#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sj9 h ASP 6005N 0.00 0.00 -3.27 -3.46 3.45 -1.60 -3.43 116.42 108.10 1sj9 h ASP 6005Ca 0.00 0.00 -0.66 0.00 0.43 0.00 0.00 57.03 56.80 1sj9 h ASP 6005Cb 0.00 0.00 -0.13 0.00 -0.56 0.00 0.00 39.33 38.64 1sj9 h ASP 6005CO 0.00 0.41 -0.62 0.68 -1.57 0.00 0.00 179.24 178.14 1sj9 s VAL 6006N -3.43 4.35 -0.05 -1.35 -7.23 -1.21 -5.05 120.40 106.43 1sj9 s VAL 6006Ca 0.01 -0.49 -0.17 0.00 -1.81 0.00 0.00 61.98 59.53 1sj9 s VAL 6006Cb 0.10 -2.94 -0.11 0.00 0.56 0.00 0.00 36.38 33.99 1sj9 s VAL 6006CO 0.70 0.40 0.68 0.15 -0.31 0.00 0.00 175.10 176.72 1sj9 h PHE 6007N 4.40 -0.28 0.00 2.82 3.04 -1.93 -3.24 116.94 121.74 1sj9 h PHE 6007Ca -0.49 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.45 1sj9 h PHE 6007Cb 1.18 0.09 0.00 0.00 2.56 0.00 0.00 35.95 39.78 1sj9 h PHE 6007CO 0.62 0.03 -0.00 0.45 -2.02 0.00 0.00 178.31 177.39 1sj9 h HIS 6008N -0.99 -0.00 -0.65 0.41 3.86 -1.97 -3.36 115.15 112.45 1sj9 h HIS 6008Ca -0.03 -0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.13 1sj9 h HIS 6008Cb 0.44 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.88 1sj9 h HIS 6008CO 0.05 0.90 0.21 -0.07 0.86 0.00 0.00 177.93 179.88 1sj9 h LEU 6009N -0.93 0.94 -2.23 2.43 4.07 -1.92 -3.42 115.31 114.25 1sj9 h LEU 6009Ca -0.00 -0.20 -0.10 0.00 0.08 0.00 0.00 57.88 57.66 1sj9 h LEU 6009Cb 0.91 -0.25 0.06 0.00 1.08 0.00 0.00 40.66 42.46 1sj9 h LEU 6009CO 0.00 0.89 -0.27 0.61 -1.08 0.00 0.00 178.44 178.60 1sj9 n GLY 6010N -0.74 0.19 3.40 0.83 0.00 -1.22 -4.41 105.19 103.24 1sj9 n GLY 6010Ca 0.04 -0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 1sj9 n GLY 6010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sj9 s LEU 6011N -3.57 1.83 0.12 0.99 1.43 -1.26 -3.80 118.68 114.42 1sj9 s LEU 6011Ca 0.06 -1.64 0.04 0.00 -1.03 0.00 0.00 54.13 51.55 1sj9 s LEU 6011Cb -0.01 0.14 -0.04 0.00 0.03 0.00 0.00 46.19 46.31 1sj9 s LEU 6011CO 0.24 -0.94 -0.11 0.28 0.23 0.00 0.00 176.35 176.06 1sj9 s THR 6012N -3.40 1.09 0.30 5.49 -1.32 -1.26 -1.21 115.64 115.33 1sj9 s THR 6012Ca 0.32 -1.76 0.03 0.00 -1.21 0.00 0.00 61.69 59.06 1sj9 s THR 6012Cb 0.03 -1.52 0.35 0.00 -1.51 0.00 0.00 72.50 69.86 1sj9 s THR 6012CO 0.18 -0.57 1.61 0.11 -2.21 0.00 0.00 174.62 173.74 1sj9 h LYS 6013N 3.36 0.09 -0.27 7.08 1.79 -1.97 0.14 116.57 126.80 1sj9 h LYS 6013Ca -0.38 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.06 1sj9 h LYS 6013Cb 1.19 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.80 1sj9 h LYS 6013CO 0.55 0.06 0.07 -2.95 -1.08 0.00 0.00 179.45 176.10 1sj9 h ASN 6014N 0.10 0.35 -0.55 0.86 -1.07 -1.97 -2.42 115.58 110.87 1sj9 h ASN 6014Ca 0.59 -0.04 0.12 0.00 0.07 0.00 0.00 56.30 57.03 1sj9 h ASN 6014Cb 1.23 -0.09 -0.03 0.00 -2.07 0.00 0.00 38.32 37.36 1sj9 h ASN 6014CO -0.78 0.36 0.38 0.44 0.07 0.00 0.00 177.43 177.90 1sj9 h ASP 6015N 0.39 0.22 0.86 6.14 5.19 -1.12 0.49 116.42 128.59 1sj9 h ASP 6015Ca 0.09 0.01 -0.14 0.00 -0.62 0.00 0.00 57.03 56.37 1sj9 h ASP 6015Cb 0.15 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 39.60 1sj9 h ASP 6015CO -0.00 0.13 -0.66 -0.07 -3.12 0.00 0.00 179.24 175.51 1sj9 h LEU 6016N 0.24 0.00 -2.13 1.55 4.07 -1.50 -3.48 115.31 114.06 1sj9 h LEU 6016Ca 0.26 0.00 -0.28 0.00 0.08 0.00 0.00 57.88 57.94 1sj9 h LEU 6016Cb 0.70 0.00 0.18 0.00 1.08 0.00 0.00 40.66 42.63 1sj9 h LEU 6016CO -0.05 0.66 -0.81 0.00 -1.08 0.00 0.00 178.44 177.16 1sj9 n GLN 6017N -3.56 -3.98 0.00 1.13 6.02 0.16 -2.39 117.38 114.76 1sj9 n GLN 6017Ca -0.00 0.85 0.00 0.00 -0.01 0.00 0.00 57.00 57.84 1sj9 n GLN 6017Cb 0.69 -5.79 0.00 0.00 1.02 0.00 0.00 30.24 26.16 1sj9 n GLN 6017CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sj9 n GLY 6018N -1.19 2.16 3.58 1.08 0.00 -1.26 -4.62 105.19 104.95 1sj9 n GLY 6018Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 1sj9 n GLY 6018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sj9 n ALA 6019N 0.28 -0.16 -2.59 4.61 0.00 -1.01 -4.92 120.51 116.72 1sj9 n ALA 6019Ca 0.00 0.29 0.03 0.00 0.00 0.00 0.00 53.44 53.76 1sj9 n ALA 6019Cb 0.00 -2.02 0.03 0.00 0.00 0.00 0.00 19.45 17.46 1sj9 n ALA 6019CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1sj9 n GLN 6020N 0.44 0.46 -3.63 0.00 -0.06 -1.26 -4.46 117.38 108.87 1sj9 n GLN 6020Ca 0.10 -2.40 -0.12 0.00 -2.00 0.00 0.00 57.00 52.58 1sj9 n GLN 6020Cb 0.36 -0.42 -0.07 0.00 -4.06 0.00 0.00 30.24 26.05 1sj9 n GLN 6020CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 1sj9 s LEU 6021N -1.01 -0.80 0.02 1.69 0.20 -1.26 -2.74 118.68 114.78 1sj9 s LEU 6021Ca 0.32 1.46 -0.00 0.00 0.69 0.00 0.00 54.13 56.60 1sj9 s LEU 6021Cb 0.37 2.43 -0.02 0.00 -0.43 0.00 0.00 46.19 48.54 1sj9 s LEU 6021CO -0.14 -0.25 -0.02 0.00 -0.29 0.00 0.00 176.35 175.66 1sj9 s ALA 6022N 0.79 0.08 -0.39 5.97 0.00 0.93 -2.10 121.76 127.04 1sj9 s ALA 6022Ca -0.03 -0.46 -0.14 0.00 0.00 0.00 0.00 51.96 51.33 1sj9 s ALA 6022Cb -0.05 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.20 1sj9 s ALA 6022CO -0.06 -0.13 0.27 0.42 0.00 0.00 0.00 175.76 176.27 1sj9 s ILE 6023N -1.15 5.13 -0.90 0.00 1.09 -0.25 0.33 121.20 125.44 1sj9 s ILE 6023Ca -0.13 -0.63 -0.15 0.00 -1.10 0.00 0.00 60.65 58.64 1sj9 s ILE 6023Cb -0.08 -3.82 0.19 0.00 -1.06 0.00 0.00 42.46 37.69 1sj9 s ILE 6023CO -0.01 -0.25 0.95 0.68 -0.10 0.00 0.00 174.94 176.21 1sj9 s VAL 6024N 1.66 5.33 0.00 2.92 -7.23 0.27 -2.57 120.40 120.79 1sj9 s VAL 6024Ca 0.05 -2.27 0.00 0.00 -1.81 0.00 0.00 61.98 57.95 1sj9 s VAL 6024Cb -0.19 -4.60 0.00 0.00 0.56 0.00 0.00 36.38 32.15 1sj9 s VAL 6024CO 0.09 -1.23 0.00 -0.81 -0.31 0.00 0.00 175.10 172.85 1sj9 n PRO 6025N 4.79 2.04 -0.06 4.82 -0.04 -1.20 -3.77 135.00 141.57 1sj9 n PRO 6025Ca 0.19 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.53 1sj9 n PRO 6025Cb 0.47 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.89 1sj9 n PRO 6025CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sj9 n GLY 6026N 4.82 -0.19 3.50 0.55 0.00 -1.26 -3.47 105.19 109.14 1sj9 n GLY 6026Ca 0.00 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 1sj9 n GLY 6026CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1sj9 s ASP 6027N -6.04 3.75 0.24 1.61 3.84 -1.26 -2.20 116.67 116.60 1sj9 s ASP 6027Ca -0.16 -0.94 0.21 0.00 -0.00 0.00 0.00 52.55 51.66 1sj9 s ASP 6027Cb 0.06 -0.39 0.94 0.00 -1.38 0.00 0.00 42.92 42.15 1sj9 s ASP 6027CO 0.21 0.04 1.64 -0.81 -0.00 0.00 0.00 175.17 176.25 1sj9 n PRO 6028N -0.56 0.15 -0.09 2.11 -0.04 -1.26 -2.83 135.00 132.48 1sj9 n PRO 6028Ca -0.06 0.46 -0.13 0.00 -0.04 0.00 0.00 63.50 63.73 1sj9 n PRO 6028Cb 0.59 -1.84 -0.04 0.00 -0.04 0.00 0.00 33.50 32.17 1sj9 n PRO 6028CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1sj9 h GLU 6029N 0.00 0.69 -0.12 0.54 5.08 -1.99 -3.27 114.58 115.51 1sj9 h GLU 6029Ca 0.00 -0.37 -0.16 0.00 -1.00 0.00 0.00 59.36 57.83 1sj9 h GLU 6029Cb 0.24 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1sj9 h GLU 6029CO 0.00 0.99 -0.59 0.00 -1.00 0.00 0.00 179.01 178.40 1sj9 h ARG 6030N 0.43 0.39 -0.58 2.33 2.47 -1.96 -3.28 114.38 114.19 1sj9 h ARG 6030Ca 0.04 -0.26 0.17 0.00 -1.26 0.00 0.00 59.98 58.67 1sj9 h ARG 6030Cb 0.87 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 29.20 1sj9 h ARG 6030CO 0.07 0.87 0.55 0.28 0.56 0.00 0.00 179.97 182.31 1sj9 h VAL 6031N 0.30 0.39 0.05 2.04 2.07 -1.60 -2.04 116.25 117.45 1sj9 h VAL 6031Ca -0.00 0.00 -0.35 0.00 0.82 0.00 0.00 66.70 67.17 1sj9 h VAL 6031Cb 1.12 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 1sj9 h VAL 6031CO 0.10 0.00 -2.08 -1.84 0.02 0.00 0.00 177.57 173.77 1sj9 n GLU 6032N -3.81 0.69 0.23 1.57 0.28 -1.24 -2.95 120.64 115.41 1sj9 n GLU 6032Ca 0.11 0.21 0.06 0.00 -0.16 0.00 0.00 57.16 57.38 1sj9 n GLU 6032Cb 0.77 -1.66 0.53 0.00 1.43 0.00 0.00 31.44 32.51 1sj9 n GLU 6032CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 1sj9 h LYS 6033N 0.03 0.00 -0.00 3.44 3.11 -1.47 0.34 116.57 122.01 1sj9 h LYS 6033Ca -0.44 0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 57.34 1sj9 h LYS 6033Cb 2.04 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 33.27 1sj9 h LYS 6033CO 0.04 0.16 -0.24 0.82 -2.81 0.00 0.00 179.45 177.42 1sj9 h ILE 6034N 0.00 1.54 0.00 2.00 2.04 -1.54 -3.03 117.51 118.52 1sj9 h ILE 6034Ca -0.00 -1.92 0.00 0.00 1.00 0.00 0.00 64.86 63.93 1sj9 h ILE 6034Cb 0.28 2.75 0.00 0.00 -0.74 0.00 0.00 36.82 39.11 1sj9 h ILE 6034CO 0.02 0.53 0.00 0.00 0.00 0.00 0.00 178.15 178.70 1sj9 n ALA 6035N -2.53 1.96 -0.03 1.87 0.00 -0.83 -2.79 120.51 118.16 1sj9 n ALA 6035Ca -0.10 -0.08 -0.16 0.00 0.00 0.00 0.00 53.44 