#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mg9 s SER 0 N -2.02 -0.63 0.24 0.00 1.04 -1.26 -4.99 113.70 106.08 3mg9 s SER 0 Ca 0.16 0.85 -0.31 0.00 0.48 0.00 0.00 55.95 57.12 3mg9 s SER 0 Cb -0.04 0.73 -0.13 0.00 0.10 0.00 0.00 66.02 66.68 3mg9 s SER 0 CO 0.53 -0.47 1.49 0.80 0.98 0.00 0.00 173.24 176.57 3mg9 n MET 1 N 1.34 2.25 -1.95 4.02 0.00 -1.26 -4.91 117.12 116.61 3mg9 n MET 1 Ca -0.16 0.80 -0.31 0.00 0.00 0.00 0.00 57.70 58.03 3mg9 n MET 1 Cb 0.57 -2.51 0.01 0.00 0.00 0.00 0.00 33.22 31.28 3mg9 n MET 1 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 3mg9 s ASN 2 N 0.47 6.25 0.00 6.12 0.01 -1.26 -4.35 114.94 122.18 3mg9 s ASN 2 Ca 0.69 1.40 0.00 0.00 -0.71 0.00 0.00 52.86 54.23 3mg9 s ASN 2 Cb -0.61 -2.46 0.00 0.00 0.41 0.00 0.00 41.25 38.59 3mg9 s ASN 2 CO 0.47 -0.84 0.00 0.61 -1.51 0.00 0.00 177.10 175.83 3mg9 n GLY 3 N -2.65 0.97 3.75 0.66 0.00 -1.09 -4.61 105.19 102.22 3mg9 n GLY 3 Ca 0.06 -2.26 -0.40 0.00 0.00 0.00 0.00 46.02 43.42 3mg9 n GLY 3 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mg9 s ILE 4 N -1.04 4.08 -0.33 -0.61 1.01 0.24 -1.85 121.20 122.70 3mg9 s ILE 4 Ca 0.00 2.05 -0.02 0.00 0.00 0.00 0.00 60.65 62.68 3mg9 s ILE 4 Cb 0.00 -4.29 0.07 0.00 0.01 0.00 0.00 42.46 38.25 3mg9 s ILE 4 CO 0.00 0.46 0.06 -0.13 0.00 0.00 0.00 174.94 175.34 3mg9 s ARG 5 N -1.27 2.29 -0.07 2.79 3.00 0.11 -0.67 118.95 125.13 3mg9 s ARG 5 Ca 0.42 -1.43 -0.27 0.00 0.00 0.00 0.00 55.73 54.45 3mg9 s ARG 5 Cb -0.25 -3.31 -0.02 0.00 0.00 0.00 0.00 34.95 31.36 3mg9 s ARG 5 CO 0.31 -0.76 0.88 -1.58 0.00 0.00 0.00 175.30 174.16 3mg9 s TRP 6 N 1.22 3.56 -0.71 -0.53 0.52 -0.64 -0.88 118.94 121.48 3mg9 s TRP 6 Ca -0.01 1.47 -0.10 0.00 0.02 0.00 0.00 56.10 57.49 3mg9 s TRP 6 Cb -0.20 -3.03 0.18 0.00 -1.15 0.00 0.00 33.47 29.27 3mg9 s TRP 6 CO -0.02 -0.08 0.59 0.42 0.02 0.00 0.00 176.95 177.89 3mg9 s ILE 7 N 1.40 4.76 0.01 2.03 -1.09 0.30 -1.29 121.20 127.32 3mg9 s ILE 7 Ca 0.45 -2.54 0.04 0.00 -2.23 0.00 0.00 60.65 56.36 3mg9 s ILE 7 Cb -0.19 -4.01 -0.03 0.00 -1.58 0.00 0.00 42.46 36.65 3mg9 s ILE 7 CO 0.20 -0.94 -0.08 0.00 -1.23 0.00 0.00 174.94 172.89 3mg9 s ALA 8 N 0.26 2.98 0.04 9.38 0.00 -0.48 -2.14 121.76 131.81 3mg9 s ALA 8 Ca 0.16 -1.04 -0.28 0.00 0.00 0.00 0.00 51.96 50.80 3mg9 s ALA 8 Cb -0.16 -1.09 0.09 0.00 0.00 0.00 0.00 23.12 21.96 3mg9 s ALA 8 CO -0.06 0.61 0.91 -1.54 0.00 0.00 0.00 175.76 175.69 3mg9 s SER 9 N -1.45 -0.31 0.89 0.00 1.04 -1.07 -1.16 113.70 111.64 3mg9 s SER 9 Ca 0.17 -0.11 -0.10 0.00 0.48 0.00 0.00 55.95 56.39 3mg9 s SER 9 Cb -0.11 0.41 0.13 0.00 0.10 0.00 0.00 66.02 66.55 3mg9 s SER 9 CO 0.08 -0.69 1.14 -0.47 0.98 0.00 0.00 173.24 174.27 3mg9 s TYR 10 N -3.15 1.78 0.12 5.02 5.04 -1.26 -4.09 117.35 120.81 3mg9 s TYR 10 Ca 0.07 1.75 -0.35 0.00 -2.44 0.00 0.00 57.07 56.11 3mg9 s TYR 10 Cb -0.01 -3.29 -0.14 0.00 0.35 0.00 0.00 41.96 38.86 3mg9 s TYR 10 CO -0.06 -2.64 1.54 -2.30 -1.34 0.00 0.00 175.55 170.75 3mg9 n PRO 11 N -4.12 1.90 -1.05 4.97 -0.02 -1.26 -1.75 135.00 133.67 3mg9 n PRO 11 Ca 0.11 0.69 -0.02 0.00 -2.02 0.00 0.00 63.50 62.26 3mg9 n PRO 11 Cb 0.52 -2.43 -0.01 0.00 -0.02 0.00 0.00 33.50 31.57 3mg9 n PRO 11 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3mg9 n LYS 12 N 3.41 -0.56 0.00 -0.52 4.76 -1.26 -4.87 118.16 119.11 3mg9 n LYS 12 Ca 0.18 0.31 0.12 0.00 -2.87 0.00 0.00 58.31 56.05 3mg9 n LYS 12 Cb 0.26 -3.86 0.15 0.00 -1.84 0.00 0.00 35.03 29.74 3mg9 n LYS 12 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3mg9 n ALA 13 N 1.03 3.02 0.00 7.82 0.00 -0.72 -4.78 120.51 126.89 3mg9 n ALA 13 Ca -0.02 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.82 3mg9 n ALA 13 Cb 0.17 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.73 3mg9 n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mg9 n GLY 14 N 1.36 1.20 0.33 0.00 0.00 -1.26 -4.29 105.19 102.52 3mg9 n GLY 14 Ca 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.14 3mg9 n GLY 14 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 3mg9 h ASN 15 N 0.00 0.77 -0.41 1.61 -1.07 -1.86 -1.67 115.58 112.96 3mg9 h ASN 15 Ca 0.00 -0.06 -0.03 0.00 0.07 0.00 0.00 56.30 56.28 3mg9 h ASN 15 Cb 0.00 -0.20 -0.02 0.00 -2.07 0.00 0.00 38.32 36.04 3mg9 h ASN 15 CO 0.00 0.63 0.12 0.74 0.07 0.00 0.00 177.43 178.99 3mg9 h THR 16 N 0.87 1.22 -0.37 6.14 2.02 -1.96 -1.41 112.91 119.43 3mg9 h THR 16 Ca 0.22 -0.73 0.03 0.00 0.77 0.00 0.00 66.41 66.70 3mg9 h THR 16 Cb 0.03 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 3mg9 h THR 16 CO -0.04 0.26 0.17 -0.25 0.37 0.00 0.00 175.52 176.03 3mg9 h TRP 17 N 0.52 0.31 -0.66 3.16 7.01 -1.79 -1.23 115.95 123.27 3mg9 h TRP 17 Ca 0.13 0.02 -0.08 0.00 2.11 0.00 0.00 58.89 61.07 3mg9 h TRP 17 Cb 0.27 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.22 3mg9 h TRP 17 CO 0.01 0.16 0.10 0.28 -2.79 0.00 0.00 178.44 176.20 3mg9 h VAL 18 N 0.35 1.26 -0.34 2.65 2.07 -1.22 -1.99 116.25 119.03 3mg9 h VAL 18 Ca 0.16 -1.04 -0.06 0.00 0.82 0.00 0.00 66.70 66.58 3mg9 h VAL 18 Cb 0.09 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 3mg9 h VAL 18 CO -0.12 0.39 -0.04 -0.09 0.02 0.00 0.00 177.57 177.72 3mg9 h ARG 19 N 1.02 0.55 -0.14 1.57 9.65 -0.81 0.61 114.38 126.83 3mg9 h ARG 19 Ca 0.20 -0.13 -0.22 0.00 -1.10 0.00 0.00 59.98 58.72 3mg9 h ARG 19 Cb 0.45 -0.07 0.01 0.00 -1.39 0.00 0.00 29.97 28.97 3mg9 h ARG 19 CO 0.01 0.61 -0.78 0.00 2.80 0.00 0.00 179.97 182.61 3mg9 h MET 21 N 0.50 1.09 -0.21 0.00 2.86 -1.07 -1.45 114.93 116.64 3mg9 h MET 21 Ca -0.06 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.46 3mg9 h MET 21 Cb 1.41 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.81 3mg9 h MET 21 CO 0.16 0.72 -0.11 -0.07 1.06 0.00 0.00 176.91 178.67 3mg9 h LEU 22 N 1.13 0.32 -0.58 1.22 3.38 -0.75 -0.07 115.31 119.96 3mg9 h LEU 22 Ca 0.35 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 58.12 3mg9 h LEU 22 Cb -0.02 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3mg9 h LEU 22 CO -0.11 0.47 -0.26 0.00 0.09 0.00 0.00 178.44 178.63 3mg9 h ALA 23 N 1.57 0.77 -0.31 1.53 0.00 -0.58 0.86 119.26 123.10 3mg9 h ALA 23 Ca 0.07 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 3mg9 h ALA 23 Cb 0.40 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3mg9 h ALA 23 CO 0.02 0.65 0.02 0.00 0.00 0.00 0.00 179.25 179.95 3mg9 h ALA 24 N 0.97 0.41 -0.66 0.00 0.00 -0.87 -0.14 119.26 118.97 3mg9 h ALA 24 Ca 0.09 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.82 3mg9 h ALA 24 Cb 0.80 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 3mg9 h ALA 24 CO 0.07 0.14 0.39 -0.92 0.00 0.00 0.00 179.25 178.92 3mg9 h TYR 25 N 0.33 0.72 0.14 0.00 3.20 -0.73 0.80 116.97 121.43 3mg9 h TYR 25 Ca 0.09 0.02 -0.23 0.00 3.14 0.00 0.00 58.73 61.75 3mg9 h TYR 25 Cb 0.40 -0.23 0.02 0.00 1.54 0.00 0.00 36.73 38.46 3mg9 h TYR 25 CO 0.03 0.38 -1.06 0.82 -1.64 0.00 0.00 178.16 176.68 3mg9 h ILE 26 N 0.74 1.34 0.00 1.81 2.04 -0.77 -3.40 117.51 119.27 3mg9 h ILE 26 Ca 0.28 -2.51 -0.16 0.00 1.00 0.00 0.00 64.86 63.47 3mg9 h ILE 26 Cb 0.10 3.04 -0.03 0.00 -0.74 0.00 0.00 36.82 39.19 3mg9 h ILE 26 CO -0.14 0.72 -2.13 0.35 0.00 0.00 0.00 178.15 176.95 3mg9 n THR 27 N -4.03 0.59 0.00 -0.27 -2.24 -0.07 -4.99 114.28 103.27 3mg9 n THR 27 Ca -0.18 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 3mg9 n THR 27 Cb 0.87 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 3mg9 n THR 27 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mg9 n GLY 28 N 1.52 1.64 3.02 3.38 0.00 0.27 -5.04 105.19 109.98 3mg9 n GLY 28 Ca -0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 3mg9 n GLY 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mg9 s LYS 29 N -0.10 0.27 0.63 1.61 0.00 -1.24 -4.88 119.74 116.03 3mg9 s LYS 29 Ca 0.00 -0.16 -0.09 0.00 0.00 0.00 0.00 55.97 55.72 3mg9 s LYS 29 Cb 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 37.83 37.93 3mg9 s LYS 29 CO 0.00 -0.05 1.00 0.00 0.00 0.00 0.00 175.35 176.30 3mg9 s ALA 30 N -0.65 3.11 0.76 0.59 0.00 -1.26 -3.60 121.76 120.70 3mg9 s ALA 30 Ca -0.07 -0.34 -0.15 0.00 0.00 0.00 0.00 51.96 51.40 3mg9 s ALA 30 Cb -0.04 -2.91 0.01 0.00 0.00 0.00 0.00 23.12 20.18 3mg9 s ALA 30 CO 0.00 -0.82 0.86 -2.30 0.00 0.00 0.00 175.76 173.51 3mg9 n PRO 31 N -2.74 0.34 -0.12 0.00 -0.02 -1.26 -4.91 135.00 126.29 3mg9 n PRO 31 Ca 0.05 0.17 -0.12 0.00 -2.02 0.00 0.00 63.50 61.58 3mg9 n PRO 31 Cb 0.56 -2.14 -0.03 0.00 -0.02 0.00 0.00 33.50 31.87 3mg9 n PRO 31 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 3mg9 h GLN 32 N -0.50 0.72 -4.84 -0.52 -0.00 -1.98 -3.40 115.11 104.59 3mg9 h GLN 32 Ca -0.46 -0.31 -0.68 0.00 -0.00 0.00 0.00 58.65 57.20 3mg9 h GLN 32 Cb 1.33 -0.02 -0.31 0.00 -0.00 0.00 0.00 27.48 28.48 3mg9 h GLN 32 CO 