca 0.05 -0.31 -0.24 0.00 0.71 0.00 0.00 52.55 52.75 3mg1 s ASP 304 Cb -0.13 -0.71 -0.01 0.00 1.01 0.00 0.00 42.92 43.08 3mg1 s ASP 304 CO -0.10 0.32 0.82 -0.22 0.21 0.00 0.00 175.17 176.19 3mg1 s LEU 305 N -0.60 4.10 0.37 1.23 2.96 -1.26 -1.05 118.68 124.42 3mg1 s LEU 305 Ca 0.09 1.04 -0.22 0.00 -0.22 0.00 0.00 54.13 54.82 3mg1 s LEU 305 Cb -0.11 -3.17 -0.10 0.00 0.50 0.00 0.00 46.19 43.31 3mg1 s LEU 305 CO 0.00 -0.48 0.90 -0.76 -1.32 0.00 0.00 176.35 174.69 3mg1 s LEU 306 N 2.69 4.11 0.33 -0.68 1.43 -0.05 -0.52 118.68 125.98 3mg1 s LEU 306 Ca 0.35 1.66 0.02 0.00 -1.03 0.00 0.00 54.13 55.13 3mg1 s LEU 306 Cb -0.15 -4.25 0.57 0.00 0.03 0.00 0.00 46.19 42.39 3mg1 s LEU 306 CO 0.08 -0.22 1.94 0.00 0.23 0.00 0.00 176.35 178.38 3mg1 h ALA 307 N 2.45 1.43 -2.90 4.21 0.00 -1.37 -3.38 119.26 119.70 3mg1 h ALA 307 Ca -0.48 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.38 3mg1 h ALA 307 Cb 1.18 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 3mg1 h ALA 307 CO 0.63 0.45 0.29 -1.54 0.00 0.00 0.00 179.25 179.09 3mg1 s SER 308 N -6.54 -0.16 0.47 0.00 1.04 -1.26 -4.86 113.70 102.38 3mg1 s SER 308 Ca -0.10 -0.74 0.32 0.00 0.48 0.00 0.00 55.95 55.91 3mg1 s SER 308 Cb 0.17 0.72 1.57 0.00 0.10 0.00 0.00 66.02 68.58 3mg1 s SER 308 CO 0.77 -1.37 1.96 -0.65 0.98 0.00 0.00 173.24 174.93 3mg1 h PRO 309 N 2.00 0.00 0.00 4.02 0.11 -1.98 -1.54 132.00 134.60 3mg1 h PRO 309 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3mg1 h PRO 309 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3mg1 h PRO 309 CO 0.29 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.71 3mg1 n LYS 310 N -2.68 0.26 0.00 1.05 4.76 -1.26 -1.99 118.16 118.29 3mg1 n LYS 310 Ca -0.01 0.12 0.11 0.00 -2.87 0.00 0.00 58.31 55.66 3mg1 n LYS 310 Cb 0.14 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 31.83 3mg1 n LYS 310 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3mg1 n GLU 311 N -1.23 0.38 0.00 1.97 -0.58 -0.58 -5.12 120.64 115.48 3mg1 n GLU 311 Ca 0.08 -0.30 0.11 0.00 -0.42 0.00 0.00 57.16 56.62 3mg1 n GLU 311 Cb 0.10 -1.49 0.63 0.00 -0.57 0.00 0.00 31.44 30.11 3mg1 n GLU 311 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93