53.10 1sj9 n ALA 6035Cb 0.50 -1.29 -0.09 0.00 0.00 0.00 0.00 19.45 18.56 1sj9 n ALA 6035CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sj9 h ALA 6036N 2.84 0.18 -0.12 0.00 0.00 -0.21 -3.31 119.26 118.63 1sj9 h ALA 6036Ca 0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1sj9 h ALA 6036Cb 0.18 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1sj9 h ALA 6036CO 0.00 0.35 0.02 -0.07 0.00 0.00 0.00 179.25 179.55 1sj9 h LEU 6037N 0.06 0.20-10.21 0.00 4.07 -1.60 -3.45 115.31 104.37 1sj9 h LEU 6037Ca -0.04 -0.27 -0.53 0.00 0.08 0.00 0.00 57.88 57.13 1sj9 h LEU 6037Cb 1.14 -0.05 0.17 0.00 1.08 0.00 0.00 40.66 42.99 1sj9 h LEU 6037CO 0.10 0.41 0.34 -0.04 -1.08 0.00 0.00 178.44 178.17 1sj9 s MET 6038N -5.14 1.80 0.08 1.13 -1.94 -1.23 -4.98 119.30 109.03 1sj9 s MET 6038Ca -0.14 1.66 -0.30 0.00 -1.71 0.00 0.00 55.69 55.20 1sj9 s MET 6038Cb 0.06 -1.80 -0.05 0.00 2.01 0.00 0.00 34.83 35.04 1sj9 s MET 6038CO 0.70 -2.07 0.98 -0.51 -0.01 0.00 0.00 175.02 174.12 1sj9 s ASP 6039N -2.31 7.43 -0.87 3.03 -0.00 -1.19 -4.37 116.67 118.39 1sj9 s ASP 6039Ca 0.71 1.78 -0.05 0.00 -0.00 0.00 0.00 52.55 55.00 1sj9 s ASP 6039Cb -0.27 -2.58 -0.01 0.00 -0.00 0.00 0.00 42.92 40.07 1sj9 s ASP 6039CO 0.50 -0.14 0.70 0.29 -0.00 0.00 0.00 175.17 176.51 1sj9 n LYS 6040N 3.12 -1.41 -2.86 8.23 5.02 -1.26 -2.79 118.16 126.20 1sj9 n LYS 6040Ca 0.04 1.01 -0.39 0.00 -2.02 0.00 0.00 58.31 56.95 1sj9 n LYS 6040Cb 0.49 -4.31 -0.06 0.00 -0.02 0.00 0.00 35.03 31.13 1sj9 n LYS 6040CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1sj9 s PRO 6041N -4.32 4.67 -0.01 1.97 0.04 -1.26 -4.41 135.00 131.68 1sj9 s PRO 6041Ca 0.12 1.30 0.01 0.00 0.04 0.00 0.00 61.00 62.47 1sj9 s PRO 6041Cb -0.04 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.35 1sj9 s PRO 6041CO 0.82 0.49 -0.02 0.08 0.04 0.00 0.00 177.00 178.40 1sj9 s VAL 6042N -1.27 0.22 -0.23 -0.36 1.01 0.42 -4.97 120.40 115.22 1sj9 s VAL 6042Ca 0.41 -0.09 -0.26 0.00 0.00 0.00 0.00 61.98 62.04 1sj9 s VAL 6042Cb -0.23 -0.21 -0.00 0.00 0.00 0.00 0.00 36.38 35.93 1sj9 s VAL 6042CO 0.28 0.08 0.91 -0.75 0.00 0.00 0.00 175.10 175.62 1sj9 s LYS 6043N 0.13 4.23 -0.20 2.72 2.36 -1.26 0.86 119.74 128.59 1sj9 s LYS 6043Ca -0.01 1.12 -0.08 0.00 -2.55 0.00 0.00 55.97 54.44 1sj9 s LYS 6043Cb -0.04 -3.63 -0.20 0.00 -1.05 0.00 0.00 37.83 32.91 1sj9 s LYS 6043CO -0.00 -0.53 0.08 1.28 1.55 0.00 0.00 175.35 177.72 1sj9 n LEU 6044N 6.00 2.49 -3.85 5.43 4.77 0.42 -4.92 117.00 127.35 1sj9 n LEU 6044Ca 0.08 0.17 -0.02 0.00 -0.03 0.00 0.00 56.01 56.22 1sj9 n LEU 6044Cb 0.47 -0.99 0.01 0.00 -2.33 0.00 0.00 43.42 40.58 1sj9 n LEU 6044CO 0.49 0.73 0.88 0.00 -1.33 0.00 0.00 177.39 178.16 1sj9 s ALA 6045N -2.50 -1.84 -0.37 -1.18 0.00 -0.35 -4.97 121.76 110.54 1sj9 s ALA 6045Ca -0.29 -0.06 -0.01 0.00 0.00 0.00 0.00 51.96 51.59 1sj9 s ALA 6045Cb 0.08 0.71 0.19 0.00 0.00 0.00 0.00 23.12 24.10 1sj9 s ALA 6045CO 0.65 -1.08 0.87 0.45 0.00 0.00 0.00 175.76 176.65 1sj9 s SER 6046N -3.35 -0.87 0.00 0.00 0.15 -1.26 0.13 113.70 108.51 1sj9 s SER 6046Ca 0.21 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.36 1sj9 s SER 6046Cb -0.01 1.11 0.00 0.00 -1.71 0.00 0.00 66.02 65.41 1sj9 s SER 6046CO 0.03 -0.09 0.00 1.41 1.20 0.00 0.00 173.24 175.79 1sj9 n HIS 6047N 3.90 0.00 0.00 3.44 8.25 -0.41 -4.92 115.22 125.49 1sj9 n HIS 6047Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 1sj9 n HIS 6047Cb 0.60 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.71 1sj9 n HIS 6047CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1sj9 n ARG 6048N 0.00 0.00 0.02 -0.41 1.74 -1.26 -4.73 116.66 112.01 1sj9 n ARG 6048Ca 0.00 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.20 1sj9 n ARG 6048Cb 0.00 0.00 0.19 0.00 -1.02 0.00 0.00 32.46 31.63 1sj9 n ARG 6048CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1sj9 n GLU 6049N 0.00 0.10 -3.01 5.56 -0.58 -1.26 -4.80 120.64 116.64 1sj9 n GLU 6049Ca 0.00 0.02 -0.43 0.00 -0.42 0.00 0.00 57.16 56.32 1sj9 n GLU 6049Cb 0.00 -1.55 -0.06 0.00 -0.57 0.00 0.00 31.44 29.27 1sj9 n GLU 6049CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1sj9 s PHE 6050N -3.06 2.96 -0.35 -0.32 2.99 -1.26 -4.52 117.98 114.41 1sj9 s PHE 6050Ca 0.09 -0.15 -0.12 0.00 0.00 0.00 0.00 56.93 56.75 1sj9 s PHE 6050Cb 0.16 -3.69 0.01 0.00 0.00 0.00 0.00 43.02 39.49 1sj9 s PHE 6050CO 0.73 -1.09 0.22 0.99 -0.00 0.00 0.00 175.22 176.06 1sj9 s THR 6051N 3.21 4.87 -0.17 0.64 2.01 -1.26 -1.28 115.64 123.65 1sj9 s THR 6051Ca 0.24 -0.55 -0.15 0.00 0.31 0.00 0.00 61.69 61.55 1sj9 s THR 6051Cb -0.15 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 1sj9 s THR 6051CO 0.18 -0.11 0.34 -0.94 -0.69 0.00 0.00 174.62 173.40 1sj9 s SER 6052N 1.63 6.45 0.12 3.53 1.04 0.35 -2.76 113.70 124.05 1sj9 s SER 6052Ca 0.04 0.53 0.06 0.00 0.48 0.00 0.00 55.95 57.06 1sj9 s SER 6052Cb -0.18 -2.21 -0.04 0.00 0.10 0.00 0.00 66.02 63.70 1sj9 s SER 6052CO 0.08 0.03 -0.14 0.26 0.98 0.00 0.00 173.24 174.45 1sj9 s TRP 6053N 0.77 1.41 0.07 5.02 0.52 0.49 -0.43 118.94 126.78 1sj9 s TRP 6053Ca 0.18 -0.53 0.08 0.00 0.02 0.00 0.00 56.10 55.84 1sj9 s TRP 6053Cb -0.14 -0.74 -0.03 0.00 -1.15 0.00 0.00 33.47 31.41 1sj9 s TRP 6053CO 0.06 0.14 -0.21 0.50 0.02 0.00 0.00 176.95 177.46 1sj9 s ARG 6054N -2.53 1.33 0.00 4.98 3.52 0.25 -1.34 118.95 125.16 1sj9 s ARG 6054Ca 0.08 -1.04 0.00 0.00 -0.13 0.00 0.00 55.73 54.63 1sj9 s ARG 6054Cb -0.06 -1.51 0.00 0.00 -1.56 0.00 0.00 34.95 31.82 1sj9 s ARG 6054CO 0.03 0.37 0.00 0.00 -0.81 0.00 0.00 175.30 174.90 1sj9 n ALA 6055N 1.55 0.00 0.00 6.12 0.00 0.11 0.16 120.51 128.44 1sj9 n ALA 6055Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1sj9 n ALA 6055Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1sj9 n ALA 6055CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1sj9 n GLU 6056N 0.00 0.00 -3.58 0.00 2.13 -1.12 -2.71 120.64 115.37 1sj9 n GLU 6056Ca 0.00 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.45 1sj9 n GLU 6056Cb 0.00 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.65 1sj9 n GLU 6056CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1sj9 s LEU 6057N 0.00 4.37 -1.05 4.31 1.98 0.25 -3.20 118.68 125.34 1sj9 s LEU 6057Ca 0.00 0.71 -0.12 0.00 -2.89 0.00 0.00 54.13 51.83 1sj9 s LEU 6057Cb 0.00 -2.42 0.11 0.00 0.66 0.00 0.00 46.19 44.54 1sj9 s LEU 6057CO 0.00 0.25 0.35 0.47 -1.89 0.00 0.00 176.35 175.52 1sj9 n ASP 6058N 2.54 -1.91 0.00 3.68 8.00 -1.26 0.10 116.55 127.70 1sj9 n ASP 6058Ca -0.14 -0.41 0.00 0.00 0.71 0.00 0.00 54.79 54.95 1sj9 n ASP 6058Cb 0.53 -1.68 0.00 0.00 -0.02 0.00 0.00 41.12 39.94 1sj9 n ASP 6058CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sj9 n GLY 6059N -0.87 0.70 3.17 0.44 0.00 -1.26 -5.05 105.19 102.33 1sj9 n GLY 6059Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1sj9 n GLY 6059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sj9 s LYS 6060N -0.40 2.78 0.02 1.61 1.02 0.12 -5.08 119.74 119.80 1sj9 s LYS 6060Ca 0.00 -0.78 -0.33 0.00 0.02 0.00 0.00 55.97 54.88 1sj9 s LYS 6060Cb 0.00 -2.15 -0.11 0.00 -0.52 0.00 0.00 37.83 35.05 1sj9 s LYS 6060CO 0.00 0.12 1.85 0.00 -0.92 0.00 0.00 175.35 176.40 1sj9 n ALA 6061N 3.67 1.36 -2.82 5.17 0.00 -1.26 -0.58 120.51 126.04 1sj9 n ALA 6061Ca -0.20 0.30 -0.31 0.00 0.00 0.00 0.00 53.44 53.23 1sj9 n ALA 6061Cb 0.53 -2.54 -0.16 0.00 0.00 0.00 0.00 19.45 17.27 1sj9 n ALA 6061CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1sj9 s VAL 6062N 3.43 1.97 -0.02 0.00 1.01 -1.10 -4.17 120.40 121.53 1sj9 s VAL 6062Ca 0.88 -1.