#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pga n ASP 6005N 0.00 0.35 -4.12 -3.46 10.43 -0.43 -4.89 116.55 114.42 2pga n ASP 6005Ca 0.00 0.31 -0.09 0.00 2.57 0.00 0.00 54.79 57.59 2pga n ASP 6005Cb 0.00 -0.33 -0.10 0.00 1.84 0.00 0.00 41.12 42.53 2pga n ASP 6005CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 2pga s VAL 6006N -3.04 0.42 0.19 2.53 -7.23 -1.25 -5.05 120.40 106.98 2pga s VAL 6006Ca 0.12 -1.85 0.07 0.00 -1.81 0.00 0.00 61.98 58.51 2pga s VAL 6006Cb 0.17 -1.58 -0.12 0.00 0.56 0.00 0.00 36.38 35.41 2pga s VAL 6006CO 0.60 -0.94 1.43 0.15 -0.31 0.00 0.00 175.10 176.04 2pga h PHE 6007N 3.09 0.08 0.00 2.82 3.04 -1.95 -3.38 116.94 120.63 2pga h PHE 6007Ca -0.35 -0.04 -0.17 0.00 3.98 0.00 0.00 57.97 61.39 2pga h PHE 6007Cb 1.15 -0.01 -0.03 0.00 2.56 0.00 0.00 35.95 39.62 2pga h PHE 6007CO 0.56 0.85 -1.66 0.72 -2.02 0.00 0.00 178.31 176.75 2pga n HIS 6008N -3.61 0.00 0.19 0.41 8.25 -1.26 -4.74 115.22 114.47 2pga n HIS 6008Ca -0.01 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.53 2pga n HIS 6008Cb 0.78 -0.45 0.21 0.00 1.12 0.00 0.00 29.99 31.65 2pga n HIS 6008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2pga h LEU 6009N 0.00 0.00 0.95 2.41 3.38 -1.93 -3.44 115.31 116.68 2pga h LEU 6009Ca -0.26 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.48 2pga h LEU 6009Cb 1.43 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.19 2pga h LEU 6009CO -0.03 0.23 -0.32 0.61 0.09 0.00 0.00 178.44 179.02 2pga n GLY 6010N 0.87 -0.05 3.42 0.83 0.00 -1.26 -4.73 105.19 104.28 2pga n GLY 6010Ca 0.02 -0.33 -0.26 0.00 0.00 0.00 0.00 46.02 45.45 2pga n GLY 6010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pga s LEU 6011N -3.67 2.45 0.27 0.99 1.43 -1.26 -4.88 118.68 114.01 2pga s LEU 6011Ca 0.09 -0.88 0.10 0.00 -1.03 0.00 0.00 54.13 52.41 2pga s LEU 6011Cb -0.04 -1.14 -0.05 0.00 0.03 0.00 0.00 46.19 44.99 2pga s LEU 6011CO 0.11 0.11 -0.07 0.42 0.23 0.00 0.00 176.35 177.15 2pga s THR 6012N -1.75 3.09 0.40 5.49 -4.23 -1.26 -1.32 115.64 116.06 2pga s THR 6012Ca 0.21 -2.09 0.12 0.00 -1.18 0.00 0.00 61.69 58.76 2pga s THR 6012Cb -0.08 -2.66 0.33 0.00 1.34 0.00 0.00 72.50 71.44 2pga s THR 6012CO 0.10 -0.38 1.93 0.11 -0.54 0.00 0.00 174.62 175.84 2pga h LYS 6013N 2.01 0.51 -0.52 3.99 1.57 -1.96 0.31 116.57 122.48 2pga h LYS 6013Ca -0.43 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.35 2pga h LYS 6013Cb 1.25 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.42 2pga h LYS 6013CO 0.60 0.34 0.34 -0.97 -0.57 0.00 0.00 179.45 179.20 2pga h ASN 6014N 0.53 0.52 0.01 0.86 -1.24 -1.95 -1.23 115.58 113.07 2pga h ASN 6014Ca 0.36 -0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.36 2pga h ASN 6014Cb 0.68 -0.12 -0.00 0.00 0.73 0.00 0.00 38.32 39.60 2pga h ASN 6014CO -0.13 0.36 -0.00 0.44 -1.29 0.00 0.00 177.43 176.81 2pga h ASP 6015N 0.61 0.00 1.62 1.15 3.45 -1.33 -2.31 116.42 119.61 2pga h ASP 6015Ca 0.20 0.00 -0.07 0.00 0.43 0.00 0.00 57.03 57.59 2pga h ASP 6015Cb 0.07 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.83 2pga h ASP 6015CO -0.05 0.00 -0.39 -0.07 -1.57 0.00 0.00 179.24 177.17 2pga h LEU 6016N 0.00 0.00 -1.03 1.55 4.07 -1.28 -3.47 115.31 115.15 2pga h LEU 6016Ca -0.00 0.00 -0.47 0.00 0.08 0.00 0.00 57.88 57.49 2pga h LEU 6016Cb 0.01 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.72 2pga h LEU 6016CO 0.00 0.35 -0.76 0.00 -1.08 0.00 0.00 178.44 176.94 2pga n GLN 6017N -3.17 -5.52 -0.85 1.13 1.13 -0.87 -1.16 117.38 108.07 2pga n GLN 6017Ca 0.02 0.60 0.00 0.00 -1.94 0.00 0.00 57.00 55.68 2pga n GLN 6017Cb 0.67 -5.47 0.00 0.00 0.11 0.00 0.00 30.24 25.55 2pga n GLN 6017CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2pga n GLY 6018N -1.69 0.70 3.78 1.08 0.00 -1.26 -4.62 105.19 103.17 2pga n GLY 6018Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2pga n GLY 6018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pga s ALA 6019N -2.59 3.57 0.00 4.61 0.00 -0.31 -4.88 121.76 122.16 2pga s ALA 6019Ca 0.00 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.54 2pga s ALA 6019Cb 0.00 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.51 2pga s ALA 6019CO 0.00 -1.07 0.38 1.04 0.00 0.00 0.00 175.76 176.11 2pga n GLN 6020N 0.44 -0.24 -4.80 0.00 6.02 -1.26 -4.38 117.38 113.16 2pga n GLN 6020Ca 0.01 -0.38 -0.25 0.00 -0.01 0.00 0.00 57.00 56.37 2pga n GLN 6020Cb 0.39 -0.87 -0.16 0.00 1.02 0.00 0.00 30.24 30.62 2pga n GLN 6020CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2pga s LEU 6021N -0.15 1.94 -0.04 1.08 0.20 -1.26 -0.12 118.68 120.32 2pga s LEU 6021Ca 0.00 -0.33 0.04 0.00 0.69 0.00 0.00 54.13 54.53 2pga s LEU 6021Cb 0.00 -0.92 -0.00 0.00 -0.43 0.00 0.00 46.19 44.84 2pga s LEU 6021CO 0.00 0.16 -0.17 0.00 -0.29 0.00 0.00 176.35 176.06 2pga s ALA 6022N -0.07 1.48 -0.21 5.97 0.00 -0.14 -1.68 121.76 127.11 2pga s ALA 6022Ca -0.01 -0.67 -0.14 0.00 0.00 0.00 0.00 51.96 51.15 2pga s ALA 6022Cb -0.10 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 2pga s ALA 6022CO 0.01 0.27 0.32 0.42 0.00 0.00 0.00 175.76 176.78 2pga s ILE 6023N 0.05 5.26 -0.46 0.00 1.01 0.34 -0.88 121.20 126.51 2pga s ILE 6023Ca -0.04 0.54 0.03 0.00 0.00 0.00 0.00 60.65 61.19 2pga s ILE 6023Cb -0.11 -3.65 0.13 0.00 0.01 0.00 0.00 42.46 38.83 2pga s ILE 6023CO 0.02 0.30 0.22 0.68 0.00 0.00 0.00 174.94 176.16 2pga s VAL 6024N 1.11 2.13 0.76 2.92 -7.23 0.29 -1.50 120.40 118.88 2pga s VAL 6024Ca 0.16 -2.89 -0.12 0.00 -1.81 0.00 0.00 61.98 57.32 2pga s VAL 6024Cb -0.14 -2.50 0.05 0.00 0.56 0.00 0.00 36.38 34.35 2pga s VAL 6024CO 0.06 -0.79 1.10 -2.16 -0.31 0.00 0.00 175.10 173.00 2pga s PRO 6025N 0.14 2.40 -0.01 4.82 0.04 -1.23 -3.19 135.00 137.97 2pga s PRO 6025Ca 0.16 0.50 -0.07 0.00 0.04 0.00 0.00 61.00 61.64 2pga s PRO 6025Cb -0.24 -1.97 -0.30 0.00 0.04 0.00 0.00 34.50 32.04 2pga s PRO 6025CO -0.02 -1.37 0.83 0.78 0.04 0.00 0.00 177.00 177.26 2pga h GLY 6026N -0.90 0.37 -6.32 0.56 0.00 -1.84 -0.14 103.07 94.80 2pga h GLY 6026Ca -0.46 -0.96 -0.60 0.00 0.00 0.00 0.00 47.33 45.31 2pga h GLY 6026CO 0.62 0.84 0.10 -0.35 0.00 0.00 0.00 176.54 177.74 2pga s ASP 6027N -7.15 6.59 0.54 0.19 3.68 -1.26 -1.41 116.67 117.85 2pga s ASP 6027Ca -0.11 0.72 0.29 0.00 2.13 0.00 0.00 52.55 55.57 2pga s ASP 6027Cb 0.06 -2.33 1.45 0.00 -1.45 0.00 0.00 42.92 40.66 2pga s ASP 6027CO 0.87 -0.30 1.93 -0.65 0.13 0.00 0.00 175.17 177.15 2pga h PRO 6028N 7.72 0.00 0.00 4.34 0.11 -1.88 -1.28 132.00 141.01 2pga h PRO 6028Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2pga h PRO 6028Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2pga h PRO 6028CO 0.76 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.94 2pga n GLU 6029N -4.20 0.20 0.07 1.05 1.02 -1.26 -2.95 120.64 114.57 2pga n GLU 6029Ca 0.13 0.22 0.12 0.00 -0.02 0.00 0.00 57.16 57.61 2pga n GLU 6029Cb 0.77 -1.76 0.26 0.00 -0.02 0.00 0.00 31.44 30.69 2pga n GLU 6029CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2pga n ARG 6030N -2.11 0.25 0.16 3.49 0.63 -0.48 -4.36 116.66 114.24 2pga n ARG 6030Ca 0.05 0.11 -0.14 0.00 -0.92 0.00 0.00 57.85 56.95 2pga n ARG 6030Cb 0.38 -1.70 -0.08 0.00 0.45 0.00 0.00 32.46 31.51 2pga n ARG 6030CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2pga h VAL 6031N 0.00 0.75 -0.95 5.15 2.07 -1.62 -1.47 116.25 120.18 2pga h VAL 6031Ca 0.00 -0.34 0.12 0.00 0.82 0.00 0.00 66.70 67.31 2pga h VAL 6031Cb 0.71 0.93 -0.08 0.00 -1.52 0.00 0.00 31.29 31.34 2pga h VAL 6031CO 0.00 0.07 0.60 -0.08 0.02 0.00 0.00 177.57 178.19 2pga h GLU 6032N -0.57 0.86 -0.43 1.57 4.81 -1.78 0.46 114.58 119.50 2pga h GLU 6032Ca -0.04 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.03 2pga h GLU 6032Cb 0.42 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2pga h GLU 6032CO 0.07 0.57 -0.17 0.87 -0.73 0.00 0.00 179.01 179.61 2pga h LYS 6033N 0.88 0.87 -0.18 1.92 1.57 -1.70 -0.69 116.57 119.24 2pga h LYS 6033Ca 0.47 -0.37 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 2pga h LYS 6033Cb 0.54 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 2pga h LYS 6033CO -0.23 1.01 0.04 0.82 -0.57 0.00 0.00 179.45 180.52 2pga h ILE 6034N 0.69 1.21 -0.61 1.86 2.04 -0.63 -2.92 117.51 119.15 2pga h ILE 6034Ca 0.10 -0.67 0.07 0.00 1.00 0.00 0.00 