0.45 0.91 -0.70 0.08 -0.00 0.00 0.00 178.83 179.57 3mg9 s VAL 33 N -4.63 3.21 0.44 1.86 1.01 -1.26 -5.00 120.40 116.04 3mg9 s VAL 33 Ca -0.13 -1.03 0.12 0.00 0.00 0.00 0.00 61.98 60.95 3mg9 s VAL 33 Cb 0.09 -2.69 0.21 0.00 0.00 0.00 0.00 36.38 33.99 3mg9 s VAL 33 CO 0.82 0.08 2.02 -0.50 0.00 0.00 0.00 175.10 177.52 3mg9 h TRP 34 N 8.07 0.15 0.00 5.22 4.06 -1.99 -1.06 115.95 130.41 3mg9 h TRP 34 Ca -0.29 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.65 3mg9 h TRP 34 Cb 1.10 -0.05 0.00 0.00 -1.00 0.00 0.00 29.16 29.21 3mg9 h TRP 34 CO 0.59 0.21 0.00 0.09 -3.56 0.00 0.00 178.44 175.77 3mg9 n ASN 35 N -4.39 0.00 -1.33 -3.49 3.02 -1.26 -1.79 115.26 106.02 3mg9 n ASN 35 Ca -0.01 -0.65 0.08 0.00 -0.03 0.00 0.00 54.58 53.97 3mg9 n ASN 35 Cb 0.18 -0.03 0.31 0.00 -0.61 0.00 0.00 39.78 39.63 3mg9 n ASN 35 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3mg9 n ASP 36 N -1.03 4.50 0.05 6.41 8.00 -0.40 -4.64 116.55 129.43 3mg9 n ASP 36 Ca 0.17 -2.68 0.14 0.00 0.71 0.00 0.00 54.79 53.14 3mg9 n ASP 36 Cb 0.09 -0.55 0.62 0.00 -0.02 0.00 0.00 41.12 41.27 3mg9 n ASP 36 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3mg9 h ILE 37 N 3.11 0.86 0.00 0.53 6.09 -1.45 -0.88 117.51 125.76 3mg9 h ILE 37 Ca 0.00 -0.04 -0.02 0.00 -1.37 0.00 0.00 64.86 63.43 3mg9 h ILE 37 Cb 1.48 0.73 -0.00 0.00 0.47 0.00 0.00 36.82 39.50 3mg9 h ILE 37 CO 0.26 0.02 -0.07 0.44 -3.07 0.00 0.00 178.15 175.73 3mg9 h ASP 38 N 0.12 0.00 -0.01 2.19 5.19 -1.82 -1.98 116.42 120.10 3mg9 h ASP 38 Ca 0.19 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.53 3mg9 h ASP 38 Cb 0.60 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.09 3mg9 h ASP 38 CO -0.02 0.07 -0.18 0.00 -3.12 0.00 0.00 179.24 175.99 3mg9 h ALA 39 N 1.93 1.31 -0.01 3.45 0.00 -1.53 -3.26 119.26 121.16 3mg9 h ALA 39 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3mg9 h ALA 39 Cb 0.25 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3mg9 h ALA 39 CO 0.01 0.46 0.00 -0.85 0.00 0.00 0.00 179.25 178.87 3mg9 n GLU 40 N -4.20 1.40 -3.83 0.00 0.28 -0.78 -5.04 120.64 108.47 3mg9 n GLU 40 Ca -0.00 -2.54 -0.07 0.00 -0.16 0.00 0.00 57.16 54.38 3mg9 n GLU 40 Cb 0.33 -1.49 0.01 0.00 1.43 0.00 0.00 31.44 31.72 3mg9 n GLU 40 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3mg9 s SER 41 N -2.77 -0.09 -0.49 -1.84 1.04 -0.96 -5.11 113.70 103.48 3mg9 s SER 41 Ca 0.31 -0.89 -0.18 0.00 0.48 0.00 0.00 55.95 55.66 3mg9 s SER 41 Cb 0.27 0.76 0.06 0.00 0.10 0.00 0.00 66.02 67.21 3mg9 s SER 41 CO 0.03 -1.48 0.56 -0.76 0.98 0.00 0.00 173.24 172.57 3mg9 s LEU 42 N -3.04 5.09 -0.27 2.42 1.43 -1.26 -4.65 118.68 118.40 3mg9 s LEU 42 Ca 0.14 -0.97 -0.06 0.00 -1.03 0.00 0.00 54.13 52.22 3mg9 s LEU 42 Cb -0.05 -2.39 0.00 0.00 0.03 0.00 0.00 46.19 43.78 3mg9 s LEU 42 CO 0.09 -0.82 0.04 -0.89 0.23 0.00 0.00 176.35 175.00 3mg9 s THR 43 N 2.39 3.78 0.19 5.49 2.01 -1.26 -1.07 115.64 127.17 3mg9 s THR 43 Ca 0.13 -0.60 -0.14 0.00 0.31 0.00 0.00 61.69 61.39 3mg9 s THR 43 Cb -0.20 -2.87 0.16 0.00 0.01 0.00 0.00 72.50 69.60 3mg9 s THR 43 CO 0.11 0.21 1.66 0.25 -0.69 0.00 0.00 174.62 176.16 3mg9 h LEU 44 N 8.18 -0.37 -0.50 4.42 5.85 -1.60 0.83 115.31 132.12 3mg9 h LEU 44 Ca -0.35 0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.55 3mg9 h LEU 44 Cb 1.14 0.28 -0.04 0.00 0.37 0.00 0.00 40.66 42.41 3mg9 h LEU 44 CO 0.60 -0.14 0.28 -0.33 -0.34 0.00 0.00 178.44 178.51 3mg9 h GLU 45 N 0.05 0.55 -0.58 1.25 3.07 -1.96 0.15 114.58 117.12 3mg9 h GLU 45 Ca 0.26 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 59.04 3mg9 h GLU 45 Cb 0.41 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.17 3mg9 h GLU 45 CO -0.50 0.36 0.16 0.00 -1.40 0.00 0.00 179.01 177.63 3mg9 h ALA 46 N 1.24 0.76 -0.47 3.43 0.00 -1.62 -2.71 119.26 119.89 3mg9 h ALA 46 Ca 0.21 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3mg9 h ALA 46 Cb 0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3mg9 h ALA 46 CO -0.11 0.44 0.24 0.52 0.00 0.00 0.00 179.25 180.34 3mg9 h MET 47 N 0.82 0.67 -0.29 0.00 2.86 -0.27 -2.82 114.93 115.90 3mg9 h MET 47 Ca 0.18 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3mg9 h MET 47 Cb 0.32 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 3mg9 h MET 47 CO -0.00 0.55 0.18 -0.07 1.06 0.00 0.00 176.91 178.63 3mg9 h LEU 48 N 0.62 0.33 -1.82 1.22 3.38 -0.61 -0.50 115.31 117.93 3mg9 h LEU 48 Ca 0.16 -0.01 0.17 0.00 0.09 0.00 0.00 57.88 58.29 3mg9 h LEU 48 Cb 0.09 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3mg9 h LEU 48 CO -0.02 0.25 0.47 0.03 0.09 0.00 0.00 178.44 179.26 3mg9 h ARG 49 N 0.39 0.17 -0.48 1.13 3.08 -1.21 -0.61 114.38 116.84 3mg9 h ARG 49 Ca 0.10 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3mg9 h ARG 49 Cb -0.03 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 29.99 3mg9 h ARG 49 CO -0.02 0.11 0.00 1.19 -1.07 0.00 0.00 179.97 180.18 3mg9 n PHE 50 N -4.41 0.63 -1.08 3.04 3.72 -0.43 -4.92 117.46 114.01 3mg9 n PHE 50 Ca 0.13 -0.32 -0.03 0.00 -0.05 0.00 0.00 57.45 57.19 3mg9 n PHE 50 Cb 0.63 -0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.16 3mg9 n PHE 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mg9 n GLY 51 N 1.56 0.57 3.90 1.37 0.00 -0.24 -5.03 105.19 107.32 3mg9 n GLY 51 Ca 0.21 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 3mg9 n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3mg9 s ASP 52 N -2.43 6.41 0.02 1.61 2.15 -0.33 -4.96 116.67 119.15 3mg9 s ASP 52 Ca 0.00 0.82 0.00 0.00 0.43 0.00 0.00 52.55 53.80 3mg9 s ASP 52 Cb 0.00 -2.19 -0.02 0.00 -0.30 0.00 0.00 42.92 40.41 3mg9 s ASP 52 CO 0.00 -0.33 -0.04 -0.76 -0.17 0.00 0.00 175.17 173.88 3mg9 s LEU 53 N -3.93 2.24 0.73 -1.34 1.43 -1.26 -3.50 118.68 113.04 3mg9 s LEU 53 Ca 0.46 -0.50 -0.16 0.00 -1.03 0.00 0.00 54.13 52.91 3mg9 s LEU 53 Cb -0.10 0.06 0.04 0.00 0.03 0.00 0.00 46.19 46.22 3mg9 s LEU 53 CO 0.34 -0.28 1.25 -2.84 0.23 0.00 0.00 176.35 175.05 3mg9 s PRO 54 N -1.44 2.07 0.22 1.29 0.02 -1.26 -4.92 135.00 130.98 3mg9 s PRO 54 Ca -0.15 1.91 -0.32 0.00 0.02 0.00 0.00 61.00 62.47 3mg9 s PRO 54 Cb -0.10 -1.81 -0.12 0.00 0.02 0.00 0.00 34.50 32.50 3mg9 s PRO 54 CO -0.01 -1.93 1.70 -2.30 -0.33 0.00 0.00 177.00 174.14 3mg9 n PRO 55 N -2.63 2.77 0.00 5.54 -0.02 -1.26 -4.88 135.00 134.52 3mg9 n PRO 55 Ca 0.15 1.00 0.14 0.00 -2.02 0.00 0.00 63.50 62.76 3mg9 n PRO 55 Cb 0.49 -2.83 0.59 0.00 -0.02 0.00 0.00 33.50 31.73 3mg9 n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mg9 n ALA 56 N 3.66 2.47 -3.13 3.55 0.00 -1.26 -4.04 120.51 121.76 3mg9 n ALA 56 Ca 0.15 -0.13 -0.18 0.00 0.00 0.00 0.00 53.44 53.28 3mg9 n ALA 56 Cb 0.35 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.35 3mg9 n ALA 56 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3mg9 n GLU 57 N -1.49 0.93 -1.79 0.00 4.07 -1.26 -4.58 120.64 116.52 3mg9 n GLU 57 Ca 0.07 -3.16 -0.41 0.00 -0.06 0.00 0.00 57.16 53.61 3mg9 n GLU 57 Cb 0.33 -1.55 -0.00 0.00 -0.06 0.00 0.00 31.44 30.16 3mg9 n GLU 57 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 3mg9 s PRO 58 N -1.86 4.11 -0.05 5.31 0.04 -1.26 -4.92 135.00 136.37 3mg9 s PRO 58 Ca 0.37 2.58 0.17 0.00 0.04 0.00 0.00 61.00 64.16 3mg9 s PRO 58 Cb 0.31 -2.97 0.57 0.00 0.04 0.00 0.00 34.50 32.45 3mg9 s PRO 58 CO -0.09 -0.55 1.47 -1.33 0.04 0.00 0.00 177.00 176.53 3mg9 n MET 59 N 0.72 2.90 -3.64 4.56 2.00 -1.26 -4.35 117.12 118.04 3mg9 n MET 59 Ca 0.02 -2.29 -0.01 0.00 0.00 0.00 0.00 57.70 55.42 3mg9 n MET 59 Cb 0.39 -1.65 -0.01 0.00 0.00 0.00 0.00 33.22 31.95 3mg9 n MET 59 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 175.97 174.14 3mg9 s GLU 60 N -1.54 0.62 0.20 0.03 -1.05 -1.26 -4.97 118.70 110.72 3mg9 s GLU 60 Ca 0.42 -0.33 -0.32 0.00 -0.15 0.00 0.00 54.97 54.59 3mg9 s GLU 60 Cb 0.25 0.22 -0.11 0.00 -0.44 0.00 0.00 34.13 34.04 3mg9 s GLU 60 CO 0.23 -0.28 1.70 -2.14 0.95 0.00 0.00 175.26 175.72 3mg9 s PRO 61 N -2.69 4.14 -0.10 -4.83 0.02 -1.26 -2.69 135.00 127.59 3mg9 s PRO 61 Ca 0.12 2.56 -0.00 0.00 0.02 0.00 0.00 61.00 63.70 3mg9 s PRO 61 Cb 0.02 -3.11 0.02 0.00 0.02 0.00 0.00 34.50 31.46 3mg9 s PRO 61 CO -0.03 -0.73 -0.06 0.08 -0.33 0.00 0.00 177.00 175.93 3mg9 s VAL 62 N 1.23 0.91 -0.18 3.83 1.01 -0.77 -4.94 120.40 121.49 3mg9 s VAL 62 Ca 0.74 -0.22 -0.23 0.00 0.00 0.00 0.00 61.98 62.27 3mg9 s VAL 62 Cb -0.48 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 3mg9 s VAL 62 CO 0.32 0.35 0.74 -0.76 0.00 0.00 0.00 175.10 175.74 3mg9 s LEU 63 N 1.71 4.16 -0.08 3.92 1.43 -1.26 0.06 118.68 128.61 3mg9 s LEU 63 Ca 0.04 1.01 0.01 0.00 -1.03 0.00 0.00 54.13 54.16 3mg9 s LEU 63 Cb -0.13 -3.07 0.02 0.00 0.03 0.00 0.00 46.19 43.04 3mg9 s LEU 63 CO -0.07 -0.34 -0.08 -0.69 0.23 0.00 0.00 176.35 175.39 3mg9 s VAL 64 N 2.05 0.95 -0.10 -1.59 1.01 -0.06 -4.17 120.40 118.48 3mg9 s VAL 64 Ca 0.34 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 61.95 3mg9 s VAL 64 Cb -0.16 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 3mg9 s VAL 64 CO 0.11 0.34 0.17 -0.75 0.00 0.00 0.00 175.10 174.97 3mg9 s LYS 65 N 1.27 3.48 0.02 2.72 2.20 -0.23 -0.54 119.74 128.66 3mg9 s LYS 65 Ca -0.04 -0.10 -0.28 0.00 -0.36 0.00 0.00 55.97 55.19 3mg9 s LYS 65 Cb -0.14 -3.18 0.07 0.00 -1.51 0.00 0.00 37.83 33.07 3mg9 s LYS 65 CO -0.03 0.76 0.64 -0.08 -0.36 0.00 0.00 175.35 176.28 3mg9 s THR 66 N -1.06 0.00 -0.49 3.43 -1.32 -0.91 -1.43 115.64 113.86 3mg9 s THR 66 Ca 0.17 -0.03 0.14 0.00 -1.21 0.00 0.00 61.69 60.76 3mg9 s THR 66 Cb -0.12 -0.99 -0.17 0.00 -1.51 0.00 0.00 72.50 69.70 3mg9 s THR 66 CO 0.06 -0.02 0.52 1.41 -2.21 0.00 0.00 174.62 174.39 3mg9 n HIS 67 N 0.49 0.00 -1.98 9.09 8.25 -1.26 -2.60 115.22 127.21 3mg9 n HIS 67 Ca -0.18 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 56.88 3mg9 n HIS 67 Cb 0.60 -0.09 -0.00 0.00 1.12 0.00 0.00 29.99 31.61 3mg9 n HIS 67 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3mg9 s LEU 68 N -3.05 4.24 0.47 2.41 1.43 -1.26 -4.67 118.68 118.25 3mg9 s LEU 68 Ca 0.02 2.76 -0.23 0.00 -1.03 0.00 0.00 54.13 55.65 3mg9 s LEU 68 Cb 0.10 -3.84 -0.09 0.00 0.03 0.00 0.00 46.19 42.39 3mg9 s LEU 68 CO 0.59 -0.87 1.05 0.29 0.23 0.00 0.00 176.35 177.64 3mg9 n LYS 69 N 0.21 1.34 0.20 1.70 5.02 -0.23 -4.88 118.16 121.51 3mg9 n LYS 69 Ca 0.03 0.49 0.14 0.00 -2.02 0.00 0.00 58.31 56.95 3mg9 n LYS 69 Cb 0.42 -2.14 0.64 0.00 -0.02 0.00 0.00 35.03 33.93 3mg9 n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3mg9 h ALA 70 N 1.36 1.00 -0.62 7.82 0.00 -1.85 -3.03 119.26 123.94 3mg9 h ALA 70 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3mg9 h ALA 70 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3mg9 h ALA 70 CO 0.56 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.41 3mg9 n ASP 71 N -2.53 4.16 -4.77 0.00 5.68 -1.26 -4.55 116.55 113.28 3mg9 n ASP 71 Ca 0.00 -2.25 -0.37 0.00 -0.50 0.00 0.00 54.79 51.68 3mg9 n ASP 71 Cb 0.19 -0.49 -0.01 0.00 -1.14 0.00 0.00 41.12 39.67 3mg9 n ASP 71 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 3mg9 s VAL 72 N -1.46 3.08 0.31 2.12 -7.23 -1.15 -4.89 120.40 111.18 3mg9 s VAL 72 Ca 0.46 0.78 0.08 0.00 -1.81 0.00 0.00 61.98 61.49 3mg9 s VAL 72 Cb 0.27 -3.38 0.31 0.00 0.56 0.00 0.00 36.38 34.14 3mg9 s VAL 72 CO 0.26 -0.04 1.67 -0.65 -0.31 0.00 0.00 175.10 176.03 3mg9 h PRO 73 N 1.87 0.31 -0.74 4.82 0.11 -1.93 -0.40 132.00 136.04 3mg9 h PRO 73 Ca -0.50 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.65 3mg9 h PRO 73 Cb 1.25 -0.07 -0.06 0.00 0.11 0.00 0.00 31.00 32.24 3mg9 h PRO 73 CO 0.59 0.20 0.43 0.28 -0.21 0.00 0.00 178.00 179.30 3mg9 h VAL 74 N 0.32 1.01 0.00 3.15 2.07 -1.96 -1.96 116.25 118.87 3mg9 h VAL 74 Ca 0.63 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.84 3mg9 h VAL 74 Cb 1.32 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3mg9 h VAL 74 CO -0.60 0.15 -0.17 -0.07 0.02 0.00 0.00 177.57 176.89 3mg9 h LEU 75 N 0.80 0.00 0.00 2.57 3.38 -1.34 -2.51 115.31 118.20 3mg9 h LEU 75 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 3mg9 h LEU 75 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3mg9 h LEU 75 CO -0.17 0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3mg9 n GLY 76 N -0.26 -0.69 0.00 0.83 0.00 -0.74 -1.77 105.19 102.57 3mg9 n GLY 76 Ca -0.01 -0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.09 3mg9 n GLY 76 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mg9 n LEU 77 N -1.29 0.10 -0.40 0.99 4.77 -0.95 -3.94 117.00 116.29 3mg9 n LEU 77 Ca 0.06 0.39 0.09 0.00 -0.03 0.00 0.00 56.01 56.52 3mg9 n LEU 77 Cb 0.10 -0.44 0.19 0.00 -2.33 0.00 0.00 43.42 40.93 3mg9 n LEU 77 CO 0.09 0.02 0.62 -1.22 -1.33 0.00 0.00 177.39 175.58 3mg9 n TYR 78 N -1.48 0.36 -0.23 -1.77 4.01 -0.73 -4.72 117.16 112.60 3mg9 n TYR 78 Ca 0.07 -0.97 0.00 0.00 -0.16 0.00 0.00 57.90 56.84 3mg9 n TYR 78 Cb 0.33 -0.22 0.12 0.00 -0.31 0.00 0.00 39.34 39.27 3mg9 n TYR 78 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3mg9 h GLY 79 N 0.69 1.00 1.32 2.72 0.00 -1.72 -2.00 103.07 105.09 3mg9 h GLY 79 Ca 0.00 -0.21 -0.27 0.00 0.00 0.00 0.00 47.33 46.85 3mg9 h GLY 79 CO 0.09 0.07 -1.47 0.83 0.00 0.00 0.00 176.54 176.06 3mg9 h GLU 80 N 0.59 0.05 0.00 4.80 3.07 -1.86 -3.35 114.58 117.88 3mg9 h GLU 80 Ca 0.33 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 59.10 3mg9 h GLU 80 Cb 0.32 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.26 3mg9 h GLU 80 CO -0.25 0.78 -0.06 0.00 -1.40 0.00 0.00 179.01 178.09 3mg9 n ALA 81 N -2.53 2.38 -2.70 3.43 0.00 -1.11 -4.83 120.51 115.15 3mg9 n ALA 81 Ca -0.12 -0.07 -0.42 0.00 0.00 0.00 0.00 53.44 52.83 3mg9 n ALA 81 Cb 1.02 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.99 3mg9 n ALA 81 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3mg9 s THR 82 N -3.07 4.88 -0.20 0.00 2.01 -0.77 -0.59 115.64 117.90 3mg9 s THR 82 Ca 0.11 1.87 0.03 0.00 0.31 0.00 0.00 61.69 64.01 3mg9 s THR 82 Cb 0.14 -4.24 -0.14 0.00 0.01 0.00 0.00 72.50 68.28 3mg9 s THR 82 CO 0.59 0.11 -0.16 0.00 -0.69 0.00 0.00 174.62 174.47 3mg9 n ALA 83 N 4.41 1.56 -2.88 7.40 0.00 0.16 -3.81 120.51 127.35 3mg9 n ALA 83 Ca 0.05 -0.90 -0.12 0.00 0.00 0.00 0.00 53.44 52.47 3mg9 n ALA 83 Cb 0.50 0.01 -0.12 0.00 0.00 0.00 0.00 19.45 19.84 3mg9 n ALA 83 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3mg9 s LYS 84 N -2.41 0.34 -0.14 0.00 -0.14 -0.67 -1.69 119.74 115.02 3mg9 s LYS 84 Ca -0.26 -0.45 0.00 0.00 -1.36 0.00 0.00 55.97 53.90 3mg9 s LYS 84 Cb 0.07 -0.14 0.02 0.00 -1.68 0.00 0.00 37.83 36.10 3mg9 s LYS 84 CO 0.49 0.02 -0.13 0.08 -0.76 0.00 0.00 175.35 175.05 3mg9 s VAL 85 N -0.87 1.48 -0.25 3.17 1.01 0.80 -1.62 120.40 124.11 3mg9 s VAL 85 Ca -0.07 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 3mg9 s VAL 85 Cb -0.06 -1.39 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 3mg9 s VAL 85 CO -0.00 0.44 0.04 -0.22 0.00 0.00 0.00 175.10 175.36 3mg9 s LEU 86 N 1.45 3.35 -0.19 3.92 2.96 -0.41 -0.32 118.68 129.44 3mg9 s LEU 86 Ca 0.03 -0.32 -0.01 0.00 -0.22 0.00 0.00 54.13 53.61 3mg9 s LEU 86 Cb -0.13 -1.87 -0.00 0.00 0.50 0.00 0.00 46.19 44.69 3mg9 s LEU 86 CO -0.09 -0.05 -0.11 -0.47 -1.32 0.00 0.00 176.35 174.30 3mg9 s TYR 87 N 1.57 2.86 -0.17 5.38 5.04 0.37 -1.38 117.35 131.02 3mg9 s TYR 87 Ca 0.06 -1.10 -0.11 0.00 -2.44 0.00 0.00 57.07 53.48 3mg9 s TYR 87 Cb -0.15 -1.99 -0.05 0.00 0.35 0.00 0.00 41.96 40.12 3mg9 s TYR 87 CO 0.02 -0.56 0.18 -0.51 -1.34 0.00 0.00 175.55 173.33 3mg9 s LEU 88 N 1.17 4.25 0.22 6.97 2.01 -0.31 -0.82 118.68 132.17 3mg9 s LEU 88 Ca 0.02 0.35 0.09 0.00 0.01 0.00 0.00 54.13 54.60 3mg9 s LEU 88 Cb -0.14 -2.17 -0.04 0.00 0.01 0.00 0.00 46.19 43.85 3mg9 s LEU 88 CO -0.04 0.20 -0.05 0.68 1.01 0.00 0.00 176.35 178.15 3mg9 s VAL 89 N 0.13 3.33 -0.01 -1.59 -7.23 -0.42 -4.29 120.40 110.32 3mg9 s VAL 89 Ca 0.12 -1.76 -0.10 0.00 -1.81 0.00 0.00 61.98 58.43 3mg9 s VAL 89 Cb -0.12 -2.71 0.01 0.00 0.56 0.00 0.00 36.38 34.12 3mg9 s VAL 89 CO 0.01 -0.22 0.21 -0.60 -0.31 0.00 0.00 175.10 174.18 3mg9 s ARG 90 N -3.20 0.52 -0.15 4.82 3.52 -1.26 -0.29 118.95 122.92 3mg9 s ARG 90 Ca 0.28 -0.24 -0.38 0.00 -0.13 0.00 0.00 55.73 55.26 3mg9 s ARG 90 Cb -0.08 0.22 -0.15 0.00 -1.56 0.00 0.00 34.95 33.39 3mg9 s ARG 90 CO 0.17 -0.13 1.69 -1.71 -0.81 0.00 0.00 175.30 174.52 3mg9 n ASN 91 N 1.59 2.54 0.20 -2.12 2.85 -1.26 -4.81 115.26 114.24 3mg9 n ASN 91 Ca -0.21 1.06 0.06 0.00 -0.11 0.00 0.00 54.58 55.38 3mg9 n ASN 91 Cb 0.56 -1.22 0.54 0.00 1.24 0.00 0.00 39.78 40.90 3mg9 n ASN 91 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3mg9 h PRO 92 N 7.11 0.11 -0.59 1.20 0.11 -1.98 -0.83 132.00 137.13 3mg9 h PRO 92 Ca -0.47 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.72 3mg9 h PRO 92 Cb 1.31 -0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.32 3mg9 h PRO 92 CO 0.92 0.15 0.20 0.00 -0.21 0.00 0.00 178.00 179.05 3mg9 h ARG 93 N 0.11 0.35 0.18 1.05 3.08 -1.90 0.14 114.38 117.40 3mg9 h ARG 93 Ca 0.03 -0.02 -0.31 0.00 0.07 0.00 0.00 59.98 59.75 3mg9 h ARG 93 Cb 0.12 -0.08 0.03 0.00 0.08 0.00 0.00 29.97 30.12 3mg9 h ARG 93 CO 0.00 0.23 -1.34 -0.44 -1.07 0.00 0.00 179.97 177.36 3mg9 h ASP 94 N 0.36 0.76 -0.61 7.04 3.32 -1.53 -2.26 116.42 123.51 3mg9 h ASP 94 Ca 0.30 -0.77 0.08 0.00 0.02 0.00 0.00 57.03 56.65 3mg9 h ASP 94 Cb 0.38 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 39.63 3mg9 h ASP 94 CO -0.32 1.59 0.28 0.24 -1.72 0.00 0.00 179.24 179.31 3mg9 h MET 95 N 0.18 0.49 -0.10 3.56 2.86 -1.15 -1.25 114.93 119.52 3mg9 h MET 95 Ca -0.20 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 3mg9 