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 1sj9 s VAL 6062Cb -0.59 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 1sj9 s VAL 6062CO 0.45 0.55 0.06 -0.63 0.00 0.00 0.00 175.10 175.53 1sj9 s ILE 6063N -0.07 4.64 -0.12 2.22 -1.09 -0.89 0.04 121.20 125.92 1sj9 s ILE 6063Ca -0.06 -0.39 -0.01 0.00 -2.23 0.00 0.00 60.65 57.97 1sj9 s ILE 6063Cb -0.14 -3.09 0.03 0.00 -1.58 0.00 0.00 42.46 37.68 1sj9 s ILE 6063CO 0.04 0.40 -0.05 -0.69 -1.23 0.00 0.00 174.94 173.41 1sj9 s VAL 6064N -1.14 0.90 0.02 2.92 1.01 -0.45 -1.09 120.40 122.56 1sj9 s VAL 6064Ca 0.21 -0.31 -0.00 0.00 0.00 0.00 0.00 61.98 61.88 1sj9 s VAL 6064Cb -0.12 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 1sj9 s VAL 6064CO 0.12 0.26 -0.02 0.00 0.00 0.00 0.00 175.10 175.46 1sj9 s SER 6066N -1.32 6.86 -0.13 0.00 0.15 -1.11 -3.26 113.70 114.89 1sj9 s SER 6066Ca -0.14 1.35 0.11 0.00 0.70 0.00 0.00 55.95 57.96 1sj9 s SER 6066Cb -0.09 -2.40 -0.16 0.00 -1.71 0.00 0.00 66.02 61.66 1sj9 s SER 6066CO -0.01 -0.15 0.03 0.35 1.20 0.00 0.00 173.24 174.66 1sj9 n THR 6067N -0.09 0.90 0.00 6.45 -2.24 -1.23 -4.26 114.28 113.82 1sj9 n THR 6067Ca 0.02 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1sj9 n THR 6067Cb 0.53 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 1sj9 n THR 6067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sj9 n GLY 6068N 2.22 0.34 3.74 3.38 0.00 -0.94 -3.35 105.19 110.59 1sj9 n GLY 6068Ca -0.22 -2.05 -0.39 0.00 0.00 0.00 0.00 46.02 43.36 1sj9 n GLY 6068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sj9 s ILE 6069N -1.12 4.93 0.00 -0.61 -1.09 -1.26 -4.68 121.20 117.36 1sj9 s ILE 6069Ca 0.00 1.42 0.00 0.00 -2.23 0.00 0.00 60.65 59.84 1sj9 s ILE 6069Cb 0.00 -4.02 0.00 0.00 -1.58 0.00 0.00 42.46 36.86 1sj9 s ILE 6069CO 0.00 0.33 0.00 0.61 -1.23 0.00 0.00 174.94 174.65 1sj9 n GLY 6070N 2.74 -1.71 0.18 6.18 0.00 -1.26 -4.47 105.19 106.85 1sj9 n GLY 6070Ca -0.03 -1.50 -0.08 0.00 0.00 0.00 0.00 46.02 44.40 1sj9 n GLY 6070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1sj9 h GLY 6071N 0.00 0.60 -0.89 -0.02 0.00 -1.87 -2.98 103.07 97.91 1sj9 h GLY 6071Ca 0.00 -0.26 0.19 0.00 0.00 0.00 0.00 47.33 47.26 1sj9 h GLY 6071CO 0.00 0.25 -0.22 -0.56 0.00 0.00 0.00 176.54 176.01 1sj9 h PRO 6072N 0.53 0.00 -0.11 4.80 0.13 -1.96 -0.26 132.00 135.14 1sj9 h PRO 6072Ca 0.15 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.25 1sj9 h PRO 6072Cb 0.03 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.15 1sj9 h PRO 6072CO -0.03 0.00 -0.03 0.66 -0.23 0.00 0.00 178.00 178.37 1sj9 h SER 6073N 0.00 0.22 -0.33 1.44 4.64 -1.77 -3.24 113.55 114.50 1sj9 h SER 6073Ca 0.46 -0.38 0.04 0.00 -0.47 0.00 0.00 61.79 61.44 1sj9 h SER 6073Cb 0.72 -0.06 -0.07 0.00 -0.31 0.00 0.00 62.40 62.67 1sj9 h SER 6073CO -0.97 0.55 -0.52 0.74 -0.87 0.00 0.00 176.83 175.76 1sj9 h THR 6074N -0.12 0.00 -1.37 2.95 2.02 -0.95 -1.27 112.91 114.16 1sj9 h THR 6074Ca 0.03 0.00 0.40 0.00 0.77 0.00 0.00 66.41 67.60 1sj9 h THR 6074Cb 0.46 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.81 1sj9 h THR 6074CO 0.01 0.00 1.11 0.77 0.37 0.00 0.00 175.52 177.79 1sj9 h SER 6075N -0.41 0.00 0.11 4.18 4.64 -1.20 0.41 113.55 121.28 1sj9 h SER 6075Ca 0.06 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.19 1sj9 h SER 6075Cb 0.58 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.68 1sj9 h SER 6075CO -0.53 0.00 -0.89 0.40 -0.87 0.00 0.00 176.83 174.94 1sj9 h ILE 6076N 0.00 1.41 -0.24 0.95 2.04 -1.31 -2.55 117.51 117.81 1sj9 h ILE 6076Ca 0.65 -2.47 0.02 0.00 1.00 0.00 0.00 64.86 64.06 1sj9 h ILE 6076Cb 2.87 3.07 -0.02 0.00 -0.74 0.00 0.00 36.82 42.00 1sj9 h ILE 6076CO -0.01 0.69 0.10 0.00 0.00 0.00 0.00 178.15 178.93 1sj9 h ALA 6077N 0.02 0.28 0.69 1.87 0.00 -0.78 -0.88 119.26 120.45 1sj9 h ALA 6077Ca -0.17 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1sj9 h ALA 6077Cb 1.59 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 1sj9 h ALA 6077CO 0.10 -0.31 -0.42 0.28 0.00 0.00 0.00 179.25 178.90 1sj9 h VAL 6078N 0.22 0.15 -0.28 0.00 2.07 -1.36 -0.27 116.25 116.78 1sj9 h VAL 6078Ca 0.10 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.64 1sj9 h VAL 6078Cb 0.05 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 29.95 1sj9 h VAL 6078CO -0.09 0.00 0.13 -0.08 0.02 0.00 0.00 177.57 177.54 1sj9 h GLU 6079N -1.04 0.26 0.00 1.57 4.57 -1.44 0.19 114.58 118.69 1sj9 h GLU 6079Ca -0.09 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.04 1sj9 h GLU 6079Cb 0.84 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.36 1sj9 h GLU 6079CO 0.09 0.17 -0.19 0.93 -1.18 0.00 0.00 179.01 178.84 1sj9 h GLU 6080N 0.27 0.00 -0.16 1.92 5.08 -1.14 0.14 114.58 120.69 1sj9 h GLU 6080Ca 0.12 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.39 1sj9 h GLU 6080Cb 0.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1sj9 h GLU 6080CO -0.10 0.19 -0.27 -0.07 -1.00 0.00 0.00 179.01 177.77 1sj9 h LEU 6081N 0.00 0.51 -1.51 1.33 3.38 -0.37 -2.96 115.31 115.69 1sj9 h LEU 6081Ca -0.00 -0.54 -0.05 0.00 0.09 0.00 0.00 57.88 57.38 1sj9 h LEU 6081Cb 0.36 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1sj9 h LEU 6081CO 0.02 0.95 -0.23 0.00 0.09 0.00 0.00 178.44 179.27 1sj9 h ALA 6082N 0.58 1.25 0.00 1.53 0.00 -0.23 -0.91 119.26 121.47 1sj9 h ALA 6082Ca 0.01 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1sj9 h ALA 6082Cb 0.85 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1sj9 h ALA 6082CO 0.06 0.28 -0.45 1.96 0.00 0.00 0.00 179.25 181.11 1sj9 h GLN 6083N 0.00 0.00 -0.64 0.00 4.20 -0.68 -2.89 115.11 115.10 1sj9 h GLN 6083Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1sj9 h GLN 6083Cb 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1sj9 h GLN 6083CO 0.03 0.45 0.00 1.28 -0.67 0.00 0.00 178.83 179.92 1sj9 n LEU 6084N -3.71 4.20 0.00 1.46 4.77 -0.38 -4.93 117.00 118.41 1sj9 n LEU 6084Ca -0.01 -2.12 0.00 0.00 -0.03 0.00 0.00 56.01 53.85 1sj9 n LEU 6084Cb 0.52 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1sj9 n LEU 6084CO 0.39 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.71 1sj9 n GLY 6085N 0.88 0.95 3.72 -0.72 0.00 -1.09 -4.88 105.19 104.04 1sj9 n GLY 6085Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 1sj9 n GLY 6085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sj9 s ILE 6086N -2.00 5.24 -0.21 -0.61 1.01 -0.99 -4.32 121.20 119.33 1sj9 s ILE 6086Ca 0.00 0.75 0.12 0.00 0.00 0.00 0.00 60.65 61.52 1sj9 s ILE 6086Cb 0.00 -3.73 -0.17 0.00 0.01 0.00 0.00 42.46 38.57 1sj9 s ILE 6086CO 0.00 0.34 0.35 0.54 0.00 0.00 0.00 174.94 176.18 1sj9 n ARG 6087N 3.74 1.28 -5.08 2.79 5.12 -1.11 -4.08 116.66 119.32 1sj9 n ARG 6087Ca -0.09 -0.07 -0.29 0.00 -1.93 0.00 0.00 57.85 55.47 1sj9 n ARG 6087Cb 0.52 -1.22 -0.16 0.00 -1.16 0.00 0.00 32.46 30.44 1sj9 n ARG 6087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1sj9 s THR 6088N -2.61 1.77 -0.17 0.55 2.01 -1.20 0.49 115.64 116.47 1sj9 s THR 6088Ca -0.01 -0.92 -0.00 0.00 0.31 0.00 0.00 61.69 61.06 1sj9 s THR 6088Cb 0.08 -1.49 0.04 0.00 0.01 0.00 0.00 72.50 71.14 1sj9 s THR 6088CO 0.51 0.50 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.53 1sj9 s PHE 6089N -0.20 1.75 -0.39 4.92 0.40 -0.15 -0.05 117.98 124.26 1sj9 s PHE 6089Ca -0.00 -1.15 -0.17 0.00 -0.60 0.00 0.00 56.93 55.01 1sj9 s PHE 6089Cb -0.12 -1.33 0.01 0.00 0.51 0.00 0.00 43.02 42.09 1sj9 s PHE 6089CO 0.02 -0.64 0.44 -0.51 0.70 0.00 0.00 175.22 175.23 1sj9 s LEU 6090N 1.62 4.64 -0.07 -0.37 1.43 0.15 -1.17 118.68 124.90 1sj9 s LEU 6090Ca -0.00 -0.42 -0.18 0.00 -1.03 0.00 0.00 54.13 52.49 1sj9 s LEU 6090Cb -0.16 -2.42 -0.05 0.00 0.03 0.00 0.00 46.19 43.59 1sj9 s LEU 6090CO -0.08 -0.50 0.51 -0.60 0.23 0.00 0.00 176.35 175.91 1sj9 s ARG 6091N 2.18 4.28 -0.04 1.70 6.06 -1.16 0.96 118.95 132.92 1sj9 s ARG 6091Ca 0.14 0.53 -0.01 0.00 -2.50 0.00 0.00 55.73 53.89 1sj9 s ARG 6091Cb -0.16 -3.38 0.03 0.00 0.06 0.00 0.00 34.95 31.49 1sj9 s ARG 6091CO 0.13 0.29 0.07 -1.50 -2.50 0.00 0.00 175.30 171.80 1sj9 s ILE 6092N 0.16 -0.04 0.00 4.11 -1.16 -1.23 0.14 121.20 123.17 1sj9 s ILE 6092Ca 0.27 0.16 0.00 0.00 -0.51 0.00 0.00 60.65 60.58 1sj9 s ILE 6092Cb -0.16 -0.14 0.00 0.00 0.61 0.00 0.00 42.46 42.77 1sj9 s ILE 6092CO 0.13 0.07 0.00 0.61 -2.81 0.00 0.00 174.94 172.93 1sj9 n GLY 6093N 3.97 3.54 2.99 1.50 0.00 -1.01 -4.32 105.19 111.87 1sj9 n GLY 6093Ca -0.24 -0.29 -0.11 0.00 0.00 0.00 0.00 46.02 45.38 1sj9 n GLY 6093CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1sj9 s THR 6094N -0.44 0.04 0.22 2.61 -1.32 -1.26 -3.47 115.64 112.01 1sj9 s THR 6094Ca 0.00 -0.30 -0.12 0.00 -1.21 0.00 0.00 61.69 60.06 1sj9 s THR 6094Cb 0.00 -0.21 -0.00 0.00 -1.51 0.00 0.00 72.50 70.78 1sj9 s THR 6094CO 0.00 -0.16 0.44 0.28 -2.21 0.00 0.00 174.62 172.96 1sj9 s THR 6095N -0.50 0.02 0.06 5.08 -1.32 0.30 -4.86 115.64 114.42 1sj9 s THR 6095Ca -0.06 -1.32 -0.05 0.00 -1.21 0.00 0.00 61.69 59.05 1sj9 s THR 6095Cb -0.04 -2.04 -0.05 0.00 -1.51 0.00 0.00 72.50 68.87 1sj9 s THR 6095CO 0.00 -0.08 0.30 -0.83 -2.21 0.00 0.00 174.62 171.80 1sj9 s GLY 6096N -2.99 2.24 -0.11 6.08 0.00 -1.25 -2.76 107.32 108.53 1sj9 s GLY 6096Ca 0.20 -0.61 -0.03 0.00 0.00 0.00 0.00 44.72 44.27 1sj9 s GLY 6096CO 0.05 -0.48 0.02 0.00 0.00 0.00 0.00 173.10 172.69 1sj9 s ALA 6097N -1.45 3.36 -0.67 3.20 0.00 -1.23 -1.89 121.76 123.08 1sj9 s ALA 6097Ca 0.33 -0.78 0.22 0.00 0.00 0.00 0.00 51.96 51.73 1sj9 s ALA 6097Cb -0.13 -1.60 -0.15 0.00 0.00 0.00 0.00 23.12 21.24 1sj9 s ALA 6097CO 0.21 0.51 0.86 -0.89 0.00 0.00 0.00 175.76 176.45 1sj9 n ILE 6098N 2.40 0.04 -3.27 0.00 2.08 0.11 -3.10 119.36 117.62 1sj9 