64.86 65.36 2pga h ILE 6034Cb 0.73 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 38.07 2pga h ILE 6034CO 0.06 0.20 0.41 0.00 0.00 0.00 0.00 178.15 178.82 2pga h ALA 6035N 0.85 1.83 0.00 1.87 0.00 -0.73 -2.17 119.26 120.91 2pga h ALA 6035Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2pga h ALA 6035Cb 0.27 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2pga h ALA 6035CO 0.00 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.31 2pga h ALA 6036N 1.67 1.00 -0.00 0.00 0.00 -0.92 -1.13 119.26 119.88 2pga h ALA 6036Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2pga h ALA 6036Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2pga h ALA 6036CO -0.08 0.00 -0.04 1.28 0.00 0.00 0.00 179.25 180.41 2pga n LEU 6037N -2.75 0.12 -4.80 0.00 4.77 -0.82 -4.87 117.00 108.65 2pga n LEU 6037Ca -0.00 0.22 -0.29 0.00 -0.03 0.00 0.00 56.01 55.91 2pga n LEU 6037Cb 0.20 -0.27 -0.05 0.00 -2.33 0.00 0.00 43.42 40.96 2pga n LEU 6037CO 0.21 0.02 -0.14 -0.04 -1.33 0.00 0.00 177.39 176.12 2pga s MET 6038N -2.58 2.21 0.37 3.23 -1.94 -0.43 -5.12 119.30 115.04 2pga s MET 6038Ca 0.28 -2.16 -0.19 0.00 -1.71 0.00 0.00 55.69 51.90 2pga s MET 6038Cb 0.20 -1.81 -0.10 0.00 2.01 0.00 0.00 34.83 35.13 2pga s MET 6038CO 0.47 -0.39 0.87 -0.51 -0.01 0.00 0.00 175.02 175.45 2pga s ASP 6039N -4.01 6.92 -1.36 3.03 -0.00 -0.45 -4.39 116.67 116.41 2pga s ASP 6039Ca 0.23 1.55 -0.07 0.00 -0.00 0.00 0.00 52.55 54.26 2pga s ASP 6039Cb 0.01 -2.48 0.00 0.00 -0.00 0.00 0.00 42.92 40.45 2pga s ASP 6039CO 0.13 -0.27 0.45 0.29 -0.00 0.00 0.00 175.17 175.78 2pga n LYS 6040N -0.39 -2.39 -2.13 8.23 5.02 -1.26 -0.09 118.16 125.15 2pga n LYS 6040Ca 0.05 0.35 -0.42 0.00 -2.02 0.00 0.00 58.31 56.27 2pga n LYS 6040Cb 0.53 -4.18 -0.03 0.00 -0.02 0.00 0.00 35.03 31.34 2pga n LYS 6040CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2pga s PRO 6041N -6.63 4.29 -0.05 1.97 0.04 -1.26 -4.39 135.00 128.98 2pga s PRO 6041Ca 0.12 2.11 0.02 0.00 0.04 0.00 0.00 61.00 63.29 2pga s PRO 6041Cb -0.05 -3.32 0.02 0.00 0.04 0.00 0.00 34.50 31.18 2pga s PRO 6041CO 0.90 -0.51 -0.07 0.08 0.04 0.00 0.00 177.00 177.45 2pga s VAL 6042N 1.45 0.71 0.28 -0.36 1.01 0.68 -4.99 120.40 119.18 2pga s VAL 6042Ca 0.66 -0.24 -0.29 0.00 0.00 0.00 0.00 61.98 62.11 2pga s VAL 6042Cb -0.37 -0.69 -0.10 0.00 0.00 0.00 0.00 36.38 35.22 2pga s VAL 6042CO 0.30 0.26 1.26 -0.75 0.00 0.00 0.00 175.10 176.17 2pga s LYS 6043N 0.76 4.43 -0.15 2.72 2.20 -1.26 -0.04 119.74 128.39 2pga s LYS 6043Ca -0.12 2.08 -0.13 0.00 -0.36 0.00 0.00 55.97 57.44 2pga s LYS 6043Cb -0.14 -3.13 -0.06 0.00 -1.51 0.00 0.00 37.83 32.98 2pga s LYS 6043CO 0.01 -0.11 -0.27 1.28 -0.36 0.00 0.00 175.35 175.90 2pga n LEU 6044N 1.41 1.65 -3.50 5.43 4.77 0.25 -4.85 117.00 122.15 2pga n LEU 6044Ca 0.01 0.27 -0.10 0.00 -0.03 0.00 0.00 56.01 56.17 2pga n LEU 6044Cb 0.43 -0.64 -0.02 0.00 -2.33 0.00 0.00 43.42 40.86 2pga n LEU 6044CO 0.58 -0.08 0.50 0.00 -1.33 0.00 0.00 177.39 177.06 2pga s ALA 6045N -2.58 -1.62 -0.19 -1.18 0.00 -1.05 -5.00 121.76 110.14 2pga s ALA 6045Ca -0.25 0.53 -0.04 0.00 0.00 0.00 0.00 51.96 52.20 2pga s ALA 6045Cb 0.06 0.75 0.08 0.00 0.00 0.00 0.00 23.12 24.01 2pga s ALA 6045CO 0.34 -0.79 0.16 0.45 0.00 0.00 0.00 175.76 175.92 2pga s SER 6046N -2.71 1.85 -0.03 0.00 0.15 -1.26 -0.33 113.70 111.37 2pga s SER 6046Ca 0.04 -0.42 0.01 0.00 0.70 0.00 0.00 55.95 56.28 2pga s SER 6046Cb -0.02 0.09 0.01 0.00 -1.71 0.00 0.00 66.02 64.40 2pga s SER 6046CO -0.09 -0.34 -0.05 -1.00 1.20 0.00 0.00 173.24 172.96 2pga s HIS 6047N 2.24 0.68 0.00 3.44 3.76 -0.69 -4.98 115.29 119.74 2pga s HIS 6047Ca 0.05 -0.16 0.00 0.00 -0.15 0.00 0.00 55.06 54.79 2pga s HIS 6047Cb -0.16 -0.55 0.00 0.00 1.11 0.00 0.00 32.58 32.98 2pga s HIS 6047CO -0.11 -0.12 0.00 0.54 -0.85 0.00 0.00 174.74 174.20 2pga n ARG 6048N 3.62 0.00 -0.08 1.40 1.74 -1.26 -0.16 116.66 121.92 2pga n ARG 6048Ca -0.21 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 56.91 2pga n ARG 6048Cb 0.53 0.00 0.17 0.00 -1.02 0.00 0.00 32.46 32.14 2pga n ARG 6048CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2pga n GLU 6049N 14.00 1.40 -3.40 5.56 0.00 -1.26 -4.69 120.64 132.25 2pga n GLU 6049Ca 0.00 -0.61 -0.45 0.00 0.00 0.00 0.00 57.16 56.10 2pga n GLU 6049Cb 0.00 -1.19 -0.04 0.00 0.00 0.00 0.00 31.44 30.22 2pga n GLU 6049CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 2pga s PHE 6050N -1.80 3.63 -0.18 -1.84 0.40 0.77 -3.84 117.98 115.13 2pga s PHE 6050Ca 0.16 -2.01 -0.09 0.00 -0.60 0.00 0.00 56.93 54.40 2pga s PHE 6050Cb 0.08 -3.71 -0.05 0.00 0.51 0.00 0.00 43.02 39.86 2pga s PHE 6050CO 0.12 -0.97 0.10 0.99 0.70 0.00 0.00 175.22 176.16 2pga s THR 6051N 0.36 5.18 0.02 0.64 2.01 -1.26 -1.70 115.64 120.90 2pga s THR 6051Ca 0.15 0.10 0.04 0.00 0.31 0.00 0.00 61.69 62.30 2pga s THR 6051Cb -0.15 -3.34 -0.02 0.00 0.01 0.00 0.00 72.50 69.01 2pga s THR 6051CO -0.06 0.47 -0.12 -0.94 -0.69 0.00 0.00 174.62 173.28 2pga s SER 6052N 0.15 1.45 0.08 3.53 1.04 0.55 -1.35 113.70 119.13 2pga s SER 6052Ca 0.07 -0.38 0.02 0.00 0.48 0.00 0.00 55.95 56.14 2pga s SER 6052Cb -0.12 -0.10 -0.03 0.00 0.10 0.00 0.00 66.02 65.87 2pga s SER 6052CO -0.00 0.04 -0.08 0.26 0.98 0.00 0.00 173.24 174.44 2pga s TRP 6053N -0.71 0.83 0.09 5.02 0.52 0.18 -0.58 118.94 124.29 2pga s TRP 6053Ca 0.01 -0.73 0.08 0.00 0.02 0.00 0.00 56.10 55.48 2pga s TRP 6053Cb -0.07 -0.48 -0.04 0.00 -1.15 0.00 0.00 33.47 31.73 2pga s TRP 6053CO 0.01 -0.11 -0.15 0.50 0.02 0.00 0.00 176.95 177.22 2pga s ARG 6054N -2.87 1.99 0.17 4.98 3.52 0.94 -1.00 118.95 126.68 2pga s ARG 6054Ca 0.03 -1.07 -0.01 0.00 -0.13 0.00 0.00 55.73 54.56 2pga s ARG 6054Cb -0.01 -2.21 0.00 0.00 -1.56 0.00 0.00 34.95 31.17 2pga s ARG 6054CO -0.02 0.51 0.24 0.00 -0.81 0.00 0.00 175.30 175.21 2pga n ALA 6055N 0.95 -0.14 -2.88 6.12 0.00 -0.22 -0.23 120.51 124.11 2pga n ALA 6055Ca -0.15 -0.81 -0.21 0.00 0.00 0.00 0.00 53.44 52.27 2pga n ALA 6055Cb 0.52 0.65 -0.15 0.00 0.00 0.00 0.00 19.45 20.47 2pga n ALA 6055CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2pga s GLU 6056N -2.41 1.04 -0.12 0.00 2.12 0.87 -0.18 118.70 120.02 2pga s GLU 6056Ca 0.15 -0.37 -0.01 0.00 0.36 0.00 0.00 54.97 55.09 2pga s GLU 6056Cb -0.00 -0.97 0.03 0.00 0.26 0.00 0.00 34.13 33.45 2pga s GLU 6056CO 0.10 0.17 -0.04 -1.17 -0.54 0.00 0.00 175.26 173.78 2pga s LEU 6057N 0.02 1.10 -1.39 2.70 2.96 0.10 -1.34 118.68 122.83 2pga s LEU 6057Ca -0.01 -0.35 -0.10 0.00 -0.22 0.00 0.00 54.13 53.46 2pga s LEU 6057Cb -0.07 -0.73 0.07 0.00 0.50 0.00 0.00 46.19 45.96 2pga s LEU 6057CO 0.00 -0.17 0.60 0.47 -1.32 0.00 0.00 176.35 175.94 2pga n ASP 6058N 5.00 -4.17 0.00 3.68 10.43 -1.26 -1.04 116.55 129.19 2pga n ASP 6058Ca -0.11 -0.48 0.00 0.00 2.57 0.00 0.00 54.79 56.77 2pga n ASP 6058Cb 0.49 -3.41 0.00 0.00 1.84 0.00 0.00 41.12 40.04 2pga n ASP 6058CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2pga n GLY 6059N -1.31 0.58 3.39 0.44 0.00 -1.26 -5.03 105.19 101.99 2pga n GLY 6059Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 2pga n GLY 6059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pga s LYS 6060N -0.05 2.48 0.37 1.61 1.02 -0.20 -5.10 119.74 119.87 2pga s LYS 6060Ca 0.00 -0.79 -0.27 0.00 0.02 0.00 0.00 55.97 54.93 2pga s LYS 6060Cb 0.00 -2.28 -0.10 0.00 -0.52 0.00 0.00 37.83 34.94 2pga s LYS 6060CO 0.00 0.53 1.34 0.00 -0.92 0.00 0.00 175.35 176.30 2pga s ALA 6061N -0.52 3.41 0.02 5.17 0.00 -1.26 0.00 121.76 128.58 2pga s ALA 6061Ca 0.07 1.30 0.02 0.00 0.00 0.00 0.00 51.96 53.35 2pga s ALA 6061Cb -0.11 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.49 2pga s ALA 6061CO 0.01 -0.79 -0.06 0.08 0.00 0.00 0.00 175.76 174.99 2pga s VAL 6062N -1.19 0.47 -0.11 0.00 1.01 0.74 -4.35 120.40 116.98 2pga s VAL 6062Ca 0.53 -0.59 -0.06 0.00 0.00 0.00 0.00 61.98 61.86 2pga s VAL 6062Cb -0.40 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 2pga s VAL 6062CO 0.53 -0.10 0.11 -0.63 0.00 0.00 0.00 175.10 175.02 2pga s ILE 6063N -0.66 5.27 -0.15 2.22 -1.09 -0.68 -1.05 121.20 125.06 2pga s ILE 6063Ca -0.03 0.11 0.00 0.00 -2.23 0.00 0.00 60.65 58.50 2pga s ILE 6063Cb -0.05 -3.28 -0.00 0.00 -1.58 0.00 0.00 42.46 37.54 2pga s ILE 6063CO 0.00 0.61 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.48 