h MET 95 Cb 2.03 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 33.57 3mg9 h MET 95 CO 0.25 0.32 0.07 1.25 1.06 0.00 0.00 176.91 179.86 3mg9 h LEU 96 N 0.50 0.12 -0.66 1.22 6.46 -0.45 0.16 115.31 122.66 3mg9 h LEU 96 Ca 0.29 -0.02 -0.14 0.00 -0.12 0.00 0.00 57.88 57.89 3mg9 h LEU 96 Cb 0.28 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.17 3mg9 h LEU 96 CO -0.24 0.11 -0.58 -0.07 -0.62 0.00 0.00 178.44 177.04 3mg9 h LEU 97 N 0.12 0.32 0.07 2.25 3.38 -1.30 -2.52 115.31 117.64 3mg9 h LEU 97 Ca 0.04 -0.18 -0.28 0.00 0.09 0.00 0.00 57.88 57.55 3mg9 h LEU 97 Cb 0.01 -0.09 0.03 0.00 0.09 0.00 0.00 40.66 40.69 3mg9 h LEU 97 CO -0.01 0.83 -1.13 0.77 0.09 0.00 0.00 178.44 178.99 3mg9 h SER 98 N 0.22 0.87 0.84 -0.43 4.64 -0.99 -3.24 113.55 115.46 3mg9 h SER 98 Ca -0.00 -0.79 -0.02 0.00 -0.47 0.00 0.00 61.79 60.50 3mg9 h SER 98 Cb 1.07 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 62.89 3mg9 h SER 98 CO 0.09 1.56 -0.11 0.77 -0.87 0.00 0.00 176.83 178.27 3mg9 h SER 99 N 0.29 0.00 -0.62 4.97 4.64 -0.68 -2.90 113.55 119.24 3mg9 h SER 99 Ca -0.16 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.26 3mg9 h SER 99 Cb 1.80 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.82 3mg9 h SER 99 CO 0.22 0.11 0.22 -0.03 -0.87 0.00 0.00 176.83 176.48 3mg9 h MET 100 N 0.00 0.38 -0.02 4.77 -1.53 -1.47 -1.42 114.93 115.64 3mg9 h MET 100 Ca -0.00 -0.02 0.01 0.00 -3.44 0.00 0.00 59.70 56.24 3mg9 h MET 100 Cb 0.56 -0.09 -0.00 0.00 -0.55 0.00 0.00 31.60 31.53 3mg9 h MET 100 CO 0.01 0.25 0.02 -0.09 0.14 0.00 0.00 176.91 177.25 3mg9 h ARG 101 N 0.39 0.00 0.00 0.39 2.43 -1.57 -0.98 114.38 115.04 3mg9 h ARG 101 Ca 0.32 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 3mg9 h ARG 101 Cb 0.42 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3mg9 h ARG 101 CO -0.33 0.00 0.00 -1.33 -1.51 0.00 0.00 179.97 176.80 3mg9 n MET 102 N -4.03 0.08 -0.71 0.20 2.81 -0.54 -1.65 117.12 113.28 3mg9 n MET 102 Ca -0.02 0.16 0.08 0.00 -1.81 0.00 0.00 57.70 56.10 3mg9 n MET 102 Cb 0.11 -1.50 0.35 0.00 -0.71 0.00 0.00 33.22 31.47 3mg9 n MET 102 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3mg9 n ALA 103 N -1.44 3.51 -3.19 3.04 0.00 -0.38 -4.94 120.51 117.12 3mg9 n ALA 103 Ca 0.06 -2.09 -0.23 0.00 0.00 0.00 0.00 53.44 51.18 3mg9 n ALA 103 Cb 0.20 -0.95 0.05 0.00 0.00 0.00 0.00 19.45 18.75 3mg9 n ALA 103 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3mg9 n SER 104 N 0.14 -6.22 -4.25 0.00 7.64 -0.66 -4.98 113.62 105.29 3mg9 n SER 104 Ca 0.25 -0.36 -0.37 0.00 1.01 0.00 0.00 58.87 59.40 3mg9 n SER 104 Cb 1.07 -4.97 -0.13 0.00 -1.01 0.00 0.00 64.21 59.17 3mg9 n SER 104 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3mg9 s ILE 105 N -3.22 3.55 0.49 0.44 1.01 -1.21 -5.05 121.20 117.21 3mg9 s ILE 105 Ca 0.39 -1.12 -0.20 0.00 0.00 0.00 0.00 60.65 59.72 3mg9 s ILE 105 Cb -0.17 -2.97 -0.08 0.00 0.01 0.00 0.00 42.46 39.24 3mg9 s ILE 105 CO 0.48 -0.09 1.04 -0.55 0.00 0.00 0.00 174.94 175.81 3mg9 s SER 106 N 1.37 6.33 0.39 3.58 0.15 -1.26 -3.59 113.70 120.66 3mg9 s SER 106 Ca -0.02 1.91 0.06 0.00 0.70 0.00 0.00 55.95 58.60 3mg9 s SER 106 Cb -0.19 -2.56 0.79 0.00 -1.71 0.00 0.00 66.02 62.35 3mg9 s SER 106 CO 0.01 -0.79 2.03 -0.09 1.20 0.00 0.00 173.24 175.60 3mg9 h ARG 107 N 1.49 0.64 -0.58 5.44 2.43 -1.98 -0.92 114.38 120.90 3mg9 h ARG 107 Ca -0.49 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 3mg9 h ARG 107 Cb 1.22 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 3mg9 h ARG 107 CO 0.59 0.43 0.00 -0.40 -1.51 0.00 0.00 179.97 179.08 3mg9 n ASP 108 N -4.46 2.83 -4.36 -3.80 5.68 -1.26 -4.54 116.55 106.64 3mg9 n ASP 108 Ca 0.05 -2.24 -0.45 0.00 -0.50 0.00 0.00 54.79 51.64 3mg9 n ASP 108 Cb 0.08 -0.43 -0.01 0.00 -1.14 0.00 0.00 41.12 39.63 3mg9 n ASP 108 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3mg9 s ASP 109 N -0.72 7.11 0.14 -1.12 3.68 -0.35 -4.92 116.67 120.49 3mg9 s ASP 109 Ca 0.28 -3.20 -0.11 0.00 2.13 0.00 0.00 52.55 51.65 3mg9 s ASP 109 Cb 0.18 -2.24 -0.05 0.00 -1.45 0.00 0.00 42.92 39.36 3mg9 s ASP 109 CO 0.14 -0.46 1.46 0.58 0.13 0.00 0.00 175.17 177.02 3mg9 h VAL 110 N 4.20 1.27 -0.11 1.11 2.07 -1.84 -0.22 116.25 122.73 3mg9 h VAL 110 Ca 0.17 -1.58 0.02 0.00 0.82 0.00 0.00 66.70 66.13 3mg9 h VAL 110 Cb 0.93 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 3mg9 h VAL 110 CO 0.97 0.53 0.00 -0.33 0.02 0.00 0.00 177.57 178.76 3mg9 h GLU 111 N 0.75 0.04 -0.51 1.57 3.07 -1.96 0.23 114.58 117.76 3mg9 h GLU 111 Ca 0.06 -0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.79 3mg9 h GLU 111 Cb 1.01 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.89 3mg9 h GLU 111 CO 0.10 0.02 -0.14 0.87 -1.40 0.00 0.00 179.01 178.46 3mg9 h LYS 112 N 0.04 0.99 -0.69 2.33 1.57 -1.94 -2.81 116.57 116.07 3mg9 h LYS 112 Ca 0.05 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.44 3mg9 h LYS 112 Cb 0.06 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 3mg9 h LYS 112 CO -0.08 1.06 0.40 0.77 -0.57 0.00 0.00 179.45 181.03 3mg9 h SER 113 N 0.87 0.84 -0.61 0.86 0.02 -0.78 -1.98 113.55 112.78 3mg9 h SER 113 Ca 0.13 -0.07 0.05 0.00 -0.84 0.00 0.00 61.79 61.06 3mg9 h SER 113 Cb 0.71 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.98 3mg9 h SER 113 CO 0.05 0.67 0.33 0.03 -1.14 0.00 0.00 176.83 176.77 3mg9 h ARG 114 N 0.94 0.60 -0.50 3.45 3.08 -0.44 -0.56 114.38 120.96 3mg9 h ARG 114 Ca 0.24 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.19 3mg9 h ARG 114 Cb -0.01 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 3mg9 h ARG 114 CO -0.04 0.40 0.05 -0.44 -1.07 0.00 0.00 179.97 178.86 3mg9 h ASP 115 N 0.62 0.82 -0.15 7.04 3.45 -1.25 -1.50 116.42 125.44 3mg9 h ASP 115 Ca 0.27 -0.28 -0.00 0.00 0.43 0.00 0.00 57.03 57.45 3mg9 h ASP 115 Cb 0.16 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.71 3mg9 h ASP 115 CO -0.17 0.89 0.09 0.15 -1.57 0.00 0.00 179.24 178.63 3mg9 h PHE 116 N 0.71 0.20 -0.57 4.55 3.57 -0.97 -2.15 116.94 122.28 3mg9 h PHE 116 Ca 0.15 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.57 3mg9 h PHE 116 Cb 0.44 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 3mg9 h PHE 116 CO 0.03 0.17 0.04 0.00 -2.23 0.00 0.00 178.31 176.33 3mg9 h ALA 117 N 1.01 1.01 -0.61 2.41 0.00 -1.06 -1.70 119.26 120.32 3mg9 h ALA 117 Ca 0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3mg9 h ALA 117 Cb 0.03 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3mg9 h ALA 117 CO -0.01 0.62 0.28 -0.09 0.00 0.00 0.00 179.25 180.05 3mg9 h ARG 118 N 0.88 0.88 -0.28 0.00 1.12 -1.11 0.46 114.38 116.33 3mg9 h ARG 118 Ca 0.17 -0.13 -0.10 0.00 -1.11 0.00 0.00 59.98 58.80 3mg9 h ARG 118 Cb 0.46 -0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 30.25 3mg9 h ARG 118 CO 0.02 0.72 -0.25 0.87 -3.11 0.00 0.00 179.97 178.21 3mg9 h LYS 119 N 0.83 0.55 -0.19 0.20 1.57 -1.21 -1.25 116.57 117.07 3mg9 h LYS 119 Ca 0.21 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3mg9 h LYS 119 Cb 0.13 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 3mg9 h LYS 119 CO -0.02 0.76 -0.03 0.35 -0.57 0.00 0.00 179.45 179.93 3mg9 h PHE 120 N 0.48 0.39 -0.60 -1.35 3.57 -0.93 -1.64 116.94 116.86 3mg9 h PHE 120 Ca 0.07 -0.08 -0.08 0.00 3.53 0.00 0.00 57.97 61.40 3mg9 h PHE 120 Cb 0.69 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 3mg9 h PHE 120 CO 0.03 0.59 0.05 0.82 -2.23 0.00 0.00 178.31 177.57 3mg9 h ILE 121 N 0.08 1.26 -0.12 1.41 2.04 -0.84 0.66 117.51 122.01 3mg9 h ILE 121 Ca 0.05 -1.08 -0.11 0.00 1.00 0.00 0.00 64.86 64.72 3mg9 h ILE 121 Cb 0.46 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 3mg9 h ILE 121 CO 0.02 0.39 -0.41 0.00 0.00 0.00 0.00 178.15 178.15 3mg9 h ALA 122 N 1.00 1.09 -0.03 1.87 0.00 -1.19 -3.11 119.26 118.90 3mg9 h ALA 122 Ca 0.18 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3mg9 h ALA 122 Cb 0.49 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3mg9 h ALA 122 CO 0.02 0.59 -0.06 0.09 0.00 0.00 0.00 179.25 179.89 3mg9 n ASN 123 N -4.03 2.77 -3.40 0.00 3.02 -0.62 -4.97 115.26 108.03 3mg9 n ASN 123 Ca -0.01 -1.90 -0.24 0.00 -0.03 0.00 0.00 54.58 52.39 3mg9 n ASN 123 Cb 0.48 0.06 0.05 0.00 -0.61 0.00 0.00 39.78 39.76 3mg9 n ASN 123 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3mg9 n GLU 124 N 1.09 -6.15 -0.70 3.52 1.02 0.04 -4.69 120.64 114.76 3mg9 n GLU 124 Ca 0.14 0.81 0.00 0.00 -0.02 0.00 0.00 57.16 58.08 3mg9 n GLU 124 Cb 0.57 -5.75 0.00 0.00 -0.02 0.00 0.00 31.44 26.24 3mg9 n GLU 124 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mg9 n GLY 125 N -1.73 0.41 0.78 0.62 0.00 -0.11 -1.01 105.19 104.15 3mg9 n GLY 125 Ca -0.04 -1.48 0.08 0.00 0.00 0.00 0.00 46.02 44.58 3mg9 n GLY 125 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mg9 