n ILE 6098Ca -0.18 -0.18 -0.38 0.00 0.56 0.00 0.00 62.75 62.56 1sj9 n ILE 6098Cb 0.54 0.52 -0.06 0.00 -0.75 0.00 0.00 39.64 39.89 1sj9 n ILE 6098CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 1sj9 s GLN 6099N -3.18 4.29 0.08 0.38 -1.52 -1.16 -4.89 119.66 113.66 1sj9 s GLN 6099Ca 0.03 0.59 0.25 0.00 -1.95 0.00 0.00 55.36 54.28 1sj9 s GLN 6099Cb 0.15 -3.37 0.98 0.00 -0.22 0.00 0.00 33.01 30.55 1sj9 s GLN 6099CO 0.85 0.30 1.78 -0.35 -0.25 0.00 0.00 175.29 177.62 1sj9 n PRO 6100N 3.07 0.09 0.00 2.91 -0.04 -1.26 -2.41 135.00 137.36 1sj9 n PRO 6100Ca -0.07 0.15 0.13 0.00 -0.04 0.00 0.00 63.50 63.66 1sj9 n PRO 6100Cb 0.51 -1.62 0.29 0.00 -0.04 0.00 0.00 33.50 32.64 1sj9 n PRO 6100CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1sj9 n HIS 6101N -1.78 0.00 -4.61 0.54 1.44 -1.26 -4.86 115.22 104.69 1sj9 n HIS 6101Ca 0.05 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.43 1sj9 n HIS 6101Cb 0.32 -0.01 -0.12 0.00 0.12 0.00 0.00 29.99 30.31 1sj9 n HIS 6101CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1sj9 s ILE 6102N -2.07 3.68 0.14 0.61 -1.09 -1.01 -5.13 121.20 116.33 1sj9 s ILE 6102Ca 0.31 -0.48 0.06 0.00 -2.23 0.00 0.00 60.65 58.31 1sj9 s ILE 6102Cb 0.20 -2.52 -0.04 0.00 -1.58 0.00 0.00 42.46 38.52 1sj9 s ILE 6102CO 0.35 0.58 -0.13 0.54 -1.23 0.00 0.00 174.94 175.05 1sj9 s ASN 6103N -0.58 2.01 0.24 3.58 4.22 -1.26 -4.82 114.94 118.32 1sj9 s ASN 6103Ca 0.09 -0.91 -0.31 0.00 -2.14 0.00 0.00 52.86 49.58 1sj9 s ASN 6103Cb -0.12 -0.06 -0.13 0.00 1.28 0.00 0.00 41.25 42.22 1sj9 s ASN 6103CO 0.02 -0.21 1.50 0.55 -2.04 0.00 0.00 177.10 176.92 1sj9 n VAL 6104N 0.15 0.73 0.00 3.54 3.14 -1.26 -1.60 118.33 123.03 1sj9 n VAL 6104Ca -0.13 -0.18 0.00 0.00 -2.96 0.00 0.00 64.34 61.07 1sj9 n VAL 6104Cb 0.59 -1.63 0.00 0.00 -1.06 0.00 0.00 33.84 31.74 1sj9 n VAL 6104CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1sj9 n GLY 6105N 2.51 1.03 3.67 7.55 0.00 0.39 -4.96 105.19 115.38 1sj9 n GLY 6105Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 1sj9 n GLY 6105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sj9 s ASP 6106N -2.05 4.79 -0.11 1.61 1.01 -0.63 -4.81 116.67 116.49 1sj9 s ASP 6106Ca 0.00 -0.40 -0.01 0.00 0.71 0.00 0.00 52.55 52.85 1sj9 s ASP 6106Cb 0.00 -1.03 -0.03 0.00 1.01 0.00 0.00 42.92 42.88 1sj9 s ASP 6106CO 0.00 0.08 -0.05 0.54 0.21 0.00 0.00 175.17 175.96 1sj9 s VAL 6107N -1.75 3.84 -0.01 -1.27 0.11 -0.94 -0.97 120.40 119.41 1sj9 s VAL 6107Ca 0.28 -0.41 0.02 0.00 -2.93 0.00 0.00 61.98 58.94 1sj9 s VAL 6107Cb -0.09 -2.62 -0.01 0.00 -1.53 0.00 0.00 36.38 32.13 1sj9 s VAL 6107CO 0.19 0.56 -0.07 -1.48 -3.33 0.00 0.00 175.10 170.97 1sj9 s LEU 6108N -0.33 2.01 -0.08 2.54 0.05 0.50 -0.50 118.68 122.87 1sj9 s LEU 6108Ca 0.05 -0.12 -0.00 0.00 0.05 0.00 0.00 54.13 54.11 1sj9 s LEU 6108Cb -0.12 -0.35 -0.03 0.00 -2.05 0.00 0.00 46.19 43.63 1sj9 s LEU 6108CO 0.02 0.08 -0.05 -0.69 -0.55 0.00 0.00 176.35 175.17 1sj9 s VAL 6109N -0.15 3.86 -0.37 1.48 1.01 0.54 -2.52 120.40 124.25 1sj9 s VAL 6109Ca 0.03 -0.41 -0.12 0.00 0.00 0.00 0.00 61.98 61.47 1sj9 s VAL 6109Cb -0.03 -2.60 0.02 0.00 0.00 0.00 0.00 36.38 33.77 1sj9 s VAL 6109CO -0.00 0.59 0.22 -0.89 0.00 0.00 0.00 175.10 175.02 1sj9 s THR 6110N -0.68 4.76 0.09 3.92 2.01 -1.09 -1.44 115.64 123.21 1sj9 s THR 6110Ca 0.10 -0.74 -0.19 0.00 0.31 0.00 0.00 61.69 61.17 1sj9 s THR 6110Cb -0.11 -3.63 -0.09 0.00 0.01 0.00 0.00 72.50 68.68 1sj9 s THR 6110CO 0.02 -0.21 1.57 0.74 -0.69 0.00 0.00 174.62 176.05 1sj9 h THR 6111N 5.78 1.21 -3.61 -0.82 2.02 -0.01 -3.43 112.91 114.06 1sj9 h THR 6111Ca -0.27 -0.70 -0.06 0.00 0.77 0.00 0.00 66.41 66.15 1sj9 h THR 6111Cb 1.11 1.26 -0.11 0.00 -1.74 0.00 0.00 68.15 68.67 1sj9 h THR 6111CO 0.67 0.22 -0.15 0.00 0.37 0.00 0.00 175.52 176.64 1sj9 s ALA 6112N -5.25 -0.44 0.26 6.16 0.00 -1.25 0.15 121.76 121.40 1sj9 s ALA 6112Ca -0.14 -0.59 0.11 0.00 0.00 0.00 0.00 51.96 51.34 1sj9 s ALA 6112Cb 0.07 0.87 -0.05 0.00 0.00 0.00 0.00 23.12 24.01 1sj9 s ALA 6112CO 0.72 -0.73 -0.18 -1.12 0.00 0.00 0.00 175.76 174.45 1sj9 s SER 6113N -2.93 3.30 -0.91 0.00 0.01 0.29 -2.16 113.70 111.30 1sj9 s SER 6113Ca 0.14 -1.03 -0.19 0.00 1.31 0.00 0.00 55.95 56.18 1sj9 s SER 6113Cb 0.01 -0.25 0.12 0.00 0.21 0.00 0.00 66.02 66.11 1sj9 s SER 6113CO -0.01 -0.03 1.12 -0.69 0.41 0.00 0.00 173.24 174.05 1sj9 s VAL 6114N -2.65 4.67 -0.33 3.43 1.01 0.39 -4.42 120.40 122.51 1sj9 s VAL 6114Ca 0.28 -1.46 -0.07 0.00 0.00 0.00 0.00 61.98 60.73 1sj9 s VAL 6114Cb -0.04 -4.78 -0.08 0.00 0.00 0.00 0.00 36.38 31.48 1sj9 s VAL 6114CO 0.13 -1.51 1.37 0.54 0.00 0.00 0.00 175.10 175.62 1sj9 n ARG 6115N 6.70 0.03 -0.81 2.72 1.74 -1.26 -3.38 116.66 122.40 1sj9 n ARG 6115Ca 0.22 -0.38 -0.05 0.00 -0.77 0.00 0.00 57.85 56.87 1sj9 n ARG 6115Cb 0.49 -1.69 0.20 0.00 -1.02 0.00 0.00 32.46 30.44 1sj9 n ARG 6115CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1sj9 n LEU 6116N 8.24 4.18 0.00 0.55 4.77 -0.90 -5.00 117.00 128.84 1sj9 n LEU 6116Ca 0.15 -3.77 0.00 0.00 -0.03 0.00 0.00 56.01 52.37 1sj9 n LEU 6116Cb 0.46 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1sj9 n LEU 6116CO 0.57 1.25 0.00 -0.90 -1.33 0.00 0.00 177.39 176.98 1sj9 n ASP 6117N -1.11 1.38 0.00 -1.43 5.75 -1.15 -3.97 116.55 116.01 1sj9 n ASP 6117Ca 0.34 -0.69 0.00 0.00 -0.01 0.00 0.00 54.79 54.43 1sj9 n ASP 6117Cb 1.05 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.14 1sj9 n ASP 6117CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sj9 n GLY 6118N 5.00 0.00 0.10 6.12 0.00 -1.26 -4.82 105.19 110.33 1sj9 n GLY 6118Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1sj9 n GLY 6118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sj9 h ALA 6119N 0.00 0.58 -0.23 4.61 0.00 -1.99 -3.26 119.26 118.96 1sj9 h ALA 6119Ca 0.00 -0.71 0.01 0.00 0.00 0.00 0.00 54.91 54.21 1sj9 h ALA 6119Cb 0.18 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1sj9 h ALA 6119CO 0.00 0.98 0.12 0.66 0.00 0.00 0.00 179.25 181.01 1sj9 h SER 6120N 0.00 0.19 0.00 0.00 4.64 -1.88 -2.56 113.55 113.94 1sj9 h SER 6120Ca -0.01 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sj9 h SER 6120Cb 1.50 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 1sj9 h SER 6120CO 0.10 0.14 0.24 0.18 -0.87 0.00 0.00 176.83 176.63 1sj9 n LEU 6121N -4.98 0.00 -1.54 5.97 4.32 -1.23 0.23 117.00 119.77 1sj9 n LEU 6121Ca -0.02 0.23 0.10 0.00 -0.02 0.00 0.00 56.01 56.29 1sj9 n LEU 6121Cb 0.05 -0.23 0.35 0.00 -1.62 0.00 0.00 43.42 41.98 1sj9 n LEU 6121CO 0.32 -0.23 0.81 1.41 -1.22 0.00 0.00 177.39 178.48 1sj9 n HIS 6122N -1.21 1.39 0.00 -1.77 8.25 -0.96 -4.40 115.22 116.51 1sj9 n HIS 6122Ca 0.00 -0.59 0.00 0.00 -0.26 0.00 0.00 57.72 56.87 1sj9 n HIS 6122Cb 0.24 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.15 1sj9 n HIS 6122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1sj9 n PHE 6123N 1.20 0.00 -3.81 4.41 3.01 0.13 -5.11 117.46 117.30 1sj9 n PHE 6123Ca 0.26 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.59 1sj9 n PHE 6123Cb 0.84 0.08 -0.10 0.00 -0.01 0.00 0.00 39.48 40.30 1sj9 n PHE 6123CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1sj9 s ALA 6124N -1.88 -0.58 1.00 4.37 0.00 -1.17 -5.04 121.76 118.46 1sj9 s ALA 6124Ca 0.00 0.32 -0.15 0.00 0.00 0.00 0.00 51.96 52.13 1sj9 s ALA 6124Cb 0.00 -0.09 0.05 0.00 0.00 0.00 0.00 23.12 23.07 1sj9 s ALA 6124CO 0.00 -0.19 0.21 -0.35 0.00 0.00 0.00 175.76 175.43 1sj9 n PRO 6125N 1.93 -0.66 0.05 0.00 -0.04 -1.26 -4.40 135.00 130.61 1sj9 n PRO 6125Ca -0.19 -0.16 0.05 0.00 -0.04 0.00 0.00 63.50 63.17 1sj9 n PRO 6125Cb 0.57 -1.76 0.25 0.00 -0.04 0.00 0.00 33.50 32.52 1sj9 n PRO 6125CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 1sj9 n MET 6126N -1.57 0.05 0.09 0.54 0.00 -1.26 -0.89 117.12 114.08 1sj9 n MET 6126Ca 0.04 0.45 -0.18 0.00 -0.00 0.00 0.00 57.70 58.02 1sj9 n MET 6126Cb 0.56 -1.63 -0.11 0.00 0.00 0.00 0.00 33.22 32.04 1sj9 n MET 6126CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 1sj9 h GLU 6127N 0.00 0.45 -6.55 2.12 3.07 -2.04 -3.44 114.58 108.19 1sj9 h GLU 6127Ca 0.00 -0.62 -0.53 0.00 -0.50 0.00 0.00 59.36 57.72 1sj9 h GLU 6127Cb 0.11 0.21 0.04 0.00 -0.84 0.00 0.00 28.75 28.27 1sj9 h GLU 6127CO 0.00 1.26 1.01 0.12 -1.40 0.00 0.00 179.01 180.00 1sj9 s PHE 6128N -2.95 2.59 0.50 4.33 2.19 -0.07 -4.97 117.98 119.60 1sj9 s PHE 6128Ca -0.07 0.28 -0.20 0.00 0.33 0.00 0.00 56.93 57.28 1sj9 s PHE 6128Cb 0.07 -4.07 -0.08 0.00 -1.31 0.00 0.00 43.02 37.63 1sj9 s PHE 6128CO 0.90 -4.20 1.06 -1.25 1.83 0.00 0.00 175.22 173.56 1sj9 s PRO 6129N 1.98 3.70 -1.02 10.12 