2pga s VAL 6064N -1.01 2.71 -0.11 2.92 1.01 -0.17 -0.50 120.40 125.25 2pga s VAL 6064Ca 0.15 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 61.32 2pga s VAL 6064Cb -0.12 -2.15 0.05 0.00 0.00 0.00 0.00 36.38 34.17 2pga s VAL 6064CO 0.04 0.51 0.25 0.00 0.00 0.00 0.00 175.10 175.91 2pga s SER 6066N 1.56 6.31 -0.01 0.00 1.04 -0.46 -3.51 113.70 118.62 2pga s SER 6066Ca -0.07 1.71 0.14 0.00 0.48 0.00 0.00 55.95 58.21 2pga s SER 6066Cb -0.11 -2.53 -0.20 0.00 0.10 0.00 0.00 66.02 63.29 2pga s SER 6066CO -0.09 -0.80 0.39 0.35 0.98 0.00 0.00 173.24 174.07 2pga n THR 6067N -1.60 0.00 -0.13 2.02 -2.24 -0.06 -4.41 114.28 107.84 2pga n THR 6067Ca 0.08 -0.28 0.02 0.00 -2.27 0.00 0.00 64.05 61.59 2pga n THR 6067Cb 0.53 0.40 -0.01 0.00 -2.10 0.00 0.00 70.33 69.16 2pga n THR 6067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pga n GLY 6068N 1.59 -1.64 3.71 3.38 0.00 -0.50 -3.25 105.19 108.47 2pga n GLY 6068Ca -0.01 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 2pga n GLY 6068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pga s ILE 6069N -1.58 4.89 0.00 -0.61 1.01 -1.26 -4.69 121.20 118.97 2pga s ILE 6069Ca 0.00 1.95 0.00 0.00 0.00 0.00 0.00 60.65 62.60 2pga s ILE 6069Cb 0.00 -4.27 0.00 0.00 0.01 0.00 0.00 42.46 38.20 2pga s ILE 6069CO 0.00 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.71 2pga n GLY 6070N 2.97 2.51 0.28 6.18 0.00 -1.26 -4.65 105.19 111.21 2pga n GLY 6070Ca 0.05 -1.85 0.02 0.00 0.00 0.00 0.00 46.02 44.24 2pga n GLY 6070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2pga h GLY 6071N 0.00 1.15 0.92 -0.02 0.00 -1.85 -2.17 103.07 101.10 2pga h GLY 6071Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 2pga h GLY 6071CO 0.00 0.08 -0.09 -2.55 0.00 0.00 0.00 176.54 173.99 2pga h PRO 6072N 0.67 -0.23 -0.28 4.80 0.11 -1.93 0.21 132.00 135.35 2pga h PRO 6072Ca 0.37 0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.39 2pga h PRO 6072Cb 0.37 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 2pga h PRO 6072CO -0.26 -0.09 -0.28 1.03 -0.21 0.00 0.00 178.00 178.19 2pga h SER 6073N -0.32 0.56 -0.83 -2.05 0.87 -1.80 -2.32 113.55 107.65 2pga h SER 6073Ca -0.02 -0.21 0.08 0.00 -1.23 0.00 0.00 61.79 60.41 2pga h SER 6073Cb 0.25 -0.15 -0.07 0.00 -0.44 0.00 0.00 62.40 61.99 2pga h SER 6073CO 0.04 0.82 0.49 0.74 -0.53 0.00 0.00 176.83 178.39 2pga h THR 6074N 0.48 0.96 -0.06 2.23 2.02 -1.10 -1.59 112.91 115.86 2pga h THR 6074Ca 0.06 -0.29 -0.09 0.00 0.77 0.00 0.00 66.41 66.87 2pga h THR 6074Cb 0.73 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 2pga h THR 6074CO 0.06 0.16 -0.37 0.77 0.37 0.00 0.00 175.52 176.51 2pga h SER 6075N 0.85 0.11 -0.01 4.18 4.64 -0.04 -0.23 113.55 123.05 2pga h SER 6075Ca 0.39 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.66 2pga h SER 6075Cb 0.29 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2pga h SER 6075CO -0.22 0.47 -0.01 0.40 -0.87 0.00 0.00 176.83 176.61 2pga h ILE 6076N 0.10 1.37 -0.53 0.95 2.04 -1.13 -2.25 117.51 118.06 2pga h ILE 6076Ca 0.01 -1.11 -0.00 0.00 1.00 0.00 0.00 64.86 64.76 2pga h ILE 6076Cb 0.69 2.11 -0.03 0.00 -0.74 0.00 0.00 36.82 38.85 2pga h ILE 6076CO 0.05 0.29 0.33 0.00 0.00 0.00 0.00 178.15 178.82 2pga h ALA 6077N 0.54 0.67 -0.31 1.87 0.00 -0.79 -1.17 119.26 120.08 2pga h ALA 6077Ca 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2pga h ALA 6077Cb 0.48 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2pga h ALA 6077CO 0.00 0.15 0.03 0.28 0.00 0.00 0.00 179.25 179.71 2pga h VAL 6078N 0.71 1.24 -0.20 0.00 2.07 -1.13 -0.71 116.25 118.24 2pga h VAL 6078Ca 0.19 -0.86 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 2pga h VAL 6078Cb -0.03 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 2pga h VAL 6078CO -0.04 0.28 0.12 -0.08 0.02 0.00 0.00 177.57 177.88 2pga h GLU 6079N 0.34 0.28 -0.27 1.57 4.57 -1.17 0.17 114.58 120.07 2pga h GLU 6079Ca 0.09 -0.02 -0.16 0.00 -1.18 0.00 0.00 59.36 58.09 2pga h GLU 6079Cb 0.38 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 2pga h GLU 6079CO 0.01 0.22 -0.46 0.93 -1.18 0.00 0.00 179.01 178.53 2pga h GLU 6080N 0.25 0.71 -0.91 1.92 5.08 -1.15 0.27 114.58 120.76 2pga h GLU 6080Ca 0.07 -0.40 0.02 0.00 -1.00 0.00 0.00 59.36 58.05 2pga h GLU 6080Cb 0.02 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 2pga h GLU 6080CO -0.01 1.02 0.60 -0.07 -1.00 0.00 0.00 179.01 179.55 2pga h LEU 6081N 0.57 1.02 -0.57 1.33 3.38 -0.97 -0.99 115.31 119.07 2pga h LEU 6081Ca 0.03 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2pga h LEU 6081Cb 1.02 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 2pga h LEU 6081CO 0.10 0.72 0.29 0.00 0.09 0.00 0.00 178.44 179.64 2pga h ALA 6082N 1.35 0.73 -0.31 1.53 0.00 -0.02 -0.52 119.26 122.03 2pga h ALA 6082Ca 0.35 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2pga h ALA 6082Cb -0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 2pga h ALA 6082CO -0.09 0.28 0.20 1.96 0.00 0.00 0.00 179.25 181.60 2pga h GLN 6083N 0.77 0.40 0.00 0.00 4.20 -0.46 -1.29 115.11 118.73 2pga h GLN 6083Ca 0.20 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2pga h GLN 6083Cb 0.08 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.77 2pga h GLN 6083CO -0.03 0.27 -0.05 1.28 -0.67 0.00 0.00 178.83 179.62 2pga n LEU 6084N -4.49 0.17 0.00 1.46 4.77 -0.42 -4.90 117.00 113.58 2pga n LEU 6084Ca 0.02 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 2pga n LEU 6084Cb 0.07 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 2pga n LEU 6084CO 0.35 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 2pga n GLY 6085N 1.47 0.87 3.74 -0.72 0.00 -0.49 -4.75 105.19 105.32 2pga n GLY 6085Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2pga n GLY 6085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pga s ILE 6086N -1.74 3.47 0.00 -0.61 -1.09 -0.31 -4.56 121.20 116.35 2pga s ILE 6086Ca 0.00 1.26 0.00 0.00 -2.23 0.00 0.00 60.65 59.68 2pga s ILE 6086Cb 0.00 -3.80 0.00 0.00 -1.58 0.00 0.00 42.46 37.08 2pga s ILE 6086CO 0.00 0.21 0.00 0.54 -1.23 0.00 0.00 174.94 174.46 2pga n ARG 6087N 2.35 5.10 -4.31 2.79 5.12 0.83 -4.23 116.66 124.30 2pga n ARG 6087Ca 0.04 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.74 2pga n ARG 6087Cb 0.44 -0.55 -0.16 0.00 -1.16 0.00 0.00 32.46 31.03 2pga n ARG 6087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2pga s THR 6088N -1.07 0.79 -0.10 0.55 2.01 -0.82 -0.82 115.64 116.17 2pga s THR 6088Ca 0.00 -0.26 0.03 0.00 0.31 0.00 0.00 61.69 61.76 2pga s THR 6088Cb 0.00 -0.77 0.01 0.00 0.01 0.00 0.00 72.50 71.75 2pga s THR 6088CO 0.00 0.28 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.67 2pga s PHE 6089N 0.87 2.16 -0.28 4.92 0.40 0.84 -0.97 117.98 125.93 2pga s PHE 6089Ca -0.11 -0.96 0.01 0.00 -0.60 0.00 0.00 56.93 55.26 2pga s PHE 6089Cb -0.15 -1.51 0.05 0.00 0.51 0.00 0.00 43.02 41.93 2pga s PHE 6089CO 0.01 -0.45 -0.05 -0.51 0.70 0.00 0.00 175.22 174.92 2pga s LEU 6090N 0.72 3.67 0.07 -0.37 1.43 -0.06 -0.59 118.68 123.55 2pga s LEU 6090Ca -0.12 -1.32 -0.29 0.00 -1.03 0.00 0.00 54.13 51.37 2pga s LEU 6090Cb -0.16 -1.63 -0.05 0.00 0.03 0.00 0.00 46.19 44.38 2pga s LEU 6090CO 0.02 -0.22 0.94 -0.60 0.23 0.00 0.00 176.35 176.72 2pga s ARG 6091N 1.18 4.64 -0.19 1.70 3.52 -0.20 -0.55 118.95 129.05 2pga s ARG 6091Ca -0.07 1.39 0.01 0.00 -0.13 0.00 0.00 55.73 56.93 2pga s ARG 6091Cb -0.20 -3.40 0.03 0.00 -1.56 0.00 0.00 34.95 29.83 2pga s ARG 6091CO -0.03 0.14 -0.14 -1.50 -0.81 0.00 0.00 175.30 172.96 2pga s ILE 6092N 0.29 1.80 0.21 4.11 -1.16 -1.19 -1.45 121.20 123.81 2pga s ILE 6092Ca 0.47 -0.97 0.02 0.00 -0.51 0.00 0.00 60.65 59.66 2pga s ILE 6092Cb -0.22 -1.76 -0.01 0.00 0.61 0.00 0.00 42.46 41.08 2pga s ILE 6092CO 0.28 0.32 0.06 0.61 -2.81 0.00 0.00 174.94 173.40 2pga n GLY 6093N 4.66 3.71 3.54 1.50 0.00 -0.01 -4.01 105.19 114.58 2pga n GLY 6093Ca -0.17 -2.07 -0.24 0.00 0.00 0.00 0.00 46.02 43.54 2pga n GLY 6093CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pga s THR 6094N -2.23 2.89 0.01 2.61 -4.23 -1.26 -1.59 115.64 111.84 2pga s THR 6094Ca 0.08 -2.10 -0.22 0.00 -1.18 0.00 0.00 61.69 58.27 2pga s THR 6094Cb 0.00 -2.51 0.05 0.00 1.34 0.00 0.00 72.50 71.38 2pga s THR 6094CO 0.06 -0.32 0.49 0.28 -0.54 0.00 0.00 174.62 174.59 2pga s THR 6095N -2.25 0.03 -0.26 3.99 -1.32 -0.43 -4.83 115.64 110.58 2pga s THR 6095Ca 0.29 -0.28 -0.11 0.00 -1.21 0.00 0.00 61.69 60.38 2pga s THR 6095Cb -0.06 -0.90 -0.05 0.00 -1.51 0.00 0.00 72.50 69.98 2pga s THR 6095CO 0.16 -0.15 0.21 -0.83 -2.21 0.00 0.00 174.62 171.80 2pga s GLY 6096N -1.66 1.95 0.41 6.08 0.00 -1.02 -0.65 107.32 112.43 2pga s GLY 6096Ca -0.08 -0.97 -0.24 0.00 0.00 0.00 0.00 44.72 43.43 2pga s GLY 6096CO 0.02 0.61 1.06 0.00 0.00 0.00 0.00 173.10 174.79 2pga s ALA 6097N 1.53 3.06 -0.15 3.20 0.00 0.48 -0.90 121.76 128.98 2pga s ALA 6097Ca 0.09 0.72 0.01 0.00 0.00 0.00 0.00 51.96 52.79 2pga s ALA 6097Cb -0.15 -3.28 0.03 0.00 0.00 0.00 0.00 23.12 19.71 2pga s ALA 6097CO 0.09 -0.28 0.81 0.44 0.00 0.00 0.00 175.76 176.82 2pga n ILE 6098N -0.18 0.54 -4.29 0.00 -5.35 -0.14 0.19 119.36 110.13 2pga n ILE 6098Ca 0.06 -0.77 -0.35 0.00 -0.27 0.00 0.00 62.75 61.42 2pga n ILE 6098Cb 0.50 0.75 -0.09 0.00 -1.74 0.00 0.00 39.64 39.05 2pga n ILE 6098CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2pga s GLN 6099N -0.59 3.17 0.50 6.28 -1.52 -1.24 -4.70 119.66 121.55 2pga s GLN 6099Ca 0.02 -0.38 0.24 0.00 -1.95 0.00 0.00 55.36 53.29 2pga s GLN 6099Cb 0.01 -2.88 1.34 0.00 -0.22 0.00 0.00 33.01 31.26 2pga s GLN 6099CO 0.02 0.64 2.05 -1.00 -0.25 0.00 0.00 175.29 176.76 2pga h PRO 6100N 5.38 0.00 -0.63 2.91 0.13 -1.96 -2.92 132.00 134.90 2pga h PRO 6100Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2pga h PRO 6100Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2pga h PRO 6100CO 0.57 0.14 0.00 0.72 -0.23 0.00 0.00 178.00 179.19 2pga n HIS 6101N -3.83 1.03 -3.03 1.56 8.25 -1.26 -4.86 115.22 113.08 2pga n HIS 6101Ca -0.02 -0.54 -0.40 0.00 -0.26 0.00 0.00 57.72 56.50 2pga n HIS 6101Cb 0.24 -0.08 -0.05 0.00 1.12 0.00 0.00 29.99 31.22 2pga n HIS 6101CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2pga s ILE 6102N -1.29 4.99 0.07 1.59 1.01 -1.11 -5.05 121.20 121.42 2pga s ILE 6102Ca 0.45 1.40 -0.13 0.00 0.00 0.00 0.00 60.65 62.37 2pga s ILE 6102Cb 0.26 -4.03 -0.06 0.00 0.01 0.00 0.00 42.46 38.64 2pga s ILE 6102CO 0.27 0.14 0.45 0.21 0.00 0.00 0.00 174.94 176.01 2pga s ASN 6103N 1.03 6.75 0.20 3.58 2.47 -1.26 -4.88 114.94 122.84 2pga s ASN 6103Ca 0.34 0.93 -0.32 0.00 0.42 0.00 0.00 52.86 54.24 2pga s ASN 6103Cb -0.17 -2.23 -0.15 0.00 -1.45 0.00 0.00 41.25 37.25 2pga s ASN 6103CO 0.14 0.21 1.20 0.52 -3.72 0.00 0.00 177.10 175.45 2pga n VAL 6104N 1.19 1.05 0.00 -5.21 0.31 -1.26 -1.05 118.33 113.36 2pga n VAL 6104Ca -0.09 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 2pga n VAL 6104Cb 0.52 -1.02 0.00 0.00 -0.91 0.00 0.00 33.84 32.43 2pga n VAL 6104CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2pga n GLY 6105N 1.94 3.35 3.72 2.92 0.00 0.01 -4.96 105.19 112.16 2pga n GLY 6105Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 2pga n GLY 6105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pga s ASP 6106N -0.61 4.25 -0.21 1.61 -0.00 -0.22 -4.64 116.67 116.85 2pga s ASP 6106Ca 0.00 2.56 -0.09 0.00 -0.00 0.00 0.00 52.55 55.02 2pga s ASP 6106Cb 0.00 -2.61 -0.04 0.00 -0.00 0.00 0.00 42.92 40.27 2pga s ASP 6106CO 0.00 -2.24 0.10 -0.69 -0.00 0.00 0.00 175.17 172.34 2pga s VAL 6107N -1.62 4.95 -0.20 -1.27 1.01 -0.15 -1.64 120.40 121.48 2pga s VAL 6107Ca 0.80 0.03 -0.03 0.00 0.00 0.00 0.00 61.98 62.78 2pga s VAL 6107Cb -0.35 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 2pga s VAL 6107CO 0.43 0.41 -0.07 -0.76 0.00 0.00 0.00 175.10 175.11 2pga s LEU 6108N 0.76 2.84 -0.21 3.92 1.43 0.13 -0.86 118.68 126.69 2pga s LEU 6108Ca 0.05 -0.38 -0.08 0.00 -1.03 0.00 0.00 54.13 52.70 2pga s LEU 6108Cb -0.13 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 2pga s LEU 6108CO 0.02 0.03 0.08 -0.69 0.23 0.00 0.00 176.35 176.02 2pga s VAL 6109N 1.16 4.76 -0.23 -1.59 1.01 -0.04 -1.20 120.40 124.27 2pga s VAL 6109Ca 0.02 -0.03 -0.16 0.00 0.00 0.00 0.00 61.98 61.80 2pga s VAL 6109Cb -0.14 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 2pga s VAL 6109CO -0.02 0.41 0.42 -0.89 0.00 0.00 0.00 175.10 175.02 2pga s THR 6110N 0.80 5.16 0.07 3.92 2.01 -0.72 -1.71 115.64 125.18 2pga s THR 6110Ca 0.04 0.71 -0.09 0.00 0.31 0.00 0.00 61.69 62.66 2pga s THR 6110Cb -0.13 -3.74 -0.29 0.00 0.01 0.00 0.00 72.50 68.35 2pga s THR 6110CO 0.02 0.19 1.13 0.71 -0.69 0.00 0.00 174.62 175.98 2pga h THR 6111N 5.20 1.40 -2.29 -0.82 1.35 -1.18 -3.41 112.91 113.17 2pga h THR 6111Ca -0.33 -2.78 0.11 0.00 -0.55 0.00 0.00 66.41 62.85 2pga h THR 6111Cb 1.16 2.84 -0.15 0.00 -1.73 0.00 0.00 68.15 70.27 2pga h THR 6111CO 0.70 0.83 0.49 0.00 -0.25 0.00 0.00 175.52 177.28 2pga s ALA 6112N -2.79 -1.82 0.05 6.62 0.00 -1.26 -0.66 121.76 121.91 2pga s ALA 6112Ca -0.06 0.97 0.09 0.00 0.00 0.00 0.00 51.96 52.96 2pga s ALA 6112Cb 0.06 0.43 -0.03 0.00 0.00 0.00 0.00 23.12 23.58 2pga s ALA 6112CO 0.90 -0.70 -0.26 -1.12 0.00 0.00 0.00 175.76 174.58 2pga s SER 6113N -2.50 3.11 -0.11 0.00 0.01 0.02 -1.85 113.70 112.39 2pga s SER 6113Ca 0.05 -0.60 -0.30 0.00 1.31 0.00 0.00 55.95 56.42 2pga s SER 6113Cb -0.01 -0.27 -0.03 0.00 0.21 0.00 0.00 66.02 65.91 2pga s SER 6113CO -0.09 0.24 1.42 -0.69 0.41 0.00 0.00 173.24 174.54 2pga s VAL 6114N -0.83 3.96 -1.25 3.43 1.01 0.11 -4.33 120.40 122.49 2pga s VAL 6114Ca 0.11 1.18 -0.18 0.00 0.00 0.00 0.00 61.98 63.10 2pga s VAL 6114Cb -0.10 -3.76 0.09 0.00 0.00 0.00 0.00 36.38 32.60 2pga s VAL 6114CO 0.02 -0.09 1.65 -0.13 0.00 0.00 0.00 175.10 176.55 2pga s ARG 6115N 3.58 3.96 -0.43 2.72 0.52 -1.26 -1.27 118.95 126.77 2pga s ARG 6115Ca 0.63 -2.01 0.03 0.00 -0.52 0.00 0.00 55.73 53.86 2pga s ARG 6115Cb -0.27 -5.43 0.61 0.00 0.52 0.00 0.00 34.95 30.37 2pga s ARG 6115CO 0.22 -2.17 1.86 1.28 0.02 0.00 0.00 175.30 176.51 2pga n LEU 6116N 7.97 6.53 -4.74 2.53 4.77 -0.37 -4.94 117.00 128.75 2pga n LEU 6116Ca 0.45 -3.49 -0.32 0.00 -0.03 0.00 0.00 56.01 52.61 2pga n LEU 6116Cb 0.46 -0.83 -0.08 0.00 -2.33 0.00 0.00 43.42 40.64 2pga n LEU 6116CO 0.73 1.03 -0.26 1.51 -1.33 0.00 0.00 177.39 179.07 2pga s ASP 6117N -1.15 4.07 -0.12 -1.43 3.84 -1.21 -1.61 116.67 119.06 2pga s ASP 6117Ca 0.53 -1.62 0.10 0.00 -0.00 0.00 0.00 52.55 51.57 2pga s ASP 6117Cb 0.45 0.39 -0.14 0.00 -1.38 0.00 0.00 42.92 42.24 2pga s ASP 6117CO 0.10 -0.80 0.03 0.61 -0.00 0.00 0.00 175.17 175.11 2pga n GLY 6118N -1.22 -0.56 0.23 2.12 0.00 -1.26 -4.68 105.19 99.82 2pga n GLY 6118Ca -0.17 -0.19 -0.03 0.00 0.00 0.00 0.00 46.02 45.63 2pga n GLY 6118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pga h ALA 6119N 0.55 1.12 -0.75 4.61 0.00 -1.98 -2.61 119.26 120.20 2pga h ALA 6119Ca -0.32 -0.35 0.11 0.00 0.00 0.00 0.00 54.91 54.35 2pga h ALA 6119Cb 1.71 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.34 2pga h ALA 6119CO 0.01 0.55 0.50 0.66 0.00 0.00 0.00 179.25 180.97 2pga h SER 6120N 0.37 0.53 0.66 0.00 4.64 -1.85 0.58 113.55 118.48 2pga h SER 6120Ca 0.05 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2pga h SER 6120Cb 0.69 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2pga h SER 6120CO 0.05 0.30 0.00 -0.07 -0.87 0.00 0.00 176.83 176.24 2pga h LEU 6121N 0.58 0.00 0.00 5.97 3.38 -1.58 -0.84 115.31 122.82 2pga h LEU 6121Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 2pga h LEU 6121Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2pga h LEU 6121CO -0.13 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.81 2pga n HIS 6122N -2.38 0.00 -0.01 1.13 8.25 0.19 -3.97 115.22 118.43 2pga n HIS 6122Ca 0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.46 2pga n HIS 6122Cb 0.21 -0.28 -0.01 0.00 1.12 0.00 0.00 29.99 31.04 2pga n HIS 6122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2pga n PHE 6123N -1.28 0.00 -3.68 4.41 3.01 -0.43 -5.08 117.46 114.42 2pga n PHE 6123Ca 0.14 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.46 2pga n PHE 6123Cb 0.23 -0.07 -0.08 0.00 -0.01 0.00 0.00 39.48 39.54 2pga n PHE 6123CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2pga s ALA 6124N -2.04 -1.22 0.98 4.37 0.00 -0.56 -5.01 121.76 118.29 2pga s ALA 6124Ca -0.02 1.04 -0.11 0.00 0.00 0.00 0.00 51.96 52.87 2pga s ALA 6124Cb 0.01 -0.34 0.18 0.00 0.00 0.00 0.00 23.12 22.97 2pga s ALA 