n LEU 126 N 0.00 2.85 0.00 0.99 4.77 -1.26 -4.32 117.00 120.03 3mg9 n LEU 126 Ca 0.00 -1.54 0.00 0.00 -0.03 0.00 0.00 56.01 54.44 3mg9 n LEU 126 Cb 0.00 -0.18 0.01 0.00 -2.33 0.00 0.00 43.42 40.92 3mg9 n LEU 126 CO 0.00 0.64 0.32 0.61 -1.33 0.00 0.00 177.39 177.63 3mg9 n GLY 127 N 0.92 -0.64 0.12 -0.72 0.00 -1.23 -2.72 105.19 100.91 3mg9 n GLY 127 Ca 0.13 -0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 3mg9 n GLY 127 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3mg9 n TRP 128 N -0.50 0.51 0.00 1.61 4.27 -1.26 -3.19 117.44 118.88 3mg9 n TRP 128 Ca 0.00 0.22 0.00 0.00 -3.89 0.00 0.00 57.50 53.83 3mg9 n TRP 128 Cb 0.00 -1.01 0.00 0.00 -1.36 0.00 0.00 31.31 28.94 3mg9 n TRP 128 CO 0.00 0.00 0.00 -1.71 -2.29 0.00 0.00 177.69 173.69 3mg9 n ASN 129 N -4.36 0.00 0.00 -0.67 5.15 -1.10 -4.80 115.26 109.47 3mg9 n ASN 129 Ca -0.40 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.58 3mg9 n ASN 129 Cb 0.75 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.00 3mg9 n ASN 129 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3mg9 n GLY 135 N 0.00 0.00 7.00 8.20 0.00 -1.26 -4.90 105.19 114.23 3mg9 n GLY 135 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3mg9 n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mg9 n GLY 136 N -0.18 1.88 0.13 -0.02 0.00 -1.26 -3.02 105.19 102.72 3mg9 n GLY 136 Ca 0.00 -0.52 0.11 0.00 0.00 0.00 0.00 46.02 45.61 3mg9 n GLY 136 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3mg9 n VAL 137 N 0.00 0.92 0.21 1.61 0.24 -1.19 -1.91 118.33 118.21 3mg9 n VAL 137 Ca 0.00 0.38 0.10 0.00 -2.04 0.00 0.00 64.34 62.78 3mg9 n VAL 137 Cb 0.00 -1.33 0.33 0.00 -1.47 0.00 0.00 33.84 31.38 3mg9 n VAL 137 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3mg9 h GLY 138 N 1.57 0.00 1.54 7.63 0.00 -1.86 -3.00 103.07 108.94 3mg9 h GLY 138 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 3mg9 h GLY 138 CO 0.00 0.00 -0.91 1.41 0.00 0.00 0.00 176.54 177.04 3mg9 h LEU 139 N 0.00 0.54 -0.23 3.11 4.07 -1.54 -0.60 115.31 120.67 3mg9 h LEU 139 Ca -0.00 -0.42 0.27 0.00 0.08 0.00 0.00 57.88 57.81 3mg9 h LEU 139 Cb 0.91 -0.16 -0.08 0.00 1.08 0.00 0.00 40.66 42.41 3mg9 h LEU 139 CO 0.03 1.21 -0.45 0.61 -1.08 0.00 0.00 178.44 178.76 3mg9 n GLY 140 N 0.90 -1.95 3.58 0.83 0.00 -1.14 -4.14 105.19 103.26 3mg9 n GLY 140 Ca -0.06 -1.26 -0.29 0.00 0.00 0.00 0.00 46.02 44.41 3mg9 n GLY 140 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mg9 s SER 141 N -5.92 1.75 0.11 1.61 1.04 -1.26 -3.53 113.70 107.50 3mg9 s SER 141 Ca 0.00 1.43 -0.22 0.00 0.48 0.00 0.00 55.95 57.64 3mg9 s SER 141 Cb 0.00 -2.15 -0.08 0.00 0.10 0.00 0.00 66.02 63.89 3mg9 s SER 141 CO 0.00 -3.71 1.71 -0.25 0.98 0.00 0.00 173.24 171.97 3mg9 h TRP 142 N -2.29 -0.11 -0.93 5.02 7.01 -1.37 0.57 115.95 123.84 3mg9 h TRP 142 Ca -0.58 0.01 0.03 0.00 2.11 0.00 0.00 58.89 60.46 3mg9 h TRP 142 Cb 1.33 0.06 -0.05 0.00 -2.10 0.00 0.00 29.16 28.40 3mg9 h TRP 142 CO 0.29 -0.08 0.61 -1.35 -2.79 0.00 0.00 178.44 175.12 3mg9 h PRO 143 N -0.05 1.16 -0.43 2.65 0.11 -1.89 0.06 132.00 133.61 3mg9 h PRO 143 Ca 0.05 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 66.00 3mg9 h PRO 143 Cb 0.12 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 30.96 3mg9 h PRO 143 CO -0.11 0.77 -0.10 0.93 -0.21 0.00 0.00 178.00 179.27 3mg9 h GLU 144 N 1.19 0.83 -0.19 1.05 5.08 -1.86 -1.11 114.58 119.57 3mg9 h GLU 144 Ca 0.37 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3mg9 h GLU 144 Cb -0.03 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3mg9 h GLU 144 CO -0.11 0.94 0.07 -0.97 -1.00 0.00 0.00 179.01 177.94 3mg9 h ASN 145 N 0.65 0.27 -0.14 1.42 -0.73 -0.61 -0.91 115.58 115.53 3mg9 h ASN 145 Ca 0.11 -0.18 0.03 0.00 1.87 0.00 0.00 56.30 58.13 3mg9 h ASN 145 Cb 0.64 -0.07 -0.03 0.00 0.27 0.00 0.00 38.32 39.13 3mg9 h ASN 145 CO 0.04 0.38 -0.04 0.58 -0.37 0.00 0.00 177.43 178.02 3mg9 h VAL 146 N 0.14 0.84 -0.65 2.57 2.07 -0.98 -2.76 116.25 117.49 3mg9 h VAL 146 Ca 0.06 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.56 3mg9 h VAL 146 Cb 0.20 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 3mg9 h VAL 146 CO -0.00 0.00 0.30 -0.09 0.02 0.00 0.00 177.57 177.80 3mg9 h ARG 147 N -0.01 0.94 -0.96 1.57 2.43 -1.12 -1.42 114.38 115.81 3mg9 h ARG 147 Ca 0.07 -0.14 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3mg9 h ARG 147 Cb 0.11 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 29.45 3mg9 h ARG 147 CO -0.15 0.75 0.64 0.66 -1.51 0.00 0.00 179.97 180.36 3mg9 h SER 148 N 0.90 1.10 1.08 -3.80 4.64 -1.00 -0.35 113.55 116.11 3mg9 h SER 148 Ca 0.22 -0.03 -0.12 0.00 -0.47 0.00 0.00 61.79 61.39 3mg9 h SER 148 Cb 0.13 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 3mg9 h SER 148 CO -0.03 0.79 -0.98 -0.50 -0.87 0.00 0.00 176.83 175.25 3mg9 h TRP 149 N 1.29 0.00 -0.07 4.77 4.06 -1.27 -3.39 115.95 121.35 3mg9 h TRP 149 Ca 0.35 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.30 3mg9 h TRP 149 Cb -0.14 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.02 3mg9 h TRP 149 CO -0.00 0.47 0.00 0.25 -3.56 0.00 0.00 178.44 175.60 3mg9 n THR 150 N -3.00 0.19 -4.40 1.49 -2.24 -0.55 -4.84 114.28 100.93 3mg9 n THR 150 Ca -0.04 -0.60 -0.20 0.00 -2.27 0.00 0.00 64.05 60.94 3mg9 n THR 150 Cb 0.76 1.06 -0.15 0.00 -2.10 0.00 0.00 70.33 69.89 3mg9 n THR 150 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3mg9 s GLU 151 N -0.81 0.93 -1.45 -0.78 2.12 -0.16 -4.76 118.70 113.78 3mg9 s GLU 151 Ca 0.12 -0.32 0.00 0.00 0.36 0.00 0.00 54.97 55.14 3mg9 s GLU 151 Cb 0.08 -0.87 0.00 0.00 0.26 0.00 0.00 34.13 33.60 3mg9 s GLU 151 CO 0.12 0.14 0.00 0.43 -0.54 0.00 0.00 175.26 175.41 3mg9 n SER 152 N 3.18 -4.89 0.07 -1.70 7.64 -1.26 -4.70 113.62 111.96 3mg9 n SER 152 Ca -0.17 0.04 -0.03 0.00 1.01 0.00 0.00 58.87 59.73 3mg9 n SER 152 Cb 0.55 -3.98 0.21 0.00 -1.01 0.00 0.00 64.21 59.99 3mg9 n SER 152 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3mg9 h SER 153 N 0.00 0.32 -0.13 6.43 0.02 -1.88 -0.78 113.55 117.52 3mg9 h SER 153 Ca -0.38 -0.13 0.04 0.00 -0.84 0.00 0.00 61.79 60.48 3mg9 h SER 153 Cb 1.26 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 3mg9 h SER 153 CO 0.47 0.68 0.15 0.77 -1.14 0.00 0.00 176.83 177.75 3mg9 h SER 154 N 0.26 0.00 0.02 3.07 4.64 -1.90 0.25 113.55 119.89 3mg9 h SER 154 Ca 0.03 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.98 3mg9 h SER 154 Cb 0.79 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.83 3mg9 h SER 154 CO 0.06 0.00 -2.10 0.47 -0.87 0.00 0.00 176.83 174.39 3mg9 n ASP 155 N -3.82 1.97 -0.07 4.97 8.00 -0.91 -3.54 116.55 123.14 3mg9 n ASP 155 Ca 0.00 0.24 -0.13 0.00 0.71 0.00 0.00 54.79 55.61 3mg9 n ASP 155 Cb 0.26 -0.78 -0.06 0.00 -0.02 0.00 0.00 41.12 40.52 3mg9 n ASP 155 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3mg9 h ARG 156 N -0.60 0.51 -2.31 -1.24 2.43 -0.98 -3.35 114.38 108.84 3mg9 h ARG 156 Ca -0.54 -0.26 -0.59 0.00 -0.81 0.00 0.00 59.98 57.78 3mg9 h ARG 156 Cb 1.67 0.01 -0.41 0.00 -0.42 0.00 0.00 29.97 30.82 3mg9 h ARG 156 CO -0.21 0.84 -0.74 1.19 -1.51 0.00 0.00 179.97 179.54 3mg9 n PHE 157 N -4.43 2.31 -0.27 2.20 3.72 0.85 -4.32 117.46 117.52 3mg9 n PHE 157 Ca -0.05 -3.98 0.26 0.00 -0.05 0.00 0.00 57.45 53.63 3mg9 n PHE 157 Cb 0.40 -0.46 0.62 0.00 -0.94 0.00 0.00 39.48 39.10 3mg9 n PHE 157 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3mg9 h PRO 158 N 4.44 0.20 -0.05 -1.08 0.13 -1.60 -1.10 132.00 132.95 3mg9 h PRO 158 Ca 0.17 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3mg9 h PRO 158 Cb 0.75 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.83 3mg9 h PRO 158 CO 0.70 0.13 0.00 0.09 -0.23 0.00 0.00 178.00 178.69 3mg9 n ASN 159 N -4.41 1.68 -4.81 1.44 3.02 -1.26 -4.93 115.26 105.98 3mg9 n ASN 159 Ca 0.22 -1.58 -0.26 0.00 -0.03 0.00 0.00 54.58 52.93 3mg9 n ASN 159 Cb 0.94 -0.02 -0.05 0.00 -0.61 0.00 0.00 39.78 40.04 3mg9 n ASN 159 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mg9 s ALA 160 N -1.95 3.61 -0.02 5.41 0.00 -0.42 -4.76 121.76 123.63 3mg9 s ALA 160 Ca 0.36 -1.21 -0.02 0.00 0.00 0.00 0.00 51.96 51.09 3mg9 s ALA 160 Cb 0.20 -1.40 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 3mg9 s ALA 160 CO 0.32 0.49 0.12 -0.51 0.00 0.00 0.00 175.76 176.18 3mg9 s ASP 161 N -3.16 5.95 -0.07 0.00 1.01 -0.68 -4.92 116.67 114.79 3mg9 s ASP 161 Ca 0.31 0.24 0.05 0.00 0.71 0.00 0.00 52.55 53.87 3mg9 s ASP 161 Cb -0.10 -1.79 -0.01 0.00 1.01 0.00 0.00 42.92 42.04 3mg9 s ASP 161 CO 0.24 0.29 -0.24 -0.69 0.21 0.00 0.00 175.17 174.97 3mg9 s VAL 162 N -1.21 2.01 -0.05 -1.27 1.01 -1.26 -0.14 120.40 119.49 3mg9 s VAL 162 Ca 0.23 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 61.20 3mg9 s VAL 162 Cb -0.12 -1.72 0.02 0.00 0.00 0.00 0.00 36.38 34.55 3mg9 s VAL 162 CO 0.14 0.56 -0.09 -0.22 0.00 0.00 0.00 175.10 175.48 3mg9 s LEU 163 N 0.03 1.55 -0.13 3.92 2.96 0.56 -4.97 118.68 122.60 3mg9 s LEU 163 Ca -0.09 -0.23 -0.03 0.00 -0.22 0.00 0.00 54.13 53.56 3mg9 s LEU 163 Cb -0.15 -0.67 -0.03 0.00 0.50 0.00 0.00 46.19 45.84 3mg9 s LEU 163 CO 0.05 0.01 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.17 3mg9 s THR 164 N 0.71 4.00 0.02 3.68 2.01 -1.26 -0.48 115.64 124.32 3mg9 s THR 164 Ca -0.13 -0.33 0.03 0.00 0.31 0.00 0.00 61.69 61.56 3mg9 s THR 164 Cb -0.15 -2.73 -0.02 0.00 0.01 0.00 0.00 72.50 69.62 3mg9 s THR 164 CO 0.02 0.52 -0.08 -0.32 -0.69 0.00 0.00 174.62 174.07 3mg9 s MET 165 N 0.01 0.60 0.06 4.92 1.75 -0.00 -4.96 119.30 121.68 3mg9 s MET 165 Ca 0.01 -0.54 -0.29 0.00 -1.25 0.00 0.00 55.69 53.62 3mg9 s MET 165 Cb -0.13 -0.51 -0.05 0.00 2.84 0.00 0.00 34.83 36.98 3mg9 s MET 165 CO 0.02 0.12 0.93 1.03 -0.65 0.00 0.00 175.02 176.48 3mg9 s ARG 166 N -0.90 4.62 0.30 4.11 0.52 -1.26 -1.30 118.95 125.04 3mg9 s ARG 166 Ca -0.02 1.36 0.06 0.00 -0.52 0.00 0.00 55.73 56.61 3mg9 s ARG 166 Cb -0.06 -3.40 0.78 0.00 0.52 0.00 0.00 34.95 32.78 3mg9 s ARG 166 CO 0.00 0.13 1.71 -0.92 0.02 0.00 0.00 175.30 176.24 3mg9 h TYR 167 N 6.03 0.78 -0.16 -0.53 3.20 -0.88 -1.97 116.97 123.45 3mg9 h TYR 167 Ca -0.42 0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.41 3mg9 h TYR 167 Cb 1.21 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 3mg9 h TYR 167 CO 0.66 -0.00 -0.24 0.93 -1.64 0.00 0.00 178.16 177.86 3mg9 h GLU 168 N 0.47 0.28 -0.03 1.82 3.07 -1.93 0.44 114.58 118.71 3mg9 h GLU 168 Ca 0.59 -0.09 -0.18 0.00 -0.50 0.00 0.00 59.36 59.18 3mg9 h GLU 168 Cb 1.11 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.99 3mg9 h GLU 168 CO -0.51 0.52 -0.76 -0.44 -1.40 0.00 0.00 179.01 176.42 3mg9 h ASP 169 N 0.26 0.26 -0.19 1.42 3.32 -1.77 -1.57 116.42 118.15 3mg9 h ASP 169 Ca 0.04 -0.18 -0.21 0.00 0.02 0.00 0.00 57.03 56.70 3mg9 h ASP 169 Cb 0.58 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 40.06 3mg9 h ASP 169 CO 0.04 0.93 -0.70 0.25 -1.72 0.00 0.00 179.24 178.03 3mg9 h LEU 170 N 0.14 0.94 -1.25 1.55 5.85 -0.99 -2.19 115.31 119.36 3mg9 h LEU 170 Ca -0.03 -0.60 -0.03 0.00 0.84 0.00 0.00 57.88 58.06 3mg9 h LEU 170 Cb 1.34 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 3mg9 h LEU 170 CO 0.12 1.39 0.18 0.11 -0.34 0.00 0.00 178.44 179.89 3mg9 h LYS 171 N 0.56 0.69 -0.02 1.25 1.79 -0.91 -2.48 116.57 117.45 3mg9 h LYS 171 Ca -0.03 -0.10 -0.21 0.00 -2.18 0.00 0.00 60.65 58.12 3mg9 h LYS 171 Cb 1.33 -0.12 0.02 0.00 -1.58 0.00 0.00 32.23 31.87 3mg9 h LYS 171 CO 0.15 0.59 -0.83 0.78 -1.08 0.00 0.00 179.45 179.06 3mg9 h GLY 172 N 0.85 0.66 -6.03 3.86 0.00 -1.20 -3.40 103.07 97.80 3mg9 h GLY 172 Ca 0.16 -1.12 -0.55 0.00 0.00 0.00 0.00 47.33 45.82 3mg9 h GLY 172 CO -0.01 0.99 -1.06 1.22 0.00 0.00 0.00 176.54 177.68 3mg9 n ASP 173 N -4.02 -0.07 -0.28 0.19 8.00 -0.83 -4.99 116.55 114.53 3mg9 n ASP 173 Ca -0.10 -2.65 -0.01 0.00 0.71 0.00 0.00 54.79 52.73 3mg9 n ASP 173 Cb 0.78 -0.53 0.11 0.00 -0.02 0.00 0.00 41.12 41.46 3mg9 n ASP 173 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 3mg9 h PRO 174 N 4.31 0.90 -0.05 -0.24 0.11 -1.68 -0.09 132.00 135.27 3mg9 h PRO 174 Ca 0.10 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.15 3mg9 h PRO 174 Cb 0.89 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.80 3mg9 h PRO 174 CO 0.44 0.59 0.03 0.28 -0.21 0.00 0.00 178.00 179.13 3mg9 h VAL 175 N 0.93 1.11 -0.24 3.15 2.07 -1.94 0.94 116.25 122.27 3mg9 h VAL 175 Ca 0.33 -0.32 -0.13 0.00 0.82 0.00 0.00 66.70 67.41 3mg9 h VAL 175 Cb 0.09 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3mg9 h VAL 175 CO -0.14 0.09 -0.35 0.00 0.02 0.00 0.00 177.57 177.18 3mg9 h ALA 176 N 0.90 0.36 -0.01 1.67 0.00 -1.91 -2.99 119.26 117.28 3mg9 h ALA 176 Ca 0.02 -0.43 -0.13 0.00 0.00 0.00 0.00 54.91 54.37 3mg9 h ALA 176 Cb 0.12 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.85 3mg9 h ALA 176 CO -0.00 0.43 -0.49 0.00 0.00 0.00 0.00 179.25 179.18 3mg9 h ARG 177 N 0.37 0.34 -0.15 0.00 2.47 -1.00 -2.91 114.38 113.51 3mg9 h ARG 177 Ca 0.02 -0.36 -0.04 0.00 -1.26 0.00 0.00 59.98 58.34 3mg9 h ARG 177 Cb 0.94 0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 29.35 3mg9 h ARG 177 CO 0.08 1.05 -0.10 0.35 0.56 0.00 0.00 179.97 181.90 3mg9 h PHE 178 N -0.21 0.23 -0.04 3.04 3.57 -0.93 -1.23 116.94 121.37 3mg9 h PHE 178 Ca -0.06 -0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.28 3mg9 h PHE 178 Cb 1.21 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.87 3mg9 h PHE 178 CO 0.15 0.33 -0.62 0.66 -2.23 0.00 0.00 178.31 176.61 3mg9 h SER 179 N 0.22 0.17 -0.60 0.41 4.64 -1.55 -1.09 113.55 115.75 3mg9 h SER 179 Ca 0.05 -0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 61.24 3mg9 h SER 179 Cb 0.32 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.34 3mg9 h SER 179 CO 0.02 0.75 0.27 -0.33 -0.87 0.00 0.00 176.83 176.66 3mg9 h GLU 180 N 0.11 0.88 -0.24 4.77 5.08 -1.22 -1.28 114.58 122.68 3mg9 h GLU 180 Ca -0.01 -0.14 0.03 0.00 -1.00 0.00 0.00 59.36 58.24 3mg9 h GLU 180 Cb 1.11 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 3mg9 h GLU 180 CO 0.09 0.73 0.06 0.82 -1.00 0.00 0.00 179.01 179.71 3mg9 h ILE 181 N 0.83 0.91 -0.26 3.13 2.04 -0.86 0.10 117.51 123.40 3mg9 h ILE 181 Ca 0.20 -0.05 -0.14 0.00 1.00 0.00 0.00 64.86 65.87 3mg9 h ILE 181 Cb 0.15 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 3mg9 h ILE 181 CO -0.02 0.03 -0.38 0.58 0.00 0.00 0.00 178.15 178.36 3mg9 h VAL 182 N 0.16 1.30 -0.23 1.67 2.07 -1.10 -1.09 116.25 119.04 3mg9 h VAL 182 Ca 0.11 -1.58 0.05 0.00 0.82 0.00 0.00 66.70 66.10 3mg9 h VAL 182 Cb 0.09 1.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 3mg9 h VAL 182 CO -0.13 0.50 -0.10 -0.08 0.02 0.00 0.00 177.57 177.79 3mg9 h GLU 183 N 0.45 -0.06 -0.40 1.57 4.22 -1.15 -2.33 114.58 116.89 3mg9 h GLU 183 Ca 0.03 0.00 0.06 0.00 0.08 0.00 0.00 59.36 59.53 3mg9 h GLU 183 Cb 0.97 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.18 3mg9 h GLU 183 CO 0.09 -0.04 0.10 0.35 -2.18 0.00 0.00 179.01 177.32 3mg9 h PHE 184 N -0.06 0.16 0.00 0.92 3.57 -0.72 -2.78 116.94 118.03 3mg9 h PHE 184 Ca 0.12 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 3mg9 h PHE 184 Cb 0.24 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 3mg9 h PHE 184 CO -0.27 0.03 -0.20 -0.07 -2.23 0.00 0.00 178.31 175.57 3mg9 h LEU 185 N 0.23 0.00 -2.18 0.59 3.38 -0.86 -3.47 115.31 113.00 3mg9 h LEU 185 Ca 0.19 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.90 3mg9 h LEU 185 Cb 0.22 0.00 0.18 0.00 0.09 0.00 0.00 40.66 41.14 3mg9 h LEU 185 CO -0.24 0.20 -0.78 -0.67 0.09 0.00 0.00 178.44 177.05 3mg9 n ASP 186 N -4.10 -4.74 -0.07 -0.43 2.03 -0.91 -4.87 116.55 103.47 3mg9 n ASP 186 Ca -0.02 -0.63 0.08 0.00 0.52 0.00 0.00 54.79 54.73 3mg9 n ASP 186 Cb 0.27 -4.90 0.43 0.00 -0.72 0.00 0.00 41.12 36.21 3mg9 n ASP 186 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3mg9 n LEU 187 N -3.43 0.20 0.00 -2.67 4.77 -1.26 -4.51 117.00 110.10 3mg9 n LEU 187 Ca -0.14 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 3mg9 n LEU 187 Cb 0.63 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 3mg9 n LEU 187 CO 0.56 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 3mg9 n GLY 188 N 0.78 2.36 0.46 -0.72 0.00 -1.26 -4.94 105.19 101.87 3mg9 n GLY 188 Ca 0.12 -1.30 0.06 0.00 0.00 0.00 0.00 46.02 44.90 3mg9 n GLY 188 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mg9 n GLY 189 N 1.97 -1.56 3.76 -0.02 0.00 -1.26 -4.86 105.19 103.22 3mg9 n GLY 189 Ca 0.00 -1.41 -0.40 0.00 0.00 0.00 0.00 46.02 44.20 3mg9 n GLY 189 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3mg9 s PRO 190 N -1.53 4.50 -0.25 1.61 0.02 -1.26 -4.99 135.00 133.11 3mg9 s PRO 190 Ca 0.00 2.00 -0.29 0.00 0.02 0.00 0.00 61.00 62.74 3mg9 s PRO 190 Cb 0.00 -3.13 0.01 0.00 0.02 0.00 0.00 34.50 31.40 3mg9 s PRO 190 CO 0.00 0.02 1.03 0.14 -0.33 0.00 0.00 177.00 177.85 3mg9 s VAL 191 N -1.13 4.66 -0.06 3.83 -7.23 -1.26 -5.03 120.40 114.18 3mg9 s VAL 191 Ca 0.47 1.92 -0.10 0.00 -1.81 0.00 0.00 61.98 62.45 3mg9 s VAL 191 Cb -0.36 -4.31 -0.05 0.00 0.56 0.00 0.00 36.38 32.22 3mg9 s VAL 191 CO 0.47 -0.24 0.26 1.51 -0.31 0.00 0.00 175.10 176.79 3mg9 s ASP 192 N 1.31 6.57 0.60 4.85 -4.77 -1.26 -4.96 116.67 119.01 3mg9 s ASP 192 Ca 0.43 0.68 0.30 0.00 -3.30 0.00 0.00 52.55 50.66 3mg9 s ASP 192 Cb -0.14 -2.15 1.70 0.00 -1.09 0.00 0.00 42.92 41.24 3mg9 s ASP 192 CO 0.08 0.36 2.12 -0.29 0.70 0.00 0.00 175.17 178.14 3mg9 h ILE 193 N 3.80 0.43 -0.15 2.11 6.09 -1.99 -1.67 117.51 126.14 3mg9 h ILE 193 Ca -0.53 0.00 -0.16 0.00 -1.37 0.00 0.00 64.86 