0.04 -1.26 -4.88 135.00 143.68 1sj9 s PRO 6129Ca 0.75 1.42 -0.02 0.00 0.04 0.00 0.00 61.00 63.20 1sj9 s PRO 6129Cb -0.45 -2.08 0.31 0.00 0.04 0.00 0.00 34.50 32.32 1sj9 s PRO 6129CO 0.33 -0.53 1.50 0.00 0.04 0.00 0.00 177.00 178.34 1sj9 n ALA 6130N -1.04 5.32 -2.92 8.56 0.00 -1.26 -4.74 120.51 124.44 1sj9 n ALA 6130Ca 0.10 -4.75 -0.29 0.00 0.00 0.00 0.00 53.44 48.50 1sj9 n ALA 6130Cb 0.52 -2.14 -0.04 0.00 0.00 0.00 0.00 19.45 17.79 1sj9 n ALA 6130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1sj9 s VAL 6131N -3.23 5.35 0.20 0.00 0.11 -1.26 -0.55 120.40 121.02 1sj9 s VAL 6131Ca 0.34 -0.49 -0.13 0.00 -2.93 0.00 0.00 61.98 58.77 1sj9 s VAL 6131Cb 0.10 -3.68 -0.07 0.00 -1.53 0.00 0.00 36.38 31.20 1sj9 s VAL 6131CO 0.03 0.04 0.58 0.00 -3.33 0.00 0.00 175.10 172.42 1sj9 s ALA 6132N -1.62 3.54 0.17 1.54 0.00 0.40 -4.73 121.76 121.06 1sj9 s ALA 6132Ca 0.35 -0.15 -0.32 0.00 0.00 0.00 0.00 51.96 51.84 1sj9 s ALA 6132Cb -0.12 -2.53 -0.11 0.00 0.00 0.00 0.00 23.12 20.35 1sj9 s ALA 6132CO 0.28 0.46 1.78 0.34 0.00 0.00 0.00 175.76 178.62 1sj9 s ASP 6133N -2.03 6.39 0.08 0.00 2.15 -1.03 -4.85 116.67 117.37 1sj9 s ASP 6133Ca 0.44 2.84 -0.21 0.00 0.43 0.00 0.00 52.55 56.05 1sj9 s ASP 6133Cb -0.13 -2.59 -0.07 0.00 -0.30 0.00 0.00 42.92 39.84 1sj9 s ASP 6133CO 0.20 -0.99 1.34 0.15 -0.17 0.00 0.00 175.17 175.70 1sj9 h PHE 6134N 7.58 -1.08 -0.64 -5.34 3.57 -1.95 -0.04 116.94 119.04 1sj9 h PHE 6134Ca -0.44 0.05 0.13 0.00 3.53 0.00 0.00 57.97 61.24 1sj9 h PHE 6134Cb 1.21 0.51 -0.12 0.00 2.79 0.00 0.00 35.95 40.33 1sj9 h PHE 6134CO 0.71 -0.30 -0.20 0.00 -2.23 0.00 0.00 178.31 176.29 1sj9 h ALA 6135N -0.49 0.35 -0.05 2.41 0.00 -1.95 0.54 119.26 120.06 1sj9 h ALA 6135Ca 0.05 0.24 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 1sj9 h ALA 6135Cb 0.36 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1sj9 h ALA 6135CO -0.39 -0.47 -0.19 0.00 0.00 0.00 0.00 179.25 178.20 1sj9 n THR 6137N -4.27 0.36 0.03 0.00 -1.04 -0.02 -4.08 114.28 105.25 1sj9 n THR 6137Ca -0.02 -0.35 -0.13 0.00 -2.04 0.00 0.00 64.05 61.51 1sj9 n THR 6137Cb 0.28 -0.07 -0.14 0.00 -1.82 0.00 0.00 70.33 68.57 1sj9 n THR 6137CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1sj9 h THR 6138N 0.00 1.08 -0.04 12.58 2.02 0.24 -3.18 112.91 125.61 1sj9 h THR 6138Ca 0.00 -2.81 0.00 0.00 0.77 0.00 0.00 66.41 64.37 1sj9 h THR 6138Cb 0.82 2.63 0.00 0.00 -1.74 0.00 0.00 68.15 69.86 1sj9 h THR 6138CO 0.00 0.74 0.00 0.00 0.37 0.00 0.00 175.52 176.63 1sj9 n ALA 6139N -2.62 2.55 0.00 6.16 0.00 -0.72 -2.96 120.51 122.93 1sj9 n ALA 6139Ca -0.16 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1sj9 n ALA 6139Cb 1.03 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.48 1sj9 n ALA 6139CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sj9 n LEU 6140N -0.11 1.49 0.19 0.00 4.77 -1.24 -4.07 117.00 118.04 1sj9 n LEU 6140Ca 0.02 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.07 1sj9 n LEU 6140Cb 0.21 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.59 1sj9 n LEU 6140CO 0.02 0.25 0.69 -0.37 -1.33 0.00 0.00 177.39 176.65 1sj9 h VAL 6141N 0.00 0.60 0.00 4.08 -1.51 -1.53 -2.98 116.25 114.91 1sj9 h VAL 6141Ca 0.00 -1.48 0.00 0.00 -1.23 0.00 0.00 66.70 63.99 1sj9 h VAL 6141Cb 0.79 2.01 0.00 0.00 -2.13 0.00 0.00 31.29 31.96 1sj9 h VAL 6141CO 0.00 0.29 -1.21 -1.84 -1.23 0.00 0.00 177.57 173.58 1sj9 n GLU 6142N -3.31 0.61 0.00 5.19 0.28 -1.15 -3.62 120.64 118.63 1sj9 n GLU 6142Ca 0.01 0.06 0.15 0.00 -0.16 0.00 0.00 57.16 57.21 1sj9 n GLU 6142Cb 0.54 -1.76 0.66 0.00 1.43 0.00 0.00 31.44 32.31 1sj9 n GLU 6142CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1sj9 n ALA 6143N -2.19 2.64 0.22 -1.84 0.00 -1.14 -2.79 120.51 115.41 1sj9 n ALA 6143Ca -0.01 -0.36 0.08 0.00 0.00 0.00 0.00 53.44 53.16 1sj9 n ALA 6143Cb 0.55 -1.29 -0.12 0.00 0.00 0.00 0.00 19.45 18.60 1sj9 n ALA 6143CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sj9 n ALA 6144N -0.28 3.05 0.11 0.00 0.00 -1.14 -3.97 120.51 118.27 1sj9 n ALA 6144Ca 0.20 -0.41 -0.02 0.00 0.00 0.00 0.00 53.44 53.21 1sj9 n ALA 6144Cb 0.27 -0.57 0.02 0.00 0.00 0.00 0.00 19.45 19.17 1sj9 n ALA 6144CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1sj9 h LYS 6145N 0.00 0.00 0.00 0.00 1.57 -1.58 -1.24 116.57 115.32 1sj9 h LYS 6145Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1sj9 h LYS 6145Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1sj9 h LYS 6145CO 0.00 0.74 0.00 0.43 -0.57 0.00 0.00 179.45 180.05 1sj9 n SER 6146N -3.42 0.02 0.00 0.86 7.64 -1.21 -1.15 113.62 116.36 1sj9 n SER 6146Ca 0.00 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.39 1sj9 n SER 6146Cb 0.78 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 1sj9 n SER 6146CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1sj9 n ILE 6147N -1.52 0.38 -4.00 0.44 -5.35 -0.99 -5.04 119.36 103.27 1sj9 n ILE 6147Ca 0.02 -0.50 -0.38 0.00 -0.27 0.00 0.00 62.75 61.61 1sj9 n ILE 6147Cb 0.08 0.95 0.02 0.00 -1.74 0.00 0.00 39.64 38.94 1sj9 n ILE 6147CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1sj9 n GLY 6148N -0.19 -0.70 3.57 3.28 0.00 -0.30 -4.94 105.19 105.92 1sj9 n GLY 6148Ca 0.00 0.28 -0.26 0.00 0.00 0.00 0.00 46.02 46.04 1sj9 n GLY 6148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sj9 s ALA 6149N -3.74 2.95 -0.82 4.61 0.00 -1.09 -5.01 121.76 118.66 1sj9 s ALA 6149Ca 0.38 -1.50 -0.21 0.00 0.00 0.00 0.00 51.96 50.64 1sj9 s ALA 6149Cb -0.21 -0.72 -0.19 0.00 0.00 0.00 0.00 23.12 22.00 1sj9 s ALA 6149CO 0.79 0.44 2.10 2.41 0.00 0.00 0.00 175.76 181.50 1sj9 n THR 6150N -0.05 0.00 -3.21 0.00 -1.04 -1.26 -4.87 114.28 103.85 1sj9 n THR 6150Ca -0.10 -0.33 -0.39 0.00 -2.04 0.00 0.00 64.05 61.19 1sj9 n THR 6150Cb 0.56 -1.46 -0.07 0.00 -1.82 0.00 0.00 70.33 67.54 1sj9 n THR 6150CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1sj9 s THR 6151N 11.82 5.08 -0.12 12.58 2.01 -1.26 -2.22 115.64 143.53 1sj9 s THR 6151Ca 0.83 1.00 0.03 0.00 0.31 0.00 0.00 61.69 63.86 1sj9 s THR 6151Cb -0.19 -3.87 0.00 0.00 0.01 0.00 0.00 72.50 68.46 1sj9 s THR 6151CO 0.18 0.15 -0.23 -1.00 -0.69 0.00 0.00 174.62 173.03 1sj9 s HIS 6152N 1.80 2.57 -0.10 4.92 3.76 0.35 -5.00 115.29 123.59 1sj9 s HIS 6152Ca 0.25 -1.17 -0.01 0.00 -0.15 0.00 0.00 55.06 53.98 1sj9 s HIS 6152Cb -0.16 -1.74 0.03 0.00 1.11 0.00 0.00 32.58 31.83 1sj9 s HIS 6152CO 0.10 -0.50 -0.03 0.08 -0.85 0.00 0.00 174.74 173.53 1sj9 s VAL 6153N 0.57 0.70 0.00 -0.90 1.01 -1.26 -0.34 120.40 120.19 1sj9 s VAL 6153Ca -0.13 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.72 1sj9 s VAL 6153Cb -0.17 -0.82 0.00 0.00 0.00 0.00 0.00 36.38 35.39 1sj9 s VAL 6153CO 0.04 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.02 1sj9 n GLY 6154N 5.04 3.33 3.96 4.51 0.00 -0.52 -4.89 105.19 116.61 1sj9 n GLY 6154Ca -0.10 -0.28 -0.20 0.00 0.00 0.00 0.00 46.02 45.44 1sj9 n GLY 6154CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sj9 s VAL 6155N -0.45 4.45 0.36 1.61 -7.23 -1.25 0.75 120.40 118.63 1sj9 s VAL 6155Ca 0.00 -1.06 0.06 0.00 -1.81 0.00 0.00 61.98 59.17 1sj9 s VAL 6155Cb 0.00 -3.54 -0.07 0.00 0.56 0.00 0.00 36.38 33.33 1sj9 s VAL 6155CO 0.00 -0.23 0.02 -0.89 -0.31 0.00 0.00 175.10 173.69 1sj9 s THR 6156N -2.12 1.64 -0.37 5.32 2.01 -0.92 -2.19 115.64 119.01 1sj9 s THR 6156Ca 0.40 -2.03 0.00 0.00 0.31 0.00 0.00 61.69 60.38 1sj9 s THR 6156Cb -0.09 -2.83 0.10 0.00 0.01 0.00 0.00 72.50 69.69 1sj9 s THR 6156CO 0.29 -0.05 0.12 0.00 -0.69 0.00 0.00 174.62 174.30 1sj9 s ALA 6157N -2.98 3.01 -0.33 7.40 0.00 -0.51 0.15 121.76 128.49 1sj9 s ALA 6157Ca 0.35 -2.48 -0.25 0.00 0.00 0.00 0.00 51.96 49.58 1sj9 s ALA 6157Cb 0.08 -2.17 0.01 0.00 0.00 0.00 0.00 23.12 21.04 1sj9 s ALA 6157CO 0.16 -1.71 0.87 -1.12 0.00 0.00 0.00 175.76 173.96 1sj9 s SER 6158N 1.37 6.70 0.36 0.00 0.01 -1.22 -1.22 113.70 119.71 1sj9 s SER 6158Ca 0.08 0.66 0.05 0.00 1.31 0.00 0.00 55.95 58.05 1sj9 s SER 6158Cb -0.21 -2.44 0.05 0.00 0.21 0.00 0.00 66.02 63.62 1sj9 s SER 6158CO -0.06 -0.74 0.39 -0.24 0.41 0.00 0.00 173.24 173.00 1sj9 n SER 6159N 6.49 1.73 -0.01 2.44 2.88 0.28 -2.11 113.62 125.32 1sj9 n SER 6159Ca 0.06 -2.09 0.05 0.00 -1.33 0.00 0.00 58.87 55.55 1sj9 n SER 6159Cb 0.48 -0.15 -0.09 0.00 -0.75 0.00 0.00 64.21 63.70 1sj9 n SER 6159CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1sj9 n ASP 6160N -2.23 2.29 -4.16 -3.46 10.43 -1.26 -4.44 116.55 113.72 1sj9 n ASP 6160Ca 0.05 0.00 -0.10 0.00 2.57 0.00 0.00 54.79 57.30 1sj9 n ASP 6160Cb 0.39 1.45 -0.10 0.00 1.84 0.00 0.00 41.12 44.70 1sj9 n ASP 6160CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1sj9 