6124CO 0.05 -0.28 1.10 -1.25 0.00 0.00 0.00 175.76 175.38 2pga s PRO 6125N -0.59 0.49 0.54 0.00 0.04 -1.26 -3.91 135.00 130.31 2pga s PRO 6125Ca -0.07 1.19 0.23 0.00 0.04 0.00 0.00 61.00 62.39 2pga s PRO 6125Cb -0.03 -1.69 1.51 0.00 0.04 0.00 0.00 34.50 34.32 2pga s PRO 6125CO 0.04 -2.87 2.17 1.98 0.04 0.00 0.00 177.00 178.36 2pga h MET 6126N -2.03 0.00 0.00 4.56 4.05 -1.94 -1.50 114.93 118.07 2pga h MET 6126Ca -0.50 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 58.92 2pga h MET 6126Cb 1.29 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.09 2pga h MET 6126CO 0.47 0.03 -0.01 0.93 0.23 0.00 0.00 176.91 178.56 2pga h GLU 6127N 0.00 0.00 -6.61 0.39 3.07 -2.03 -3.43 114.58 105.98 2pga h GLU 6127Ca -0.00 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.33 2pga h GLU 6127Cb 0.07 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.00 2pga h GLU 6127CO 0.00 0.01 0.60 0.12 -1.40 0.00 0.00 179.01 178.35 2pga s PHE 6128N -4.71 3.37 0.13 4.33 2.19 -0.57 -4.99 117.98 117.74 2pga s PHE 6128Ca -0.05 1.29 -0.30 0.00 0.33 0.00 0.00 56.93 58.20 2pga s PHE 6128Cb 0.15 -3.50 -0.07 0.00 -1.31 0.00 0.00 43.02 38.30 2pga s PHE 6128CO 0.58 -1.52 1.13 -1.25 1.83 0.00 0.00 175.22 175.99 2pga s PRO 6129N 0.28 4.54 -1.39 10.12 0.04 -1.26 -4.93 135.00 142.40 2pga s PRO 6129Ca 0.57 1.72 -0.15 0.00 0.04 0.00 0.00 61.00 63.18 2pga s PRO 6129Cb -0.33 -3.31 0.01 0.00 0.04 0.00 0.00 34.50 30.90 2pga s PRO 6129CO 0.34 -0.04 2.25 0.00 0.04 0.00 0.00 177.00 179.59 2pga n ALA 6130N 2.97 5.44 -2.89 8.56 0.00 -1.26 -4.73 120.51 128.60 2pga n ALA 6130Ca 0.05 -3.76 -0.35 0.00 0.00 0.00 0.00 53.44 49.37 2pga n ALA 6130Cb 0.46 -3.53 -0.05 0.00 0.00 0.00 0.00 19.45 16.33 2pga n ALA 6130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2pga s VAL 6131N 3.33 5.47 0.54 0.00 0.11 -1.26 -0.80 120.40 127.79 2pga s VAL 6131Ca 0.50 0.02 -0.16 0.00 -2.93 0.00 0.00 61.98 59.41 2pga s VAL 6131Cb 0.14 -3.48 -0.07 0.00 -1.53 0.00 0.00 36.38 31.45 2pga s VAL 6131CO -0.06 0.46 1.00 0.00 -3.33 0.00 0.00 175.10 173.18 2pga s ALA 6132N -1.19 3.00 0.33 1.54 0.00 0.17 -4.69 121.76 120.92 2pga s ALA 6132Ca 0.22 0.20 -0.29 0.00 0.00 0.00 0.00 51.96 52.09 2pga s ALA 6132Cb -0.12 -3.14 -0.10 0.00 0.00 0.00 0.00 23.12 19.75 2pga s ALA 6132CO 0.12 -0.40 1.36 0.34 0.00 0.00 0.00 175.76 177.19 2pga s ASP 6133N -3.11 6.66 0.15 0.00 -1.08 -0.09 -4.93 116.67 114.27 2pga s ASP 6133Ca 0.59 2.77 -0.14 0.00 -0.52 0.00 0.00 52.55 55.25 2pga s ASP 6133Cb -0.11 -2.65 0.02 0.00 -1.46 0.00 0.00 42.92 38.72 2pga s ASP 6133CO 0.34 -0.63 1.67 0.15 0.52 0.00 0.00 175.17 177.22 2pga h PHE 6134N 3.51 0.77 -0.64 -5.34 3.57 -1.96 -1.80 116.94 115.06 2pga h PHE 6134Ca -0.49 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 60.91 2pga h PHE 6134Cb 1.23 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.71 2pga h PHE 6134CO 0.56 0.68 0.33 0.00 -2.23 0.00 0.00 178.31 177.65 2pga h ALA 6135N 1.00 0.83 -0.20 2.41 0.00 -1.96 0.00 119.26 121.35 2pga h ALA 6135Ca 0.15 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2pga h ALA 6135Cb 0.27 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2pga h ALA 6135CO -0.00 0.37 0.04 0.00 0.00 0.00 0.00 179.25 179.66 2pga h THR 6137N 0.13 1.19 -0.14 0.00 2.02 -1.19 -0.53 112.91 114.40 2pga h THR 6137Ca 0.06 -0.38 -0.00 0.00 0.77 0.00 0.00 66.41 66.86 2pga h THR 6137Cb 0.29 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 2pga h THR 6137CO 0.00 0.19 0.08 0.74 0.37 0.00 0.00 175.52 176.90 2pga h THR 6138N 0.93 1.08 -0.69 3.16 2.02 -0.84 -0.48 112.91 118.10 2pga h THR 6138Ca 0.25 -0.22 0.07 0.00 0.77 0.00 0.00 66.41 67.28 2pga h THR 6138Cb -0.07 0.99 -0.06 0.00 -1.74 0.00 0.00 68.15 67.27 2pga h THR 6138CO -0.05 0.08 0.37 0.00 0.37 0.00 0.00 175.52 176.28 2pga h ALA 6139N 0.99 0.93 -0.48 6.16 0.00 -0.67 0.89 119.26 127.07 2pga h ALA 6139Ca 0.05 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2pga h ALA 6139Cb 0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2pga h ALA 6139CO -0.01 0.01 0.20 -0.07 0.00 0.00 0.00 179.25 179.38 2pga h LEU 6140N 0.65 0.65 -0.30 0.00 3.38 -0.77 0.36 115.31 119.30 2pga h LEU 6140Ca 0.32 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 2pga h LEU 6140Cb 0.26 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2pga h LEU 6140CO -0.22 0.64 -0.03 0.58 0.09 0.00 0.00 178.44 179.50 2pga h VAL 6141N 0.63 1.27 -0.43 1.22 2.07 -0.58 -1.34 116.25 119.08 2pga h VAL 6141Ca 0.16 -1.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.61 2pga h VAL 6141Cb 0.18 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 2pga h VAL 6141CO -0.01 0.32 -0.03 -0.08 0.02 0.00 0.00 177.57 177.79 2pga h GLU 6142N 0.32 0.71 -0.33 1.57 4.57 -0.77 -0.79 114.58 119.86 2pga h GLU 6142Ca 0.08 -0.19 -0.14 0.00 -1.18 0.00 0.00 59.36 57.93 2pga h GLU 6142Cb 0.48 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 2pga h GLU 6142CO 0.02 0.75 -0.36 0.00 -1.18 0.00 0.00 179.01 178.24 2pga h ALA 6143N 1.30 0.75 -0.55 2.92 0.00 -0.77 -1.39 119.26 121.53 2pga h ALA 6143Ca 0.13 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 2pga h ALA 6143Cb 0.46 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2pga h ALA 6143CO 0.02 0.66 -0.02 0.00 0.00 0.00 0.00 179.25 179.91 2pga h ALA 6144N 0.97 0.92 -0.79 0.00 0.00 -0.79 -2.62 119.26 116.95 2pga h ALA 6144Ca 0.06 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 2pga h ALA 6144Cb 0.90 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 2pga h ALA 6144CO 0.08 0.64 0.36 -0.22 0.00 0.00 0.00 179.25 180.12 2pga h LYS 6145N 0.88 1.13 0.00 0.00 3.64 -0.97 -0.90 116.57 120.36 2pga h LYS 6145Ca 0.16 -0.17 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 2pga h LYS 6145Cb 0.55 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 2pga h LYS 6145CO 0.03 0.88 -0.19 0.66 -2.27 0.00 0.00 179.45 178.57 2pga h SER 6146N 1.12 0.00 -0.01 4.20 4.64 -0.89 -2.83 113.55 119.77 2pga h SER 6146Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 2pga h SER 6146Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2pga h SER 6146CO -0.03 0.19 -0.25 2.30 -0.87 0.00 0.00 176.83 178.16 2pga n ILE 6147N -3.31 0.00 -2.42 0.95 -5.35 -1.07 -5.00 119.36 103.16 2pga n ILE 6147Ca 0.01 -0.37 -0.15 0.00 -0.27 0.00 0.00 62.75 61.97 2pga n ILE 6147Cb 0.43 1.24 0.00 0.00 -1.74 0.00 0.00 39.64 39.57 2pga n ILE 6147CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2pga n GLY 6148N 1.12 -0.20 3.80 3.28 0.00 -0.38 -5.00 105.19 107.80 2pga n GLY 6148Ca 0.08 -0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 2pga n GLY 6148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pga s ALA 6149N -2.79 2.81 -0.21 4.61 0.00 -0.96 -4.98 121.76 120.24 2pga s ALA 6149Ca 0.06 0.51 -0.29 0.00 0.00 0.00 0.00 51.96 52.24 2pga s ALA 6149Cb -0.03 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 2pga s ALA 6149CO 0.07 -0.55 1.43 0.99 0.00 0.00 0.00 175.76 177.70 2pga s THR 6150N -2.20 3.98 0.01 0.00 2.01 -1.26 -4.82 115.64 113.35 2pga s THR 6150Ca 0.66 1.13 0.04 0.00 0.31 0.00 0.00 61.69 63.83 2pga s THR 6150Cb -0.16 -3.90 -0.01 0.00 0.01 0.00 0.00 72.50 68.44 2pga s THR 6150CO 0.28 -0.29 -0.12 -0.89 -0.69 0.00 0.00 174.62 172.92 2pga s THR 6151N 4.37 0.92 0.04 -0.82 2.01 -1.26 -0.98 115.64 119.92 2pga s THR 6151Ca 0.62 -0.64 0.06 0.00 0.31 0.00 0.00 61.69 62.05 2pga s THR 6151Cb -0.22 -0.80 -0.02 0.00 0.01 0.00 0.00 72.50 71.47 2pga s THR 6151CO 0.23 0.15 -0.19 -1.00 -0.69 0.00 0.00 174.62 173.13 2pga s HIS 6152N -0.47 1.63 -0.09 4.92 3.76 -0.04 -4.97 115.29 120.03 2pga s HIS 6152Ca 0.03 -0.36 0.02 0.00 -0.15 0.00 0.00 55.06 54.60 2pga s HIS 6152Cb -0.05 -0.97 0.01 0.00 1.11 0.00 0.00 32.58 32.67 2pga s HIS 6152CO 0.00 0.07 -0.16 0.08 -0.85 0.00 0.00 174.74 173.88 2pga s VAL 6153N -0.80 1.53 -2.81 -0.90 1.01 -1.26 -0.86 120.40 116.32 2pga s VAL 6153Ca 0.06 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.35 2pga s VAL 6153Cb -0.08 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.92 2pga s VAL 6153CO 0.02 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.17 2pga n GLY 6154N 3.93 -0.59 3.84 4.51 0.00 -0.69 -4.96 105.19 111.23 2pga n GLY 6154Ca -0.20 -0.69 -0.35 0.00 0.00 0.00 0.00 46.02 44.77 2pga n GLY 