62.80 3mg9 h ILE 193 Cb 1.22 0.85 -0.01 0.00 0.47 0.00 0.00 36.82 39.36 3mg9 h ILE 193 CO 0.60 0.00 -0.58 -0.08 -3.07 0.00 0.00 178.15 175.01 3mg9 h GLU 194 N 0.00 0.48 0.00 2.19 4.57 -1.99 -0.35 114.58 119.48 3mg9 h GLU 194 Ca 0.07 -0.32 -0.17 0.00 -1.18 0.00 0.00 59.36 57.76 3mg9 h GLU 194 Cb 0.44 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.05 3mg9 h GLU 194 CO -0.00 0.93 -0.81 -0.44 -1.18 0.00 0.00 179.01 177.50 3mg9 h ASP 195 N 0.36 0.00 -0.60 1.04 3.32 -1.66 -2.37 116.42 116.51 3mg9 h ASP 195 Ca -0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 3mg9 h ASP 195 Cb 1.12 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.65 3mg9 h ASP 195 CO 0.11 0.81 0.11 0.40 -1.72 0.00 0.00 179.24 178.94 3mg9 h ILE 196 N 0.00 1.26 -0.23 0.35 1.08 -1.19 -2.25 117.51 116.52 3mg9 h ILE 196 Ca -0.01 -0.98 -0.02 0.00 -0.39 0.00 0.00 64.86 63.45 3mg9 h ILE 196 Cb 1.47 0.73 -0.01 0.00 -3.07 0.00 0.00 36.82 35.94 3mg9 h ILE 196 CO 0.11 0.36 0.05 -0.09 -0.69 0.00 0.00 178.15 177.89 3mg9 h ARG 197 N 0.90 0.36 -0.90 2.37 2.43 -0.97 -2.15 114.38 116.43 3mg9 h ARG 197 Ca 0.18 -0.09 0.16 0.00 -0.81 0.00 0.00 59.98 59.43 3mg9 h ARG 197 Cb 0.41 -0.05 -0.10 0.00 -0.42 0.00 0.00 29.97 29.82 3mg9 h ARG 197 CO 0.01 0.48 0.48 0.00 -1.51 0.00 0.00 179.97 179.43 3mg9 h ARG 198 N 0.18 0.64 -0.58 0.20 -0.00 -1.36 0.15 114.38 113.62 3mg9 h ARG 198 Ca 0.07 -0.04 -0.08 0.00 -0.50 0.00 0.00 59.98 59.44 3mg9 h ARG 198 Cb 0.28 -0.14 -0.02 0.00 0.00 0.00 0.00 29.97 30.08 3mg9 h ARG 198 CO 0.00 0.42 0.06 0.00 0.00 0.00 0.00 179.97 180.45 3mg9 h ALA 199 N 1.59 1.01 -0.12 0.04 0.00 -1.06 -1.60 119.26 119.11 3mg9 h ALA 199 Ca 0.50 -0.27 -0.23 0.00 0.00 0.00 0.00 54.91 54.91 3mg9 h ALA 199 Cb 0.73 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.31 3mg9 h ALA 199 CO -0.37 0.62 -0.83 0.28 0.00 0.00 0.00 179.25 178.94 3mg9 h VAL 200 N 0.89 1.28 -0.75 0.00 2.07 -0.67 -2.67 116.25 116.40 3mg9 h VAL 200 Ca 0.18 -2.04 0.04 0.00 0.82 0.00 0.00 66.70 65.70 3mg9 h VAL 200 Cb 0.45 2.07 -0.05 0.00 -1.52 0.00 0.00 31.29 32.23 3mg9 h VAL 200 CO 0.02 0.64 0.46 0.00 0.02 0.00 0.00 177.57 178.71 3mg9 h ALA 201 N 0.55 1.00 -0.44 1.67 0.00 -0.64 -1.24 119.26 120.15 3mg9 h ALA 201 Ca -0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3mg9 h ALA 201 Cb 1.47 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 3mg9 h ALA 201 CO 0.17 0.21 0.11 0.00 0.00 0.00 0.00 179.25 179.74 3mg9 h ALA 202 N 1.34 1.37 -0.41 0.00 0.00 -1.23 -0.84 119.26 119.50 3mg9 h ALA 202 Ca 0.31 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3mg9 h ALA 202 Cb 0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3mg9 h ALA 202 CO -0.14 0.45 0.01 1.03 0.00 0.00 0.00 179.25 180.60 3mg9 h SER 203 N 0.64 0.71 -1.01 0.00 0.87 -1.03 -1.74 113.55 111.99 3mg9 h SER 203 Ca 0.15 -0.30 0.04 0.00 -1.23 0.00 0.00 61.79 60.44 3mg9 h SER 203 Cb 0.24 -0.19 -0.06 0.00 -0.44 0.00 0.00 62.40 61.95 3mg9 h SER 203 CO -0.00 0.84 0.66 0.74 -0.53 0.00 0.00 176.83 178.53 3mg9 h THR 204 N 0.56 1.17 -0.34 2.23 2.02 -0.87 -1.44 112.91 116.24 3mg9 h THR 204 Ca 0.12 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 3mg9 h THR 204 Cb 0.47 -0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 3mg9 h THR 204 CO 0.02 0.23 0.19 0.25 0.37 0.00 0.00 175.52 176.58 3mg9 h LEU 205 N 1.27 0.43 -0.48 2.58 6.46 -0.87 -0.54 115.31 124.16 3mg9 h LEU 205 Ca 0.40 -0.09 0.05 0.00 -0.12 0.00 0.00 57.88 58.13 3mg9 h LEU 205 Cb 0.01 -0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 39.78 3mg9 h LEU 205 CO -0.13 0.39 0.21 -0.08 -0.62 0.00 0.00 178.44 178.22 3mg9 h GLU 206 N 0.43 0.40 -0.40 1.25 4.57 -0.75 -1.13 114.58 118.95 3mg9 h GLU 206 Ca 0.12 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.28 3mg9 h GLU 206 Cb 0.06 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 3mg9 h GLU 206 CO -0.02 0.27 0.27 0.00 -1.18 0.00 0.00 179.01 178.35 3mg9 h ARG 207 N 0.42 0.51 -0.24 1.92 2.47 -0.72 -1.29 114.38 117.44 3mg9 h ARG 207 Ca 0.22 -0.03 -0.11 0.00 -1.26 0.00 0.00 59.98 58.80 3mg9 h ARG 207 Cb 0.17 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.37 3mg9 h ARG 207 CO -0.19 0.34 -0.31 0.52 0.56 0.00 0.00 179.97 180.90 3mg9 h MET 208 N 0.53 0.48 -0.50 0.04 2.86 0.06 -1.07 114.93 117.33 3mg9 h MET 208 Ca 0.15 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 3mg9 h MET 208 Cb -0.03 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 3mg9 h MET 208 CO -0.03 0.74 0.28 0.00 1.06 0.00 0.00 176.91 178.95 3mg9 h ARG 209 N 0.42 0.69 -0.37 1.72 3.08 -0.24 -2.32 114.38 117.36 3mg9 h ARG 209 Ca 0.05 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 3mg9 h ARG 209 Cb 0.75 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 3mg9 h ARG 209 CO 0.06 0.53 0.03 0.93 -1.07 0.00 0.00 179.97 180.45 3mg9 h GLU 210 N 0.66 0.63 -0.46 0.04 4.39 -1.12 -2.49 114.58 116.24 3mg9 h GLU 210 Ca 0.18 -0.19 0.05 0.00 0.34 0.00 0.00 59.36 59.74 3mg9 h GLU 210 Cb 0.04 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.58 3mg9 h GLU 210 CO -0.03 0.72 0.19 1.25 -1.16 0.00 0.00 179.01 179.99 3mg9 h LEU 211 N 0.46 0.24 -0.65 1.33 5.85 -1.16 0.72 115.31 122.10 3mg9 h LEU 211 Ca 0.11 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.88 3mg9 h LEU 211 Cb 0.42 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 3mg9 h LEU 211 CO 0.01 0.17 0.43 -0.08 -0.34 0.00 0.00 178.44 178.63 3mg9 h GLU 212 N 0.39 0.84 -0.17 1.25 4.81 -1.35 -1.11 114.58 119.24 3mg9 h GLU 212 Ca 0.21 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.29 3mg9 h GLU 212 Cb 0.17 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 3mg9 h GLU 212 CO -0.19 0.56 -0.33 0.87 -0.73 0.00 0.00 179.01 179.19 3mg9 h LYS 213 N 0.87 0.35 0.00 1.92 1.57 -0.97 -2.27 116.57 118.04 3mg9 h LYS 213 Ca 0.24 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 3mg9 h LYS 213 Cb -0.09 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3mg9 h LYS 213 CO -0.06 0.65 -0.21 0.00 -0.57 0.00 0.00 179.45 179.27 3mg9 h ARG 214 N 0.31 0.00 0.00 3.15 3.08 -0.46 -3.03 114.38 117.42 3mg9 h ARG 214 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3mg9 h ARG 214 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.79 3mg9 h ARG 214 CO 0.06 0.21 -0.19 0.43 -1.07 0.00 0.00 179.97 179.40 3mg9 n SER 215 N -3.40 0.30 0.32 7.04 7.64 -0.46 -5.09 113.62 119.98 3mg9 n SER 215 Ca -0.00 0.27 0.21 0.00 1.01 0.00 0.00 58.87 60.36 3mg9 n SER 215 Cb 0.41 -0.27 1.10 0.00 -1.01 0.00 0.00 64.21 64.43 3mg9 n SER 215 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3mg9 h GLU 216 N 0.00 0.00 -1.91 1.43 5.08 -1.41 -3.51 114.58 114.26 3mg9 h GLU 216 Ca 0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 3mg9 h GLU 216 Cb 0.55 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.81 3mg9 h GLU 216 CO 0.00 0.00 0.18 0.41 -1.00 0.00 0.00 179.01 178.60 3mg9 n GLY 247 N -1.12 0.03 0.00 -3.84 0.00 -1.26 -5.17 105.19 93.83 3mg9 n GLY 247 Ca -0.03 0.30 0.06 0.00 0.00 0.00 0.00 46.02 46.36 3mg9 n GLY 247 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mg9 n ARG 248 N 1.10 2.52 -5.06 1.61 1.74 -1.26 -4.85 116.66 112.46 3mg9 n ARG 248 Ca 0.09 -0.02 -0.32 0.00 -0.77 0.00 0.00 57.85 56.83 3mg9 n ARG 248 Cb -0.01 -1.12 -0.14 0.00 -1.02 0.00 0.00 32.46 30.17 3mg9 n ARG 248 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3mg9 s TYR 249 N -2.28 2.55 -1.31 -1.55 2.02 -1.26 -4.65 117.35 110.87 3mg9 s TYR 249 Ca 0.03 -0.27 -0.02 0.00 -0.37 0.00 0.00 57.07 56.43 3mg9 s TYR 249 Cb 0.09 -1.57 0.01 0.00 -0.40 0.00 0.00 41.96 40.09 3mg9 s TYR 249 CO 0.51 0.09 0.84 -3.47 -1.57 0.00 0.00 175.55 171.96 3mg9 n ASP 250 N 2.35 -2.16 -4.75 2.29 4.64 -1.26 -4.87 116.55 112.80 3mg9 n ASP 250 Ca -0.17 -0.74 -0.41 0.00 -1.38 0.00 0.00 54.79 52.09 3mg9 n ASP 250 Cb 0.52 -4.39 -0.03 0.00 -1.04 0.00 0.00 41.12 36.17 3mg9 n ASP 250 CO 0.00 0.00 0.00 -1.10 -0.82 0.00 0.00 177.20 175.28 3mg9 s GLN 251 N -5.91 4.50 0.46 -0.67 -0.21 -1.26 -4.99 119.66 111.58 3mg9 s GLN 251 Ca 0.12 1.93 -0.23 0.00 0.02 0.00 0.00 55.36 57.21 3mg9 s GLN 251 Cb -0.06 -3.19 -0.07 0.00 1.00 0.00 0.00 33.01 30.69 3mg9 s GLN 251 CO 0.79 -0.03 1.14 0.45 -2.12 0.00 0.00 175.29 175.52 3mg9 s SER 252 N -0.26 6.18 0.00 5.90 0.15 -1.26 -4.83 113.70 119.58 3mg9 s SER 252 Ca 0.50 2.25 0.23 0.00 0.70 0.00 0.00 55.95 59.63 3mg9 s SER 252 Cb -0.34 -2.60 0.30 0.00 -1.71 0.00 0.00 66.02 61.68 3mg9 s SER 252 CO 0.41 -0.90 1.31 0.18 1.20 0.00 0.00 173.24 175.43 3mg9 n LEU 253 N -0.56 3.19 0.28 3.45 4.32 -1.26 -4.59 117.00 121.83 3mg9 n LEU 253 Ca 0.08 -1.27 0.17 0.00 -0.02 0.00 0.00 56.01 54.97 3mg9 n LEU 253 Cb 0.49 -0.13 0.75 0.00 -1.62 0.00 0.00 43.42 42.90 3mg9 n LEU 253 CO 0.46 0.62 1.01 0.77 -1.22 0.00 0.00 177.39 179.03 3mg9 