s THR 6161N -2.76 0.34 0.00 -3.53 -4.23 -1.26 -4.93 115.64 99.27 1sj9 s THR 6161Ca -0.04 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 1sj9 s THR 6161Cb 0.07 -1.91 0.00 0.00 1.34 0.00 0.00 72.50 72.00 1sj9 s THR 6161CO 0.49 -0.63 0.03 0.49 -0.54 0.00 0.00 174.62 174.46 1sj9 n PHE 6162N -0.08 0.00 0.07 3.99 0.99 -1.26 -4.06 117.46 117.11 1sj9 n PHE 6162Ca -0.08 0.00 -0.18 0.00 -0.00 0.00 0.00 57.45 57.19 1sj9 n PHE 6162Cb 0.63 0.00 -0.09 0.00 -1.00 0.00 0.00 39.48 39.01 1sj9 n PHE 6162CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.76 178.64 1sj9 h TYR 6163N 0.00 0.83 0.00 1.38 -1.99 -1.96 -3.26 116.97 111.97 1sj9 h TYR 6163Ca 0.00 -0.49 0.00 0.00 2.00 0.00 0.00 58.73 60.24 1sj9 h TYR 6163Cb 0.00 -0.08 0.00 0.00 2.00 0.00 0.00 36.73 38.65 1sj9 h TYR 6163CO 0.00 1.33 0.00 -0.35 -0.00 0.00 0.00 178.16 179.14 1sj9 n PRO 6164N -3.76 0.72 0.00 4.88 -0.04 -1.26 0.15 135.00 135.68 1sj9 n PRO 6164Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1sj9 n PRO 6164Cb 0.91 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 33.14 1sj9 n PRO 6164CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sj9 n GLY 6165N 0.31 0.25 0.00 0.55 0.00 -1.23 -4.73 105.19 100.33 1sj9 n GLY 6165Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1sj9 n GLY 6165CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sj9 n GLN 6166N -0.18 3.22 -1.24 1.61 10.64 -1.02 -4.87 117.38 125.55 1sj9 n GLN 6166Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1sj9 n GLN 6166Cb 0.16 -0.27 0.00 0.00 -0.86 0.00 0.00 30.24 29.27 1sj9 n GLN 6166CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 1sj9 n GLU 6167N 0.00 0.00 -3.73 2.61 4.07 0.12 -3.95 120.64 119.76 1sj9 n GLU 6167Ca 0.00 0.43 -0.30 0.00 -0.06 0.00 0.00 57.16 57.23 1sj9 n GLU 6167Cb 0.00 -0.80 -0.13 0.00 -0.06 0.00 0.00 31.44 30.44 1sj9 n GLU 6167CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 1sj9 s ARG 6168N -0.99 1.27 -0.83 5.31 3.52 -1.20 -4.89 118.95 121.14 1sj9 s ARG 6168Ca 0.00 -1.96 -0.22 0.00 -0.13 0.00 0.00 55.73 53.43 1sj9 s ARG 6168Cb 0.00 -2.36 -0.19 0.00 -1.56 0.00 0.00 34.95 30.85 1sj9 s ARG 6168CO 0.00 -1.14 2.36 0.66 -0.81 0.00 0.00 175.30 176.37 1sj9 n TYR 6169N 3.64 0.88 0.00 5.12 4.01 -1.26 -3.03 117.16 126.52 1sj9 n TYR 6169Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 1sj9 n TYR 6169Cb 0.35 -2.10 0.00 0.00 -0.31 0.00 0.00 39.34 37.28 1sj9 n TYR 6169CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1sj9 n ASP 6170N 15.13 0.00 -2.80 7.72 10.43 -1.26 -5.15 116.55 140.62 1sj9 n ASP 6170Ca 0.52 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.88 1sj9 n ASP 6170Cb 0.36 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.32 1sj9 n ASP 6170CO 0.00 0.00 0.00 1.07 -1.07 0.00 0.00 177.20 177.20 1sj9 n THR 6171N 0.00 0.00 0.01 -3.53 5.66 -1.17 -5.00 114.28 110.26 1sj9 n THR 6171Ca 0.00 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.95 1sj9 n THR 6171Cb 0.00 -0.55 -0.04 0.00 -1.55 0.00 0.00 70.33 68.19 1sj9 n THR 6171CO 0.00 0.00 0.00 0.22 -3.05 0.00 0.00 175.07 172.24 1sj9 h TYR 6172N -1.65 -0.14 0.00 1.09 5.03 -2.01 -3.33 116.97 115.96 1sj9 h TYR 6172Ca 0.00 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1sj9 h TYR 6172Cb 0.00 0.05 0.00 0.00 1.55 0.00 0.00 36.73 38.33 1sj9 h TYR 6172CO 0.00 0.09 0.23 0.43 -1.32 0.00 0.00 178.16 177.59 1sj9 n SER 6173N -4.86 0.27 0.00 -2.11 7.64 -1.26 -4.90 113.62 108.40 1sj9 n SER 6173Ca -0.04 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.36 1sj9 n SER 6173Cb 0.15 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 1sj9 n SER 6173CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sj9 n GLY 6174N -1.29 2.11 0.00 0.23 0.00 -1.25 -4.35 105.19 100.64 1sj9 n GLY 6174Ca -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1sj9 n GLY 6174CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sj9 n ARG 6175N 12.55 0.00 0.00 1.61 3.00 -1.26 -4.69 116.66 127.87 1sj9 n ARG 6175Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1sj9 n ARG 6175Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 32.46 32.36 1sj9 n ARG 6175CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 1sj9 n VAL 6176N 0.00 0.00 -0.59 1.55 3.14 -1.26 -4.82 118.33 116.35 1sj9 n VAL 6176Ca 0.00 0.00 -0.06 0.00 -2.96 0.00 0.00 64.34 61.32 1sj9 n VAL 6176Cb 0.00 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 32.70 1sj9 n VAL 6176CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 1sj9 n VAL 6177N -0.09 1.86 -3.08 1.55 3.14 -1.26 -4.66 118.33 115.79 1sj9 n VAL 6177Ca 0.00 -0.84 -0.17 0.00 -2.96 0.00 0.00 64.34 60.38 1sj9 n VAL 6177Cb 0.00 -1.70 0.02 0.00 -1.06 0.00 0.00 33.84 31.09 1sj9 n VAL 6177CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1sj9 n ARG 6178N 2.38 -2.20 0.00 1.45 1.74 -1.26 -4.87 116.66 113.91 1sj9 n ARG 6178Ca 0.21 1.87 0.00 0.00 -0.77 0.00 0.00 57.85 59.16 1sj9 n ARG 6178Cb 0.55 -4.06 0.00 0.00 -1.02 0.00 0.00 32.46 27.93 1sj9 n ARG 6178CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1sj9 n ARG 6179N -0.01 0.00 -1.27 5.56 0.63 -1.26 -4.98 116.66 115.33 1sj9 n ARG 6179Ca 0.03 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.74 1sj9 n ARG 6179Cb 0.48 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 33.29 1sj9 n ARG 6179CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1sj9 n PHE 6180N -2.35 0.99 -1.59 -0.14 3.01 -1.26 -4.41 117.46 111.71 1sj9 n PHE 6180Ca 0.00 -1.94 -0.14 0.00 1.01 0.00 0.00 57.45 56.38 1sj9 n PHE 6180Cb 0.00 -1.67 0.14 0.00 -0.01 0.00 0.00 39.48 37.94 1sj9 n PHE 6180CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1sj9 n LYS 6181N 2.08 2.42 0.00 -1.08 4.81 -1.26 -4.08 118.16 121.05 1sj9 n LYS 6181Ca 0.51 -3.47 0.00 0.00 -0.87 0.00 0.00 58.31 54.48 1sj9 n LYS 6181Cb 0.67 -2.01 0.00 0.00 0.02 0.00 0.00 35.03 33.71 1sj9 n LYS 6181CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1sj9 n GLY 6182N -0.99 0.64 0.14 3.14 0.00 -1.26 -5.05 105.19 101.80 1sj9 n GLY 6182Ca 0.41 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.36 1sj9 n GLY 6182CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1sj9 h SER 6183N 0.00 -0.22 -0.91 1.61 0.02 -1.77 -0.03 113.55 112.25 1sj9 h SER 6183Ca 0.00 0.08 0.26 0.00 -0.84 0.00 0.00 61.79 61.30 1sj9 h SER 6183Cb 0.00 0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.67 1sj9 h SER 6183CO 0.00 -0.07 0.72 -0.03 -1.14 0.00 0.00 176.83 176.31 1sj9 h MET 6184N 0.03 0.00 0.00 3.45 1.85 -1.94 1.69 114.93 120.02 1sj9 h MET 6184Ca 0.15 0.00 -0.10 0.00 -0.61 0.00 0.00 59.70 59.14 1sj9 h MET 6184Cb 0.22 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.23 1sj9 h MET 6184CO -0.29 0.00 -0.58 0.93 -0.40 0.00 0.00 176.91 176.57 1sj9 h GLU 6185N 0.00 0.00 -0.02 0.39 5.08 -1.36 -2.80 114.58 115.87 1sj9 h GLU 6185Ca 0.43 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.70 1sj9 h GLU 6185Cb 1.87 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.13 1sj9 h GLU 6185CO -0.00 0.42 -0.36 1.49 -1.00 0.00 0.00 179.01 179.55 1sj9 h GLU 6186N 0.00 0.29 0.00 2.33 4.57 0.29 -3.22 114.58 118.83 1sj9 h GLU 6186Ca -0.02 -0.27 -0.00 0.00 -1.18 0.00 0.00 59.36 57.88 1sj9 h GLU 6186Cb 1.36 0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 30.02 1sj9 h GLU 6186CO 0.06 0.96 -0.01 -1.49 -1.18 0.00 0.00 179.01 177.34 1sj9 h TRP 6187N -0.28 0.00 -0.17 0.92 -0.00 -0.43 0.22 115.95 116.21 1sj9 h TRP 6187Ca -0.04 0.00 -0.06 0.00 -0.00 0.00 0.00 58.89 58.80 1sj9 h TRP 6187Cb 1.06 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 30.22 1sj9 h TRP 6187CO 0.15 0.01 -0.11 1.96 -0.00 0.00 0.00 178.44 180.46 1sj9 h GLN 6188N 0.00 0.37 -0.43 0.49 1.08 -1.51 0.95 115.11 116.06 1sj9 h GLN 6188Ca -0.00 -0.17 -0.04 0.00 -1.45 0.00 0.00 58.65 56.98 1sj9 h GLN 6188Cb 0.04 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 1sj9 h GLN 6188CO 0.00 0.70 0.09 0.00 -0.95 0.00 0.00 178.83 178.68 1sj9 h ALA 6189N 0.66 1.35 0.00 3.87 0.00 -1.01 -1.20 119.26 122.93 1sj9 h ALA 6189Ca 0.03 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1sj9 h ALA 6189Cb 0.61 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1sj9 h ALA 6189CO 0.03 0.46 -0.02 0.52 0.00 0.00 0.00 179.25 180.24 1sj9 h MET 6190N 0.63 0.00 0.00 0.00 2.86 -0.42 -3.46 114.93 114.54 1sj9 h MET 6190Ca 0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1sj9 h MET 6190Cb 0.26 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.92 1sj9 h MET 6190CO -0.00 0.02 0.00 0.41 1.06 0.00 0.00 176.91 178.40 1sj9 n GLY 6191N 0.06 0.52 3.72 8.32 0.00 -0.45 -5.04 