6154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pga s VAL 6155N -3.57 4.85 -0.05 1.61 1.01 -1.26 -0.58 120.40 122.41 2pga s VAL 6155Ca 0.00 0.85 0.04 0.00 0.00 0.00 0.00 61.98 62.87 2pga s VAL 6155Cb 0.00 -3.74 -0.00 0.00 0.00 0.00 0.00 36.38 32.63 2pga s VAL 6155CO 0.00 0.26 -0.18 -0.89 0.00 0.00 0.00 175.10 174.29 2pga s THR 6156N -1.44 1.51 -0.20 3.92 2.01 -0.77 -0.99 115.64 119.68 2pga s THR 6156Ca 0.37 -0.75 -0.24 0.00 0.31 0.00 0.00 61.69 61.38 2pga s THR 6156Cb -0.15 -1.30 -0.01 0.00 0.01 0.00 0.00 72.50 71.04 2pga s THR 6156CO 0.19 0.43 0.80 0.00 -0.69 0.00 0.00 174.62 175.35 2pga s ALA 6157N 0.09 3.57 -0.30 7.40 0.00 0.38 0.05 121.76 132.94 2pga s ALA 6157Ca -0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 51.96 51.81 2pga s ALA 6157Cb -0.12 -3.21 0.05 0.00 0.00 0.00 0.00 23.12 19.83 2pga s ALA 6157CO 0.03 -0.74 0.01 0.45 0.00 0.00 0.00 175.76 175.51 2pga s SER 6158N 1.23 4.92 -0.06 0.00 0.15 -0.40 -1.48 113.70 118.07 2pga s SER 6158Ca 0.36 -1.25 -0.00 0.00 0.70 0.00 0.00 55.95 55.76 2pga s SER 6158Cb -0.16 -1.73 -0.03 0.00 -1.71 0.00 0.00 66.02 62.39 2pga s SER 6158CO 0.10 -0.26 -0.02 -0.55 1.20 0.00 0.00 173.24 173.71 2pga s SER 6159N 1.27 5.07 0.00 5.45 0.15 0.64 -1.24 113.70 125.04 2pga s SER 6159Ca -0.05 0.06 0.18 0.00 0.70 0.00 0.00 55.95 56.85 2pga s SER 6159Cb -0.20 -1.36 0.85 0.00 -1.71 0.00 0.00 66.02 63.60 2pga s SER 6159CO -0.01 0.35 1.56 0.47 1.20 0.00 0.00 173.24 176.81 2pga n ASP 6160N 1.96 0.00 -4.26 5.45 10.43 -0.63 -4.29 116.55 125.20 2pga n ASP 6160Ca -0.17 0.23 -0.18 0.00 2.57 0.00 0.00 54.79 57.23 2pga n ASP 6160Cb 0.53 -0.38 -0.11 0.00 1.84 0.00 0.00 41.12 43.01 2pga n ASP 6160CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2pga s THR 6161N -2.75 1.42 0.06 -3.53 -4.23 -1.26 -5.01 115.64 100.34 2pga s THR 6161Ca 0.14 -1.78 -0.01 0.00 -1.18 0.00 0.00 61.69 58.86 2pga s THR 6161Cb 0.12 -1.61 -0.27 0.00 1.34 0.00 0.00 72.50 72.08 2pga s THR 6161CO 0.30 -0.42 1.07 0.15 -0.54 0.00 0.00 174.62 175.18 2pga h PHE 6162N 3.42 0.37 0.00 3.99 3.04 -1.97 -3.39 116.94 122.40 2pga h PHE 6162Ca -0.40 -0.27 0.00 0.00 3.98 0.00 0.00 57.97 61.28 2pga h PHE 6162Cb 1.20 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.69 2pga h PHE 6162CO 0.66 1.24 0.00 0.66 -2.02 0.00 0.00 178.31 178.85 2pga n TYR 6163N -3.46 0.00 0.05 0.41 4.02 -1.26 -4.30 117.16 112.62 2pga n TYR 6163Ca -0.09 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.77 2pga n TYR 6163Cb 1.01 0.00 0.23 0.00 -0.02 0.00 0.00 39.34 40.57 2pga n TYR 6163CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2pga h PRO 6164N 0.00 0.39 0.00 -0.72 0.13 -1.88 -0.69 132.00 129.23 2pga h PRO 6164Ca 0.00 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 2pga h PRO 6164Cb 0.00 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.11 2pga h PRO 6164CO 0.00 0.64 0.00 0.41 -0.23 0.00 0.00 178.00 178.82 2pga n GLY 6165N -0.40 -1.23 1.11 1.56 0.00 -1.26 -0.69 105.19 104.28 2pga n GLY 6165Ca -0.01 0.10 0.05 0.00 0.00 0.00 0.00 46.02 46.17 2pga n GLY 6165CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2pga n GLN 6166N -2.25 2.98 -4.19 1.61 6.02 -0.80 -4.90 117.38 115.85 2pga n GLN 6166Ca 0.02 -2.94 -0.31 0.00 -0.01 0.00 0.00 57.00 53.76 2pga n GLN 6166Cb 0.21 -1.91 -0.06 0.00 1.02 0.00 0.00 30.24 29.50 2pga n GLN 6166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2pga n GLU 6167N -0.49 -2.16 -3.07 -1.09 2.13 0.14 -4.92 120.64 111.17 2pga n GLU 6167Ca 0.26 0.26 -0.40 0.00 0.66 0.00 0.00 57.16 57.94 2pga n GLU 6167Cb 0.99 -4.30 -0.05 0.00 0.27 0.00 0.00 31.44 28.35 2pga n GLU 6167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2pga s ARG 6168N -6.99 4.42 -0.00 5.31 0.52 -0.33 -4.97 118.95 116.91 2pga s ARG 6168Ca 0.20 0.87 0.14 0.00 -0.52 0.00 0.00 55.73 56.43 2pga s ARG 6168Cb -0.11 -3.41 -0.17 0.00 0.52 0.00 0.00 34.95 31.77 2pga s ARG 6168CO 0.95 0.16 0.57 0.66 0.02 0.00 0.00 175.30 177.66 2pga n TYR 6169N 3.42 0.00 -1.98 -0.53 4.02 -1.26 -4.36 117.16 116.46 2pga n TYR 6169Ca -0.03 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.44 2pga n TYR 6169Cb 0.51 -0.05 0.00 0.00 -0.02 0.00 0.00 39.34 39.78 2pga n TYR 6169CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2pga n ASP 6170N -1.44 4.35 -4.03 7.72 8.00 -1.26 -4.12 116.55 125.77 2pga n ASP 6170Ca 0.02 -2.94 -0.17 0.00 0.71 0.00 0.00 54.79 52.41 2pga n ASP 6170Cb 0.25 -1.60 -0.09 0.00 -0.02 0.00 0.00 41.12 39.66 2pga n ASP 6170CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2pga s THR 6171N 2.19 0.29 0.20 -3.53 -4.23 -1.26 -5.01 115.64 104.29 2pga s THR 6171Ca 0.44 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.82 2pga s THR 6171Cb 0.12 -2.53 0.17 0.00 1.34 0.00 0.00 72.50 71.60 2pga s THR 6171CO -0.05 0.00 1.66 0.22 -0.54 0.00 0.00 174.62 175.91 2pga h TYR 6172N 2.30 -0.14 0.00 3.99 5.03 -1.99 -2.86 116.97 123.31 2pga h TYR 6172Ca -0.34 0.04 -0.19 0.00 2.58 0.00 0.00 58.73 60.83 2pga h TYR 6172Cb 1.25 0.14 -0.03 0.00 1.55 0.00 0.00 36.73 39.64 2pga h TYR 6172CO 0.87 -0.18 -1.30 0.66 -1.32 0.00 0.00 178.16 176.89 2pga h SER 6173N 0.07 0.00 -0.06 -2.11 4.64 -1.97 -3.47 113.55 110.64 2pga h SER 6173Ca 0.27 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.56 2pga h SER 6173Cb 0.42 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 2pga h SER 6173CO -0.50 0.69 -0.03 0.61 -0.87 0.00 0.00 176.83 176.73 2pga n GLY 6174N 1.40 0.25 3.60 -0.77 0.00 -1.08 -4.98 105.19 103.60 2pga n GLY 6174Ca -0.09 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 2pga n GLY 6174CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2pga s ARG 6175N -1.68 2.16 -0.08 1.61 1.70 -1.26 -4.91 118.95 116.49 2pga s ARG 6175Ca 0.00 -1.20 0.02 0.00 -0.47 0.00 0.00 55.73 54.08 2pga s ARG 6175Cb 0.00 -2.23 0.02 0.00 -0.57 0.00 0.00 34.95 32.17 2pga s ARG 6175CO 0.00 0.45 -0.11 0.08 -1.08 0.00 0.00 175.30 174.64 2pga s VAL 6176N -1.65 1.14 0.68 4.99 1.01 -1.26 -4.90 120.40 120.40 2pga s VAL 6176Ca 0.25 -0.44 -0.17 0.00 0.00 0.00 0.00 61.98 61.62 2pga s VAL 6176Cb -0.09 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 2pga s VAL 6176CO 0.16 0.36 0.84 0.55 0.00 0.00 0.00 175.10 177.01 2pga n VAL 6177N 4.12 2.84 -0.27 2.92 3.14 -1.26 -4.51 118.33 125.31 2pga n VAL 6177Ca -0.20 -0.43 0.08 0.00 -2.96 0.00 0.00 64.34 60.83 2pga n VAL 6177Cb 0.51 -1.00 0.20 0.00 -1.06 0.00 0.00 33.84 32.49 2pga n VAL 6177CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 2pga h ARG 6178N -0.04 0.14 -0.94 1.45 2.43 -2.00 -0.34 114.38 115.08 2pga h ARG 6178Ca -0.47 -0.01 0.19 0.00 -0.81 0.00 0.00 59.98 58.88 2pga h ARG 6178Cb 1.35 -0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 30.79 2pga h ARG 6178CO 0.47 0.09 0.60 -0.09 -1.51 0.00 0.00 179.97 179.54 2pga h ARG 6179N 0.14 0.53 -0.01 0.20 2.43 -2.02 -2.67 114.38 112.98 2pga h ARG 6179Ca 0.46 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.60 2pga h ARG 6179Cb 0.85 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 2pga h ARG 6179CO -0.66 0.35 -0.40 1.19 -1.51 0.00 0.00 179.97 178.94 2pga n PHE 6180N -4.58 0.00 -2.06 2.20 3.01 -0.19 -4.75 117.46 111.09 2pga n PHE 6180Ca 0.20 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.24 2pga n PHE 6180Cb 0.64 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.08 2pga n PHE 6180CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2pga s LYS 6181N -2.08 4.23 0.00 -1.08 -0.14 -0.87 -1.63 119.74 118.17 2pga s LYS 6181Ca 0.14 2.16 0.00 0.00 -1.36 0.00 0.00 55.97 56.91 2pga s LYS 6181Cb 0.14 -3.63 0.00 0.00 -1.68 0.00 0.00 37.83 32.66 2pga s LYS 6181CO 0.46 -0.68 0.00 0.41 -0.76 0.00 0.00 175.35 174.78 2pga n GLY 6182N 3.87 0.51 0.18 -3.33 0.00 -1.26 -4.93 105.19 100.23 2pga n GLY 6182Ca 0.15 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.02 2pga n GLY 6182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2pga h SER 6183N 0.00 0.69 -0.51 1.61 4.64 -1.60 -2.99 113.55 115.39 2pga h SER 6183Ca 0.00 -0.51 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 2pga h SER 6183Cb 0.09 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 61.94 2pga h SER 6183CO 0.00 1.30 0.33 -0.03 -0.87 0.00 0.00 176.83 177.56 2pga h MET 6184N 0.34 0.68 -0.75 4.77 -1.53 -1.92 -0.83 114.93 115.69 