h SER 254 N 4.43 0.00 0.06 -1.43 4.64 -1.93 -1.84 113.55 117.48 3mg9 h SER 254 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mg9 h SER 254 Cb 0.96 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.05 3mg9 h SER 254 CO 0.00 0.03 -0.00 2.19 -0.87 0.00 0.00 176.83 178.17 3mg9 h PHE 255 N 0.00 0.00 0.00 4.77 -5.15 -2.02 -0.71 116.94 113.83 3mg9 h PHE 255 Ca -0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3mg9 h PHE 255 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.62 3mg9 h PHE 255 CO 0.00 0.00 -0.50 1.28 -2.00 0.00 0.00 178.31 177.09 3mg9 n LEU 256 N -3.14 0.53 0.00 2.10 4.77 -0.69 -5.01 117.00 115.56 3mg9 n LEU 256 Ca -0.03 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 3mg9 n LEU 256 Cb 0.09 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 3mg9 n LEU 256 CO 0.21 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 3mg9 n GLY 257 N 1.43 4.25 0.22 -0.72 0.00 -0.27 -4.84 105.19 105.26 3mg9 n GLY 257 Ca 0.05 -1.36 0.03 0.00 0.00 0.00 0.00 46.02 44.74 3mg9 n GLY 257 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3mg9 h GLU 258 N 0.00 0.12 -0.04 1.61 4.57 -1.89 -2.29 114.58 116.66 3mg9 h GLU 258 Ca 0.00 -0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.05 3mg9 h GLU 258 Cb 0.00 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 3mg9 h GLU 258 CO 0.00 0.33 -0.42 0.38 -1.18 0.00 0.00 179.01 178.12 3mg9 h ASP 259 N 0.11 0.08 0.13 1.04 2.03 -1.94 -0.98 116.42 116.90 3mg9 h ASP 259 Ca 0.02 -0.03 -0.01 0.00 -0.73 0.00 0.00 57.03 56.28 3mg9 h ASP 259 Cb 0.44 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 38.92 3mg9 h ASP 259 CO 0.03 0.50 -0.06 0.40 -1.03 0.00 0.00 179.24 179.07 3mg9 h ILE 260 N 0.07 1.05 -0.97 4.15 1.08 -1.73 -0.05 117.51 121.11 3mg9 h ILE 260 Ca 0.00 -0.98 0.03 0.00 -0.39 0.00 0.00 64.86 63.52 3mg9 h ILE 260 Cb 0.77 1.63 -0.05 0.00 -3.07 0.00 0.00 36.82 36.10 3mg9 h ILE 260 CO 0.06 0.22 0.64 -0.08 -0.69 0.00 0.00 178.15 178.30 3mg9 h GLU 261 N -0.66 1.20 -0.36 2.37 4.57 -1.51 -0.85 114.58 119.33 3mg9 h GLU 261 Ca -0.02 -0.07 -0.13 0.00 -1.18 0.00 0.00 59.36 57.97 3mg9 h GLU 261 Cb 0.50 -0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 3mg9 h GLU 261 CO 0.03 0.79 -0.26 1.03 -1.18 0.00 0.00 179.01 179.42 3mg9 h SER 262 N 1.23 0.86 -0.37 1.04 0.87 -1.15 -1.65 113.55 114.38 3mg9 h SER 262 Ca 0.38 -0.44 -0.11 0.00 -1.23 0.00 0.00 61.79 60.39 3mg9 h SER 262 Cb -0.01 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.69 3mg9 h SER 262 CO -0.11 1.11 -0.16 0.44 -0.53 0.00 0.00 176.83 177.58 3mg9 h ASP 263 N 0.61 0.84 -0.32 6.23 3.32 -0.71 -1.73 116.42 124.66 3mg9 h ASP 263 Ca 0.07 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 56.83 3mg9 h ASP 263 Cb 0.83 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 3mg9 h ASP 263 CO 0.07 1.00 0.18 0.22 -1.72 0.00 0.00 179.24 178.99 3mg9 h TYR 264 N 0.74 0.43 -0.72 4.55 5.03 -0.99 -2.39 116.97 123.62 3mg9 h TYR 264 Ca 0.11 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.41 3mg9 h TYR 264 Cb 0.68 -0.14 -0.03 0.00 1.55 0.00 0.00 36.73 38.78 3mg9 h TYR 264 CO 0.04 0.34 0.42 1.96 -1.32 0.00 0.00 178.16 179.60 3mg9 h GLN 265 N 0.40 0.98 -0.82 1.82 1.08 -1.15 -1.29 115.11 116.13 3mg9 h GLN 265 Ca 0.11 -0.10 0.09 0.00 -1.45 0.00 0.00 58.65 57.30 3mg9 h GLN 265 Cb 0.04 -0.20 -0.07 0.00 -0.05 0.00 0.00 27.48 27.20 3mg9 h GLN 265 CO -0.02 0.71 0.48 1.49 -0.95 0.00 0.00 178.83 180.53 3mg9 h GLU 266 N 0.98 0.79 -0.68 1.46 4.81 -1.11 -1.22 114.58 119.62 3mg9 h GLU 266 Ca 0.26 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.40 3mg9 h GLU 266 Cb -0.02 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.16 3mg9 h GLU 266 CO -0.05 0.53 0.29 1.25 -0.73 0.00 0.00 179.01 180.29 3mg9 h LEU 267 N 0.82 0.92 -1.71 1.64 5.85 -0.85 -2.74 115.31 119.25 3mg9 h LEU 267 Ca 0.39 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.91 3mg9 h LEU 267 Cb 0.31 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3mg9 h LEU 267 CO -0.23 0.83 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.47 3mg9 h LEU 268 N 0.96 0.00 -3.11 2.25 3.38 -0.15 -3.18 115.31 115.47 3mg9 h LEU 268 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3mg9 h LEU 268 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3mg9 h LEU 268 CO -0.02 0.17 0.00 1.41 0.09 0.00 0.00 178.44 180.09 3mg9 n HIS 269 N -4.21 0.90 -0.69 1.13 8.25 -0.65 -4.64 115.22 115.31 3mg9 n HIS 269 Ca -0.02 -0.68 0.00 0.00 -0.26 0.00 0.00 57.72 56.75 3mg9 n HIS 269 Cb 0.24 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.15 3mg9 n HIS 269 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3mg9 n GLY 270 N 0.22 0.93 0.51 -1.41 0.00 -1.06 -5.03 105.19 99.35 3mg9 n GLY 270 Ca 0.19 -1.75 0.06 0.00 0.00 0.00 0.00 46.02 44.52 3mg9 n GLY 270 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3mg9 n ASP 271 N 0.00 1.49 -4.68 1.61 3.85 -1.26 -4.81 116.55 112.75 3mg9 n ASP 271 Ca 0.00 -2.92 -0.29 0.00 -0.71 0.00 0.00 54.79 50.86 3mg9 n ASP 271 Cb 0.00 -0.39 0.16 0.00 -1.35 0.00 0.00 41.12 39.54 3mg9 n ASP 271 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 3mg9 s SER 272 N -2.46 2.93 0.29 -1.12 1.04 -1.26 -4.83 113.70 108.29 3mg9 s SER 272 Ca 0.27 1.39 0.01 0.00 0.48 0.00 0.00 55.95 58.11 3mg9 s SER 272 Cb 0.26 -2.07 0.54 0.00 0.10 0.00 0.00 66.02 64.85 3mg9 s SER 272 CO -0.03 -2.97 1.85 1.23 0.98 0.00 0.00 173.24 174.30 3mg9 h GLY 273 N -1.78 1.57 0.26 7.32 0.00 -1.98 -1.44 103.07 107.02 3mg9 h GLY 273 Ca -0.52 -0.43 0.07 0.00 0.00 0.00 0.00 47.33 46.45 3mg9 h GLY 273 CO 0.55 0.21 -0.12 -2.75 0.00 0.00 0.00 176.54 174.43 3mg9 h PHE 274 N 1.02 -0.27 -0.26 5.60 3.04 -1.92 -0.56 116.94 123.59 3mg9 h PHE 274 Ca 0.47 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 62.36 3mg9 h PHE 274 Cb 0.41 0.17 -0.01 0.00 2.56 0.00 0.00 35.95 39.08 3mg9 h PHE 274 CO -0.00 -0.19 -0.25 0.00 -2.02 0.00 0.00 178.31 175.85 3mg9 h ALA 275 N 1.25 1.09 0.08 2.41 0.00 -1.60 -1.71 119.26 120.78 3mg9 h ALA 275 Ca 0.17 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3mg9 h ALA 275 Cb 0.30 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3mg9 h ALA 275 CO -0.37 0.56 -0.04 1.25 0.00 0.00 0.00 179.25 180.65 3mg9 h LEU 276 N 0.44 -0.09 -0.61 0.00 5.85 -0.79 -1.63 115.31 118.49 3mg9 h LEU 276 Ca 0.06 -0.14 -0.14 0.00 0.84 0.00 0.00 57.88 58.51 3mg9 h LEU 276 Cb 0.67 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 3mg9 h LEU 276 CO 0.05 0.08 -0.41 1.88 -0.34 0.00 0.00 178.44 179.70 3mg9 h TYR 277 N -0.26 0.77 -0.37 1.25 0.05 -1.07 -0.44 116.97 116.90 3mg9 h TYR 277 Ca -0.01 -0.23 0.00 0.00 0.05 0.00 0.00 58.73 58.55 3mg9 h TYR 277 Cb 0.22 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.78 3mg9 h TYR 277 CO -0.02 0.95 0.24 0.00 -1.05 0.00 0.00 178.16 178.27 3mg9 h ALA 278 N 1.02 0.47 -0.27 3.88 0.00 -1.27 -0.80 119.26 122.29 3mg9 h ALA 278 Ca 0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3mg9 h ALA 278 Cb 0.93 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3mg9 h ALA 278 CO 0.08 -0.07 0.09 0.87 0.00 0.00 0.00 179.25 180.23 3mg9 h LYS 279 N 0.50 0.41 -0.33 0.00 6.56 -1.21 0.52 116.57 123.02 3mg9 h LYS 279 Ca 0.13 -0.08 0.06 0.00 -1.06 0.00 0.00 60.65 59.70 3mg9 h LYS 279 Cb -0.05 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 31.53 3mg9 h LYS 279 CO -0.03 0.46 0.22 0.37 -2.06 0.00 0.00 179.45 178.42 3mg9 h GLN 280 N 0.27 0.17 -0.38 3.15 4.15 -0.63 -2.25 115.11 119.59 3mg9 h GLN 280 Ca 0.09 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.50 3mg9 h GLN 280 Cb 0.22 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.87 3mg9 h GLN 280 CO -0.00 0.11 0.00 0.66 -1.93 0.00 0.00 178.83 177.67 3mg9 n TYR 281 N -4.48 1.13 -2.45 3.99 4.01 -0.34 -4.95 117.16 114.07 3mg9 n TYR 281 Ca 0.04 -0.76 -0.14 0.00 -0.16 0.00 0.00 57.90 56.88 3mg9 n TYR 281 Cb 0.27 -0.30 0.01 0.00 -0.31 0.00 0.00 39.34 39.01 3mg9 n TYR 281 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mg9 n GLY 282 N 0.05 -0.13 0.79 2.72 0.00 -0.85 -4.92 105.19 102.85 3mg9 n GLY 282 Ca 0.21 -0.28 0.08 0.00 0.00 0.00 0.00 46.02 46.04 3mg9 n GLY 282 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3mg9 n TYR 283 N -4.03 0.25 -0.11 1.61 4.01 0.18 -4.57 117.16 114.50 3mg9 n TYR 283 Ca -0.12 -0.18 -0.14 0.00 -0.16 0.00 0.00 57.90 57.30 3mg9 n TYR 283 Cb 0.60 -0.01 -0.14 0.00 -0.31 0.00 0.00 39.34 39.49 3mg9 n TYR 283 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3mg9 n ALA 284 N 0.99 1.46 0.00 -0.72 0.00 -1.10 -4.88 120.51 116.26 3mg9 n ALA 284 Ca 0.13 -1.20 0.00 0.00 0.00 0.00 0.00 53.44 52.37 3mg9 n ALA 284 Cb 0.46 -0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.74 3mg9 n ALA 284 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91