105.19 112.32 1sj9 n GLY 6191Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1sj9 n GLY 6191CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1sj9 n VAL 6192N -2.00 0.93 -0.05 1.61 0.31 0.23 -4.77 118.33 114.60 1sj9 n VAL 6192Ca 0.00 -0.23 -0.20 0.00 -0.01 0.00 0.00 64.34 63.90 1sj9 n VAL 6192Cb 0.00 -1.79 -0.13 0.00 -0.91 0.00 0.00 33.84 31.01 1sj9 n VAL 6192CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sj9 h MET 6193N 4.72 0.10 -5.18 5.55 -0.00 -1.73 -3.42 114.93 114.98 1sj9 h MET 6193Ca -0.46 -0.18 -0.51 0.00 -0.00 0.00 0.00 59.70 58.55 1sj9 h MET 6193Cb 1.24 0.07 -0.14 0.00 -0.00 0.00 0.00 31.60 32.77 1sj9 h MET 6193CO 0.79 1.08 -0.57 0.54 -0.00 0.00 0.00 176.91 178.75 1sj9 s ASN 6194N -6.79 2.64 -0.03 -0.10 4.22 -1.26 0.07 114.94 113.69 1sj9 s ASN 6194Ca -0.23 -1.48 0.07 0.00 -2.14 0.00 0.00 52.86 49.08 1sj9 s ASN 6194Cb 0.03 0.13 -0.02 0.00 1.28 0.00 0.00 41.25 42.67 1sj9 s ASN 6194CO 0.69 -0.72 -0.24 -0.47 -2.04 0.00 0.00 177.10 174.32 1sj9 s TYR 6195N -3.23 2.21 0.00 1.54 6.14 -0.79 -1.43 117.35 121.79 1sj9 s TYR 6195Ca 0.31 -0.46 0.00 0.00 0.64 0.00 0.00 57.07 57.55 1sj9 s TYR 6195Cb 0.06 -1.43 0.00 0.00 0.42 0.00 0.00 41.96 41.01 1sj9 s TYR 6195CO 0.14 -0.07 0.00 -0.85 0.64 0.00 0.00 175.55 175.42 1sj9 n GLU 6196N 2.57 0.00 0.05 4.97 -0.00 -0.35 -3.80 120.64 124.07 1sj9 n GLU 6196Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.00 1sj9 n GLU 6196Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.96 1sj9 n GLU 6196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1sj9 n MET 6197N 0.00 0.00 -0.24 3.44 2.81 -1.26 0.99 117.12 122.86 1sj9 n MET 6197Ca 0.00 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.85 1sj9 n MET 6197Cb 0.00 -0.44 0.13 0.00 -0.71 0.00 0.00 33.22 32.20 1sj9 n MET 6197CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1sj9 h GLU 6198N 0.00 1.06 -0.83 0.03 3.07 -1.87 -3.32 114.58 112.72 1sj9 h GLU 6198Ca 0.00 -0.18 0.16 0.00 -0.50 0.00 0.00 59.36 58.85 1sj9 h GLU 6198Cb 0.00 -0.18 -0.16 0.00 -0.84 0.00 0.00 28.75 27.57 1sj9 h GLU 6198CO 0.00 0.86 -0.21 -1.13 -1.40 0.00 0.00 179.01 177.12 1sj9 n SER 6199N -4.30 -0.31 -0.02 1.42 3.41 -1.26 -0.65 113.62 111.90 1sj9 n SER 6199Ca 0.07 1.43 -0.11 0.00 -0.26 0.00 0.00 58.87 60.00 1sj9 n SER 6199Cb 0.17 -0.43 -0.07 0.00 -0.26 0.00 0.00 64.21 63.62 1sj9 n SER 6199CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sj9 h ALA 6200N 1.63 -0.74 -0.43 7.33 0.00 -1.91 0.59 119.26 125.74 1sj9 h ALA 6200Ca 0.39 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.28 1sj9 h ALA 6200Cb 0.60 0.91 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 1sj9 h ALA 6200CO -0.85 -0.89 0.27 1.15 0.00 0.00 0.00 179.25 178.93 1sj9 h THR 6201N -0.39 1.08 -0.38 0.00 2.02 -1.45 -2.37 112.91 111.43 1sj9 h THR 6201Ca 0.03 -0.19 0.06 0.00 0.77 0.00 0.00 66.41 67.08 1sj9 h THR 6201Cb 0.47 0.49 -0.06 0.00 -1.74 0.00 0.00 68.15 67.31 1sj9 h THR 6201CO -0.33 0.10 0.04 0.25 0.37 0.00 0.00 175.52 175.95 1sj9 h LEU 6202N 0.55 -0.07 0.39 2.58 5.85 0.10 0.07 115.31 124.78 1sj9 h LEU 6202Ca 0.16 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 1sj9 h LEU 6202Cb -0.03 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1sj9 h LEU 6202CO -0.05 0.00 -0.19 -0.07 -0.34 0.00 0.00 178.44 177.79 1sj9 h LEU 6203N 0.15 -0.44 -0.46 2.25 3.38 0.22 -2.89 115.31 117.53 1sj9 h LEU 6203Ca 0.18 -0.13 0.09 0.00 0.09 0.00 0.00 57.88 58.12 1sj9 h LEU 6203Cb 0.24 0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.01 1sj9 h LEU 6203CO -0.27 -0.07 -0.11 0.74 0.09 0.00 0.00 178.44 178.82 1sj9 h THR 6204N -0.88 0.54 0.00 0.22 2.02 -1.34 1.90 112.91 115.37 1sj9 h THR 6204Ca -0.05 -0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.03 1sj9 h THR 6204Cb 0.55 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 1sj9 h THR 6204CO 0.09 0.00 -0.45 0.00 0.37 0.00 0.00 175.52 175.53 1sj9 h MET 6205N 0.01 0.00 0.00 6.66 -0.00 -1.09 -1.99 114.93 118.51 1sj9 h MET 6205Ca 0.22 0.00 -0.08 0.00 -0.00 0.00 0.00 59.70 59.84 1sj9 h MET 6205Cb 0.34 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.93 1sj9 h MET 6205CO -0.47 0.45 -0.50 0.00 -0.00 0.00 0.00 176.91 176.38 1sj9 h ALA 6207N -0.48 2.62 -0.01 0.00 0.00 0.29 -0.63 119.26 121.04 1sj9 h ALA 6207Ca -0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1sj9 h ALA 6207Cb 0.87 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1sj9 h ALA 6207CO -0.07 -0.85 -0.49 -1.13 0.00 0.00 0.00 179.25 176.71 1sj9 n SER 6208N -4.35 1.75 -0.04 0.00 3.41 -0.75 -4.34 113.62 109.31 1sj9 n SER 6208Ca 0.16 -1.35 0.00 0.00 -0.26 0.00 0.00 58.87 57.43 1sj9 n SER 6208Cb 0.81 0.46 0.01 0.00 -0.26 0.00 0.00 64.21 65.23 1sj9 n SER 6208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sj9 n GLN 6209N -0.28 1.42 -2.47 4.33 6.02 -0.31 -5.01 117.38 121.08 1sj9 n GLN 6209Ca 0.09 -1.14 -0.01 0.00 -0.01 0.00 0.00 57.00 55.94 1sj9 n GLN 6209Cb 0.44 -1.02 0.00 0.00 1.02 0.00 0.00 30.24 30.68 1sj9 n GLN 6209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sj9 n GLY 6210N -0.24 0.84 3.05 1.08 0.00 -0.79 -5.03 105.19 104.10 1sj9 n GLY 6210Ca 0.01 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 1sj9 n GLY 6210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sj9 s LEU 6211N -1.09 2.37 0.17 0.99 1.02 -0.83 -5.01 118.68 116.30 1sj9 s LEU 6211Ca 0.02 -0.85 -0.32 0.00 0.02 0.00 0.00 54.13 53.00 1sj9 s LEU 6211Cb -0.01 -1.37 -0.12 0.00 0.02 0.00 0.00 46.19 44.72 1sj9 s LEU 6211CO 0.02 -0.09 1.76 0.54 0.02 0.00 0.00 176.35 178.60 1sj9 n ARG 6212N 4.63 2.75 -4.10 1.70 1.74 0.18 -4.17 116.66 119.38 1sj9 n ARG 6212Ca -0.17 0.99 -0.13 0.00 -0.77 0.00 0.00 57.85 57.78 1sj9 n ARG 6212Cb 0.47 -2.85 -0.11 0.00 -1.02 0.00 0.00 32.46 28.95 1sj9 n ARG 6212CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1sj9 s ALA 6213N 1.71 0.75 0.16 7.54 0.00 -1.26 -0.98 121.76 129.69 1sj9 s ALA 6213Ca 0.78 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.80 1sj9 s ALA 6213Cb -0.51 0.06 -0.00 0.00 0.00 0.00 0.00 23.12 22.67 1sj9 s ALA 6213CO 0.34 -0.06 0.20 0.41 0.00 0.00 0.00 175.76 176.66 1sj9 n GLY 6214N 1.04 2.94 3.21 0.00 0.00 -0.32 -2.47 105.19 109.59 1sj9 n GLY 6214Ca -0.20 -1.59 0.04 0.00 0.00 0.00 0.00 46.02 44.28 1sj9 n GLY 6214CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1sj9 s MET 6215N -2.47 0.22 0.20 1.61 -1.94 -1.25 -3.00 119.30 112.68 1sj9 s MET 6215Ca 0.16 0.43 0.10 0.00 -1.71 0.00 0.00 55.69 54.66 1sj9 s MET 6215Cb 0.00 0.25 -0.04 0.00 2.01 0.00 0.00 34.83 37.04 1sj9 s MET 6215CO 0.11 -0.19 -0.19 0.54 -0.01 0.00 0.00 175.02 175.28 1sj9 s VAL 6216N 2.77 2.04 -0.13 -6.03 0.11 0.37 -2.68 120.40 116.85 1sj9 s VAL 6216Ca -0.00 -2.11 -0.33 0.00 -2.93 0.00 0.00 61.98 56.61 1sj9 s VAL 6216Cb -0.09 -2.04 0.13 0.00 -1.53 0.00 0.00 36.38 32.85 1sj9 s VAL 6216CO -0.13 -0.36 1.14 0.00 -3.33 0.00 0.00 175.10 172.42 1sj9 s ALA 6217N -2.28 -2.02 0.29 1.54 0.00 -1.05 -2.41 121.76 115.83 1sj9 s ALA 6217Ca 0.21 1.37 0.03 0.00 0.00 0.00 0.00 51.96 53.58 1sj9 s ALA 6217Cb -0.05 0.05 -0.06 0.00 0.00 0.00 0.00 23.12 23.06 1sj9 s ALA 6217CO 0.09 -0.66 0.05 0.20 0.00 0.00 0.00 175.76 175.44 1sj9 s GLY 6218N -2.32 1.91 -0.36 0.00 0.00 -1.23 -0.37 107.32 104.95 1sj9 s GLY 6218Ca 0.09 -1.97 -0.20 0.00 0.00 0.00 0.00 44.72 42.64 1sj9 s GLY 6218CO -0.05 -1.75 0.61 0.14 0.00 0.00 0.00 173.10 172.04 1sj9 s VAL 6219N -3.38 4.91 -0.36 1.40 1.01 -0.14 0.11 120.40 123.95 1sj9 s VAL 6219Ca 0.35 0.48 0.08 0.00 0.00 0.00 0.00 61.98 62.89 1sj9 s VAL 6219Cb 0.08 -4.06 0.65 0.00 0.00 0.00 0.00 36.38 33.04 1sj9 s VAL 6219CO 0.14 -0.32 1.75 2.30 0.00 0.00 0.00 175.10 178.97 1sj9 n ILE 6220N 5.57 2.91 0.00 2.22 -5.35 -1.11 -0.46 119.36 123.15 1sj9 n ILE 6220Ca -0.02 -2.02 0.00 0.00 -0.27 0.00 0.00 62.75 60.44 1sj9 n ILE 6220Cb 0.49 -0.39 0.00 0.00 -1.74 0.00 0.00 39.64 38.00 1sj9 n ILE 6220CO 0.00 0.00 0.00 0.55 -1.76 0.00 0.00 176.55 175.34 1sj9 n VAL 6221N -0.79 0.00 -0.82 7.28 3.14 -1.26 -3.00 118.33 122.88 1sj9 n VAL 6221Ca 0.45 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.73 1sj9 n VAL 6221Cb 1.39 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 34.14 1sj9 n VAL 6221CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1sj9 n ASN 6222N 0.00 5.81 0.00 6.55 3.02 -1.26 -3.51 115.26 125.87 1sj9 n ASN 6222Ca 0.00 -2.72 0.00 0.00 -0.03 0.00 0.00 54.58 51.83 1sj9 n ASN 6222Cb 0.00 -1.17 0.00 0.00 -0.61 0.00 0.00 39.78 38.00 1sj9 n ASN 6222CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1sj9 n ARG 6223N 1.25 0.00 0.11 3.52 0.00 -1.25 0.28 116.66 