2pga h MET 6184Ca -0.08 -0.05 0.01 0.00 -3.44 0.00 0.00 59.70 56.15 2pga h MET 6184Cb 1.52 -0.15 -0.04 0.00 -0.55 0.00 0.00 31.60 32.38 2pga h MET 6184CO 0.16 0.46 0.50 1.49 0.14 0.00 0.00 176.91 179.66 2pga h GLU 6185N 0.69 0.98 0.12 0.39 4.22 -1.96 0.60 114.58 119.61 2pga h GLU 6185Ca 0.19 -0.06 -0.01 0.00 0.08 0.00 0.00 59.36 59.56 2pga h GLU 6185Cb -0.06 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 28.97 2pga h GLU 6185CO -0.04 0.65 -0.06 0.93 -2.18 0.00 0.00 179.01 178.31 2pga h GLU 6186N 1.01 -0.15 -0.95 1.92 5.08 -1.22 -0.58 114.58 119.69 2pga h GLU 6186Ca 0.28 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.66 2pga h GLU 6186Cb -0.10 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.13 2pga h GLU 6186CO -0.06 0.09 0.63 -1.49 -1.00 0.00 0.00 179.01 177.17 2pga h TRP 6187N -0.38 1.19 -0.35 4.33 -0.00 -0.87 -1.42 115.95 118.45 2pga h TRP 6187Ca -0.02 0.03 -0.00 0.00 -0.00 0.00 0.00 58.89 58.90 2pga h TRP 6187Cb 0.31 -0.40 -0.02 0.00 -0.00 0.00 0.00 29.16 29.05 2pga h TRP 6187CO -0.00 0.74 0.21 0.37 -0.00 0.00 0.00 178.44 179.76 2pga h GLN 6188N 1.28 0.47 0.00 0.49 4.15 -0.72 -0.96 115.11 119.81 2pga h GLN 6188Ca 0.35 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.71 2pga h GLN 6188Cb -0.13 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 27.46 2pga h GLN 6188CO -0.08 0.34 -0.10 0.00 -1.93 0.00 0.00 178.83 177.06 2pga h ALA 6189N 1.10 1.78 -0.09 3.38 0.00 -0.60 -1.54 119.26 123.27 2pga h ALA 6189Ca 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2pga h ALA 6189Cb -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2pga h ALA 6189CO -0.02 0.13 0.00 -1.33 0.00 0.00 0.00 179.25 178.02 2pga n MET 6190N -4.34 1.48 -0.76 0.00 2.81 -0.58 -4.91 117.12 110.82 2pga n MET 6190Ca -0.03 -0.71 0.00 0.00 -1.81 0.00 0.00 57.70 55.15 2pga n MET 6190Cb 0.18 -1.38 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 2pga n MET 6190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2pga n GLY 6191N 1.03 0.72 3.76 3.03 0.00 -0.58 -5.01 105.19 108.14 2pga n GLY 6191Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2pga n GLY 6191CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pga s VAL 6192N -2.58 2.12 -0.00 1.61 1.01 -0.45 -4.64 120.40 117.47 2pga s VAL 6192Ca 0.00 0.11 -0.00 0.00 0.00 0.00 0.00 61.98 62.09 2pga s VAL 6192Cb 0.00 -3.07 -0.26 0.00 0.00 0.00 0.00 36.38 33.05 2pga s VAL 6192CO 0.00 0.02 0.82 0.24 0.00 0.00 0.00 175.10 176.19 2pga h MET 6193N 3.96 0.19 -2.38 2.72 0.00 -1.39 -3.42 114.93 114.61 2pga h MET 6193Ca -0.49 -0.33 0.15 0.00 0.00 0.00 0.00 59.70 59.03 2pga h MET 6193Cb 1.23 0.12 -0.10 0.00 0.00 0.00 0.00 31.60 32.85 2pga h MET 6193CO 0.72 1.02 0.46 0.54 0.00 0.00 0.00 176.91 179.65 2pga s ASN 6194N -6.83 -0.24 -0.04 1.22 4.22 -1.26 -0.96 114.94 111.04 2pga s ASN 6194Ca -0.09 -0.30 0.05 0.00 -2.14 0.00 0.00 52.86 50.38 2pga s ASN 6194Cb 0.07 0.48 -0.02 0.00 1.28 0.00 0.00 41.25 43.06 2pga s ASN 6194CO 0.84 -0.86 -0.17 -0.31 -2.04 0.00 0.00 177.10 174.56 2pga s TYR 6195N -3.29 2.60 0.00 1.54 2.02 -0.08 -0.47 117.35 119.68 2pga s TYR 6195Ca 0.10 -0.24 0.00 0.00 -0.37 0.00 0.00 57.07 56.56 2pga s TYR 6195Cb -0.01 -1.60 0.00 0.00 -0.40 0.00 0.00 41.96 39.95 2pga s TYR 6195CO -0.01 0.12 0.00 -0.85 -1.57 0.00 0.00 175.55 173.24 2pga n GLU 6196N 2.36 0.00 0.00 -0.62 -0.00 -0.55 -2.44 120.64 119.39 2pga n GLU 6196Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.99 2pga n GLU 6196Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.96 2pga n GLU 6196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2pga n MET 6197N 0.00 0.29 0.00 3.44 2.81 -1.26 -0.26 117.12 122.14 2pga n MET 6197Ca 0.00 -0.49 0.00 0.00 -1.81 0.00 0.00 57.70 55.40 2pga n MET 6197Cb 0.00 -0.69 0.00 0.00 -0.71 0.00 0.00 33.22 31.82 2pga n MET 6197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2pga n GLU 6198N -0.08 2.02 -0.07 0.03 4.71 -1.26 -3.22 120.64 122.77 2pga n GLU 6198Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.10 2pga n GLU 6198Cb 0.26 -0.87 0.14 0.00 -1.01 0.00 0.00 31.44 29.97 2pga n GLU 6198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2pga h SER 6199N 0.00 0.70 -0.40 1.62 4.64 -1.94 -1.71 113.55 116.46 2pga h SER 6199Ca 0.00 -0.22 0.02 0.00 -0.47 0.00 0.00 61.79 61.13 2pga h SER 6199Cb 0.23 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.10 2pga h SER 6199CO 0.00 0.86 0.22 0.00 -0.87 0.00 0.00 176.83 177.04 2pga h ALA 6200N 1.20 0.51 0.22 5.18 0.00 -1.86 0.30 119.26 124.80 2pga h ALA 6200Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2pga h ALA 6200Cb 0.61 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2pga h ALA 6200CO 0.04 -0.12 -0.11 1.15 0.00 0.00 0.00 179.25 180.21 2pga h THR 6201N 0.45 0.85 0.09 0.00 2.02 -1.85 -1.63 112.91 112.83 2pga h THR 6201Ca 0.17 -0.49 0.02 0.00 0.77 0.00 0.00 66.41 66.88 2pga h THR 6201Cb 0.04 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.55 2pga h THR 6201CO -0.10 0.11 -0.26 0.25 0.37 0.00 0.00 175.52 175.89 2pga h LEU 6202N -0.55 -0.75 -0.45 2.58 5.85 -1.07 -0.58 115.31 120.35 2pga h LEU 6202Ca -0.03 0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 2pga h LEU 6202Cb 0.41 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 2pga h LEU 6202CO 0.05 -0.35 0.01 -0.07 -0.34 0.00 0.00 178.44 177.74 2pga h LEU 6203N -0.46 0.78 0.02 2.25 3.38 -0.45 -1.63 115.31 119.20 2pga h LEU 6203Ca 0.04 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 2pga h LEU 6203Cb 0.49 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2pga h LEU 6203CO -0.17 0.89 -0.01 0.74 0.09 0.00 0.00 178.44 179.99 2pga h THR 6204N 0.64 1.11 -0.24 0.22 2.02 -1.18 -0.03 112.91 115.46 2pga h THR 6204Ca 0.13 -0.39 -0.06 0.00 0.77 0.00 0.00 66.41 66.86 2pga h THR 6204Cb 0.49 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 2pga h THR 6204CO 0.02 0.10 -0.11 0.00 0.37 0.00 0.00 175.52 175.91 2pga h MET 6205N -0.19 0.38 -0.00 6.66 -0.00 -1.05 -2.15 114.93 118.58 2pga h MET 6205Ca -0.00 -0.10 -0.00 0.00 -0.00 0.00 0.00 59.70 59.60 2pga h MET 6205Cb 0.18 -0.05 0.00 0.00 -0.00 0.00 0.00 31.60 31.74 2pga h MET 6205CO 0.00 0.50 -0.01 0.00 -0.00 0.00 0.00 176.91 177.40 2pga h ALA 6207N 0.24 1.16 -0.32 0.00 0.00 -0.89 -1.54 119.26 117.92 2pga h ALA 6207Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2pga h ALA 6207Cb 0.77 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2pga h ALA 6207CO 0.00 0.03 0.00 -1.13 0.00 0.00 0.00 179.25 178.15 2pga n SER 6208N -3.35 3.31 -0.53 0.00 3.41 -0.82 -4.32 113.62 111.32 2pga n SER 6208Ca -0.02 -1.97 0.02 0.00 -0.26 0.00 0.00 58.87 56.64 2pga n SER 6208Cb 0.14 -0.20 0.03 0.00 -0.26 0.00 0.00 64.21 63.92 2pga n SER 6208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pga n GLN 6209N 1.40 0.26 -2.00 4.33 6.02 -0.66 -5.02 117.38 121.72 2pga n GLN 6209Ca 0.18 -1.43 -0.13 0.00 -0.01 0.00 0.00 57.00 55.61 2pga n GLN 6209Cb 0.58 -0.65 -0.02 0.00 1.02 0.00 0.00 30.24 31.18 2pga n GLN 6209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pga n GLY 6210N -0.23 0.27 3.61 1.08 0.00 -1.04 -5.02 105.19 103.86 2pga n GLY 6210Ca 0.04 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 2pga n GLY 6210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pga s LEU 6211N -3.41 3.21 -0.07 0.99 1.43 -0.72 -5.05 118.68 115.06 2pga s LEU 6211Ca 0.00 -0.19 -0.17 0.00 -1.03 0.00 0.00 54.13 52.74 2pga s LEU 6211Cb 0.00 -1.89 -0.05 0.00 0.03 0.00 0.00 46.19 44.28 2pga s LEU 6211CO 0.00 0.24 0.46 -0.13 0.23 0.00 0.00 176.35 177.15 2pga s ARG 6212N -1.73 4.22 -0.00 1.70 0.52 0.00 -3.96 118.95 119.71 2pga s ARG 6212Ca 0.19 0.45 0.02 0.00 -0.52 0.00 0.00 55.73 55.87 2pga s ARG 6212Cb -0.11 -3.37 -0.01 0.00 0.52 0.00 0.00 34.95 31.99 2pga s ARG 6212CO 0.11 0.33 -0.06 0.00 0.02 0.00 0.00 175.30 175.70 2pga s ALA 6213N 0.05 0.51 0.20 2.13 0.00 -1.26 -0.11 121.76 123.27 2pga s ALA 6213Ca 0.25 -0.28 0.08 0.00 0.00 0.00 0.00 51.96 52.02 2pga s ALA 6213Cb -0.16 -0.12 -0.05 0.00 0.00 0.00 0.00 23.12 22.79 2pga s ALA 6213CO 0.11 0.12 -0.16 0.20 0.00 0.00 0.00 175.76 176.03 2pga s GLY 6214N -0.19 1.45 -0.04 0.00 0.00 0.25 -0.91 107.32 107.88 2pga s GLY 6214Ca 0.02 -1.62 -0.01 0.00 0.00 0.00 0.00 44.72 43.11 2pga s GLY 6214CO -0.00 -1.70 0.07 -0.29 0.00 0.00 0.00 173.10 171.18 2pga s MET 6215N -3.33 -0.03 -0.01 2.90 1.75 -1.26 -1.03 119.30 118.29 2pga s MET 6215Ca 0.21 0.33 -0.05 0.00 -1.25 0.00 0.00 55.69 54.93 2pga s MET 6215Cb -0.03 -0.35 0.00 0.00 2.84 0.00 0.00 34.83 37.29 2pga s MET 6215CO 0.07 -0.25 0.10 0.54 -0.65 0.00 0.00 175.02 174.83 2pga s VAL 6216N 1.66 0.06 -0.01 10.11 0.11 -0.53 -1.75 120.40 130.06 2pga s VAL 6216Ca -0.02 -0.47 -0.16 0.00 -2.93 0.00 0.00 61.98 58.40 2pga s VAL 6216Cb -0.12 -0.30 0.03 0.00 -1.53 0.00 0.00 36.38 34.46 2pga s VAL 6216CO -0.04 -0.26 0.34 0.00 -3.33 0.00 0.00 175.10 171.82 2pga s ALA 6217N -0.84 -0.86 -0.09 1.54 0.00 -0.34 -0.83 121.76 120.34 2pga s ALA 6217Ca -0.09 0.36 -0.13 0.00 0.00 0.00 0.00 51.96 52.10 2pga s ALA 6217Cb -0.05 0.11 -0.05 0.00 0.00 0.00 0.00 23.12 23.13 2pga s ALA 6217CO 0.01 -0.30 0.31 0.20 0.00 0.00 0.00 175.76 175.98 2pga s GLY 6218N -1.44 2.31 0.04 0.00 0.00 -0.62 -0.69 107.32 106.92 2pga s GLY 6218Ca -0.12 -0.40 -0.30 0.00 0.00 0.00 0.00 44.72 43.90 2pga s GLY 6218CO 0.03 0.14 1.19 0.14 0.00 0.00 0.00 173.10 174.60 2pga s VAL 6219N -0.48 4.11 -0.14 1.40 1.01 -0.65 -1.31 120.40 124.33 2pga s VAL 6219Ca 0.19 1.51 0.03 0.00 0.00 0.00 0.00 61.98 63.71 2pga s VAL 6219Cb -0.14 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 2pga s VAL 6219CO 0.08 0.10 0.13 2.30 0.00 0.00 0.00 175.10 177.71 2pga n ILE 6220N 4.03 0.00 -3.66 2.22 -5.35 0.18 -0.81 119.36 115.97 2pga n ILE 6220Ca 0.09 -0.40 -0.15 0.00 -0.27 0.00 0.00 62.75 62.03 2pga n ILE 6220Cb 0.47 0.95 -0.08 0.00 -1.74 0.00 0.00 39.64 39.24 2pga n ILE 6220CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2pga s VAL 6221N -1.38 0.01 -0.30 7.28 0.11 -1.23 -4.60 120.40 120.29 2pga s VAL 6221Ca 0.01 -0.11 -0.06 0.00 -2.93 0.00 0.00 61.98 58.88 2pga s VAL 6221Cb 0.02 -0.79 0.02 0.00 -1.53 0.00 0.00 36.38 34.10 2pga s VAL 6221CO 0.13 -0.06 0.08 0.21 -3.33 0.00 0.00 175.10 172.13 2pga s ASN 6222N -0.51 5.13 0.03 3.54 3.84 -1.26 -0.39 114.94 125.33 2pga s ASN 6222Ca -0.06 -0.83 0.22 0.00 0.21 0.00 0.00 52.86 52.39 2pga s ASN 6222Cb -0.03 -1.86 0.91 0.00 -0.55 0.00 0.00 41.25 39.71 2pga s ASN 6222CO 0.04 -0.22 1.69 0.54 -2.79 0.00 0.00 177.10 176.36 2pga n ARG 6223N 4.84 0.03 0.05 0.43 5.12 0.13 -1.42 116.66 125.85 2pga n ARG 6223Ca -0.14 0.16 0.10 0.00 -1.93 0.00 0.00 57.85 56.04 2pga n ARG 6223Cb 0.47 -1.55 0.41 0.00 -1.16 0.00 0.00 32.46 30.63 2pga n ARG 6223CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2pga n THR 6224N -1.61 0.80 -0.03 0.55 -2.24 -1.26 -4.00 114.28 106.48 2pga n THR 6224Ca 0.05 0.17 -0.04 0.00 -2.27 0.00 0.00 64.05 61.96 2pga n THR 6224Cb 0.26 -0.96 -0.03 0.00 -2.10 0.00 0.00 70.33 67.50 2pga n THR 6224CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pga n GLN 6225N -1.80 0.15 -3.43 -0.78 6.02 -0.50 -5.10 117.38 111.94 2pga n GLN 6225Ca 0.04 0.04 -0.12 0.00 -0.01 0.00 0.00 57.00 56.94 2pga n GLN 6225Cb 0.23 -1.10 -0.02 0.00 1.02 0.00 0.00 30.24 30.37 2pga n GLN 6225CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 2pga s GLN 6226N -2.12 1.28 0.06 -1.09 -2.07 -0.94 -5.06 119.66 109.72 2pga s GLN 6226Ca -0.08 -0.48 0.01 0.00 -1.82 0.00 0.00 55.36 52.99 2pga s GLN 6226Cb 0.02 0.59 -0.25 0.00 -1.09 0.00 0.00 33.01 32.28 2pga s GLN 6226CO 0.14 -0.56 1.07 0.93 -1.32 0.00 0.00 175.29 175.55 2pga h GLU 6227N 2.00 0.16 -3.99 9.60 5.08 -1.87 -3.34 114.58 122.24 2pga h GLU 6227Ca -0.34 -0.27 -0.18 0.00 -1.00 0.00 0.00 59.36 57.57 2pga h GLU 6227Cb 1.31 0.10 -0.21 0.00 0.50 0.00 0.00 28.75 30.45 2pga h GLU 6227CO 0.38 1.06 -0.70 0.96 -1.00 0.00 0.00 179.01 179.71 2pga s ILE 6228N -2.66 0.12 0.64 3.13 -4.36 -1.26 -4.99 121.20 111.82 2pga s ILE 6228Ca -0.04 -0.87 -0.16 0.00 -0.26 0.00 0.00 60.65 59.32 2pga s ILE 6228Cb 0.08 -0.26 -0.01 0.00 1.25 0.00 0.00 42.46 43.52 2pga s ILE 6228CO 0.85 -0.47 1.13 -2.84 0.24 0.00 0.00 174.94 173.85 2pga s PRO 6229N -1.39 2.82 0.39 0.37 0.02 -1.26 -5.06 135.00 130.89 2pga s PRO 6229Ca -0.15 1.50 0.07 0.00 0.02 0.00 0.00 61.00 62.44 2pga s PRO 6229Cb -0.10 -1.94 0.79 0.00 0.02 0.00 0.00 34.50 33.28 2pga s PRO 6229CO -0.01 -1.26 2.00 -0.91 -0.33 0.00 0.00 177.00 176.50 2pga h ASN 6230N 0.24 0.45 0.00 2.53 2.35 -2.01 -3.53 115.58 115.61 2pga h ASN 6230Ca -0.48 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.24 2pga h ASN 6230Cb 1.26 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.51 2pga h ASN 6230CO 0.54 0.40 0.00 1.41 -1.65 0.00 0.00 177.43 178.13 2pga n HIS 6240N -4.41 0.00 0.04 1.19 -0.00 -1.26 -5.30 115.22 105.48 2pga n HIS 6240Ca 0.02 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.78 2pga n HIS 6240Cb 0.12 0.00 0.43 0.00 -0.00 0.00 0.00 29.99 30.55 2pga n HIS 6240CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2pga h ALA 6241N 0.00 1.69 -0.43 -1.41 0.00 -1.93 -1.68 119.26 115.51 2pga h ALA 6241Ca 0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 2pga h ALA 6241Cb 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2pga h ALA 6241CO 0.00 0.27 -0.12 0.28 0.00 0.00 0.00 179.25 179.68 2pga h VAL 6242N 0.46 1.27 -0.73 0.00 2.07 -1.98 -0.86 116.25 116.49 2pga h VAL 6242Ca 0.12 -1.23 -0.07 0.00 0.82 0.00 0.00 66.70 66.35 2pga h VAL 6242Cb 0.02 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 2pga h VAL 6242CO -0.02 0.42 0.20 0.11 0.02 0.00 0.00 177.57 178.29 2pga h LYS 6243N 0.65 1.15 -0.49 1.57 1.57 -1.92 -2.60 116.57 116.50 2pga h LYS 6243Ca 0.11 -0.27 -0.06 0.00 -1.87 0.00 0.00 60.65 58.56 2pga h LYS 6243Cb 0.65 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 2pga h LYS 6243CO 0.04 1.00 0.08 0.82 -0.57 0.00 0.00 179.45 180.83 2pga h ILE 6244N 1.10 1.25 -0.56 1.86 2.04 -1.13 -1.25 117.51 120.82 2pga h ILE 6244Ca 0.23 -0.93 -0.07 0.00 1.00 0.00 0.00 64.86 65.09 2pga h ILE 6244Cb 0.35 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 2pga h ILE 6244CO -0.00 0.33 0.05 1.62 0.00 0.00 0.00 178.15 180.15 2pga h VAL 6245N 0.69 1.25 -0.23 1.67 3.04 -1.00 0.19 116.25 121.86 2pga h VAL 6245Ca 0.15 -1.01 -0.03 0.00 -1.01 0.00 0.00 66.70 64.80 2pga h VAL 6245Cb 0.39 0.76 -0.01 0.00 -2.01 0.00 0.00 31.29 30.43 2pga h VAL 6245CO 0.01 0.37 0.02 0.58 -1.01 0.00 0.00 177.57 177.54 2pga h VAL 6246N 0.87 1.24 -0.49 1.51 2.07 -1.38 -0.80 116.25 119.26 2pga h VAL 6246Ca 0.17 -0.81 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 2pga h VAL 6246Cb 0.44 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 2pga h VAL 6246CO 0.02 0.25 0.09 -0.08 0.02 0.00 0.00 177.57 177.87 2pga h GLU 6247N 0.19 0.77 -0.62 1.57 4.57 -0.97 -2.31 114.58 117.78 2pga h GLU 6247Ca 0.07 -0.16 -0.09 0.00 -1.18 0.00 0.00 59.36 58.00 2pga h GLU 6247Cb 0.36 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 2pga h GLU 6247CO 0.01 0.72 0.04 0.00 -1.18 0.00 0.00 179.01 178.59 2pga h ALA 6248N 1.36 0.90 -0.79 2.92 0.00 -0.49 -2.74 119.26 120.42 2pga h ALA 6248Ca 0.16 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.82 2pga h ALA 6248Cb 0.32 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 2pga h ALA 6248CO 0.00 0.66 0.49 0.00 0.00 0.00 0.00 179.25 180.41 2pga h ALA 6249N 1.06 1.06 -0.98 0.00 0.00 -0.67 -1.76 119.26 117.97 2pga h ALA 6249Ca 0.18 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.24 2pga h ALA 6249Cb 0.50 -0.23 -0.10 0.00 0.00 0.00 0.00 17.79 17.97 2pga h ALA 6249CO 0.02 0.26 0.59 0.00 0.00 0.00 0.00 179.25 180.12 2pga h ARG 6250N 0.93 0.80 0.00 0.00 3.08 -1.11 -0.19 114.38 117.88 2pga h ARG 6250Ca 0.33 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.33 2pga h ARG 6250Cb 0.10 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.97 2pga h ARG 6250CO -0.14 0.53 0.00 0.54 -1.07 0.00 0.00 179.97 179.82 2pga n ARG 6251N -4.73 0.22 -0.14 0.04 1.74 -0.67 -3.28 116.66 109.83 2pga n ARG 6251Ca 0.21 0.31 0.07 0.00 -0.77 0.00 0.00 57.85 57.67 2pga n ARG 6251Cb 0.48 -1.82 0.14 0.00 -1.02 0.00 0.00 32.46 30.24 2pga n ARG 6251CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2pga n LEU 6252N -2.22 2.81 0.00 0.55 4.77 -0.10 -5.07 117.00 117.74 2pga n LEU 6252Ca 0.04 -1.58 0.11 0.00 -0.03 0.00 0.00 56.01 54.56 2pga n LEU 6252Cb 0.33 -0.18 0.68 0.00 -2.33 0.00 0.00 43.42 41.92 2pga n LEU 6252CO 0.25 0.64 0.86 0.18 -1.33 0.00 0.00 177.39 177.99