120.57 1sj9 n ARG 6223Ca 0.22 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.96 1sj9 n ARG 6223Cb 0.60 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.99 1sj9 n ARG 6223CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.63 179.42 1sj9 h THR 6224N 0.00 0.62 -0.41 5.15 1.35 -1.88 -3.37 112.91 114.37 1sj9 h THR 6224Ca 0.00 -0.87 -0.18 0.00 -0.55 0.00 0.00 66.41 64.81 1sj9 h THR 6224Cb 0.00 1.00 -0.02 0.00 -1.73 0.00 0.00 68.15 67.40 1sj9 h THR 6224CO 0.00 0.15 0.53 -1.58 -0.25 0.00 0.00 175.52 174.36 1sj9 s GLN 6225N -3.75 1.99 0.00 4.72 -0.44 0.82 -4.73 119.66 118.27 1sj9 s GLN 6225Ca -0.12 -0.46 0.00 0.00 -2.50 0.00 0.00 55.36 52.28 1sj9 s GLN 6225Cb 0.01 -5.05 0.00 0.00 -1.64 0.00 0.00 33.01 26.33 1sj9 s GLN 6225CO 0.45 -4.34 0.00 1.04 0.50 0.00 0.00 175.29 172.94 1sj9 n GLN 6226N 8.49 0.00 -4.22 1.67 6.02 -1.25 -4.17 117.38 123.92 1sj9 n GLN 6226Ca 0.43 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 57.30 1sj9 n GLN 6226Cb 0.46 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.62 1sj9 n GLN 6226CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1sj9 s GLU 6227N 0.00 1.11 -0.25 -1.09 2.56 -1.26 -4.94 118.70 114.83 1sj9 s GLU 6227Ca 0.00 -1.55 -0.09 0.00 0.00 0.00 0.00 54.97 53.33 1sj9 s GLU 6227Cb 0.00 -0.05 0.10 0.00 2.00 0.00 0.00 34.13 36.18 1sj9 s GLU 6227CO 0.00 -0.22 0.54 0.96 -0.56 0.00 0.00 175.26 175.98 1sj9 s ILE 6228N -3.84 -0.69 1.13 -3.70 -4.36 -1.26 -4.56 121.20 103.91 1sj9 s ILE 6228Ca 0.28 0.08 -0.12 0.00 -0.26 0.00 0.00 60.65 60.62 1sj9 s ILE 6228Cb 0.07 -0.83 0.26 0.00 1.25 0.00 0.00 42.46 43.21 1sj9 s ILE 6228CO 0.06 0.03 1.04 -2.16 0.24 0.00 0.00 174.94 174.15 1sj9 s PRO 6229N 2.55 -0.62 0.11 0.37 0.04 -1.16 -4.99 135.00 131.30 1sj9 s PRO 6229Ca -0.05 0.87 -0.20 0.00 0.04 0.00 0.00 61.00 61.66 1sj9 s PRO 6229Cb -0.11 -1.59 0.05 0.00 0.04 0.00 0.00 34.50 32.89 1sj9 s PRO 6229CO -0.16 -3.53 0.49 0.54 0.04 0.00 0.00 177.00 174.38 1sj9 s ASN 6230N -2.63 -0.38 0.20 6.66 2.20 -1.26 -5.00 114.94 114.72 1sj9 s ASN 6230Ca 0.68 -0.08 -0.16 0.00 -0.94 0.00 0.00 52.86 52.36 1sj9 s ASN 6230Cb -0.24 0.51 0.19 0.00 -2.00 0.00 0.00 41.25 39.71 1sj9 s ASN 6230CO 0.63 -0.84 1.62 0.00 -2.94 0.00 0.00 177.10 175.58 1sj9 h ALA 6231N 2.41 0.29 -0.29 3.54 0.00 -1.98 1.08 119.26 124.30 1sj9 h ALA 6231Ca -0.33 0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.85 1sj9 h ALA 6231Cb 1.26 0.52 -0.08 0.00 0.00 0.00 0.00 17.79 19.49 1sj9 h ALA 6231CO 0.43 -0.49 -0.41 0.93 0.00 0.00 0.00 179.25 179.71 1sj9 h GLU 6232N -0.05 -0.37 0.00 0.00 5.08 -2.02 -3.17 114.58 114.05 1sj9 h GLU 6232Ca 0.27 0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.63 1sj9 h GLU 6232Cb 0.47 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 1sj9 h GLU 6232CO -0.62 -0.25 -0.25 1.79 -1.00 0.00 0.00 179.01 178.68 1sj9 h THR 6233N -0.38 0.69 -1.55 1.13 1.35 -1.89 -3.39 112.91 108.87 1sj9 h THR 6233Ca 0.12 -1.58 0.47 0.00 -0.55 0.00 0.00 66.41 64.87 1sj9 h THR 6233Cb 0.59 1.37 -0.09 0.00 -1.73 0.00 0.00 68.15 68.29 1sj9 h THR 6233CO -0.49 0.23 1.08 0.80 -0.25 0.00 0.00 175.52 176.89 1sj9 n MET 6234N -4.65 -0.01 -0.03 4.72 1.56 0.37 -0.05 117.12 119.02 1sj9 n MET 6234Ca -0.09 1.00 -0.14 0.00 -0.27 0.00 0.00 57.70 58.21 1sj9 n MET 6234Cb 0.29 -2.18 -0.11 0.00 2.15 0.00 0.00 33.22 33.37 1sj9 n MET 6234CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 1sj9 h LYS 6235N 0.00 0.06 -0.47 2.12 3.11 -1.73 -2.47 116.57 117.20 1sj9 h LYS 6235Ca 0.81 -0.05 0.09 0.00 -2.81 0.00 0.00 60.65 58.69 1sj9 h LYS 6235Cb 3.02 0.01 -0.08 0.00 -1.00 0.00 0.00 32.23 34.19 1sj9 h LYS 6235CO -0.15 0.72 0.00 0.37 -2.81 0.00 0.00 179.45 177.58 1sj9 h GLN 6236N -0.59 0.11 0.11 1.90 4.15 -0.66 0.11 115.11 120.25 1sj9 h GLN 6236Ca -0.00 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.41 1sj9 h GLN 6236Cb 0.74 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.39 1sj9 h GLN 6236CO 0.01 0.07 -0.12 1.15 -1.93 0.00 0.00 178.83 178.02 1sj9 h THR 6237N 0.11 0.73 0.00 2.39 2.02 -1.56 0.29 112.91 116.88 1sj9 h THR 6237Ca 0.23 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.41 1sj9 h THR 6237Cb 0.34 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1sj9 h THR 6237CO -0.39 0.00 0.00 -0.33 0.37 0.00 0.00 175.52 175.17 1sj9 h GLU 6238N -0.26 0.00 0.15 6.66 5.08 -0.80 0.80 114.58 126.21 1sj9 h GLU 6238Ca 0.01 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.12 1sj9 h GLU 6238Cb 0.26 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.52 1sj9 h GLU 6238CO -0.04 0.00 -1.17 0.77 -1.00 0.00 0.00 179.01 177.57 1sj9 h SER 6239N 0.00 0.49 -0.77 1.42 0.02 0.58 -1.94 113.55 113.36 1sj9 h SER 6239Ca 0.00 -0.91 0.17 0.00 -0.84 0.00 0.00 61.79 60.21 1sj9 h SER 6239Cb 0.04 -0.16 -0.11 0.00 0.14 0.00 0.00 62.40 62.30 1sj9 h SER 6239CO 0.00 1.54 0.21 0.45 -1.14 0.00 0.00 176.83 177.89 1sj9 h HIS 6240N -0.26 0.33 0.16 3.45 3.86 0.11 0.10 115.15 122.91 1sj9 h HIS 6240Ca -0.23 0.04 -0.22 0.00 -1.16 0.00 0.00 60.37 58.80 1sj9 h HIS 6240Cb 1.78 -0.03 0.03 0.00 1.06 0.00 0.00 27.41 30.25 1sj9 h HIS 6240CO 0.16 -0.08 -0.97 0.00 0.86 0.00 0.00 177.93 177.90 1sj9 h ALA 6241N 1.63 -0.10 -0.99 2.45 0.00 -1.46 -2.24 119.26 118.55 1sj9 h ALA 6241Ca 0.44 -0.73 0.11 0.00 0.00 0.00 0.00 54.91 54.73 1sj9 h ALA 6241Cb 0.77 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.60 1sj9 h ALA 6241CO -0.52 0.45 0.63 -0.24 0.00 0.00 0.00 179.25 179.57 1sj9 h VAL 6242N -0.23 0.95 0.01 0.00 3.04 -0.66 0.15 116.25 119.52 1sj9 h VAL 6242Ca -0.17 -0.35 -0.00 0.00 -1.01 0.00 0.00 66.70 65.18 1sj9 h VAL 6242Cb 1.76 -0.15 0.00 0.00 -2.01 0.00 0.00 31.29 30.89 1sj9 h VAL 6242CO 0.18 0.18 -0.01 0.50 -1.01 0.00 0.00 177.57 177.42 1sj9 h LYS 6243N 1.01 -0.02 -1.01 4.17 3.64 -1.10 -2.95 116.57 120.32 1sj9 h LYS 6243Ca 0.48 0.00 0.25 0.00 -1.27 0.00 0.00 60.65 60.11 1sj9 h LYS 6243Cb 0.43 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.17 1sj9 h LYS 6243CO -0.24 0.74 0.66 0.82 -2.27 0.00 0.00 179.45 179.16 1sj9 h ILE 6244N -0.82 0.57 0.00 2.00 5.03 -0.73 0.89 117.51 124.45 1sj9 h ILE 6244Ca -0.00 -0.14 0.00 0.00 -0.12 0.00 0.00 64.86 64.60 1sj9 h ILE 6244Cb 0.77 0.13 0.00 0.00 -3.03 0.00 0.00 36.82 34.69 1sj9 h ILE 6244CO 0.00 0.07 -0.31 0.55 -0.68 0.00 0.00 178.15 177.78 1sj9 n VAL 6245N -4.59 0.30 -0.06 1.67 3.14 0.46 -1.44 118.33 117.80 1sj9 n VAL 6245Ca 0.24 -0.18 -0.17 0.00 -2.96 0.00 0.00 64.34 61.27 1sj9 n VAL 6245Cb 0.83 -0.26 -0.13 0.00 -1.06 0.00 0.00 33.84 33.22 1sj9 n VAL 6245CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 1sj9 n VAL 6246N -1.94 1.60 -0.18 1.55 0.31 0.80 -3.01 118.33 117.46 1sj9 n VAL 6246Ca 0.05 -0.67 -0.09 0.00 -0.01 0.00 0.00 64.34 63.62 1sj9 n VAL 6246Cb 0.40 -1.35 0.01 0.00 -0.91 0.00 0.00 33.84 31.99 1sj9 n VAL 6246CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1sj9 h GLU 6247N 0.03 0.88 -0.07 5.55 4.22 0.60 -2.23 114.58 123.56 1sj9 h GLU 6247Ca -0.48 -0.25 0.00 0.00 0.08 0.00 0.00 59.36 58.71 1sj9 h GLU 6247Cb 2.01 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 31.16 1sj9 h GLU 6247CO 0.01 0.88 0.04 0.00 -2.18 0.00 0.00 179.01 177.76 1sj9 h ALA 6248N 0.97 0.09 -0.21 2.92 0.00 -1.40 -2.71 119.26 118.93 1sj9 h ALA 6248Ca 0.16 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1sj9 h ALA 6248Cb 0.44 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1sj9 h ALA 6248CO 0.02 -0.41 0.17 0.00 0.00 0.00 0.00 179.25 179.02 1sj9 h ALA 6249N 1.01 2.03 -0.26 0.00 0.00 -1.42 -2.13 119.26 118.49 1sj9 h ALA 6249Ca 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1sj9 h ALA 6249Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1sj9 h ALA 6249CO -0.01 -0.28 0.14 -0.09 0.00 0.00 0.00 179.25 179.01 1sj9 h ARG 6250N 0.00 0.36 0.00 0.00 2.43 -1.06 -2.99 114.38 113.12 1sj9 h ARG 6250Ca 0.10 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1sj9 h ARG 6250Cb 0.45 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1sj9 h ARG 6250CO -0.00 0.32 0.00 0.54 -1.51 0.00 0.00 179.97 179.32 1sj9 n ARG 6251N -4.85 0.09 -0.04 0.20 1.74 -0.80 -2.78 116.66 110.22 1sj9 n ARG 6251Ca -0.02 0.19 0.12 0.00 -0.77 0.00 0.00 57.85 57.37 1sj9 n ARG 6251Cb 0.08 -1.50 0.39 0.00 -1.02 0.00 0.00 32.46 30.40 1sj9 n ARG 6251CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1sj9 n LEU 6252N -1.42 1.96 -0.85 0.55 4.77 -1.13 -5.11 117.00 115.77 1sj9 n LEU 6252Ca 0.05 -0.73 0.11 0.00 -0.03 0.00 0.00 56.01 55.41 1sj9 n LEU 6252Cb 0.17 -0.05 0.09 0.00 -2.33 0.00 0.00 43.42 41.29 1sj9 n LEU 6252CO 0.14 0.36 0.59 0.18 -1.33 0.00 0.00 177.39 177.33