#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fwp n ASP 6005N 0.00 0.84 -4.10 -3.46 10.43 0.01 -4.87 116.55 115.40 3fwp n ASP 6005Ca 0.00 0.58 -0.11 0.00 2.57 0.00 0.00 54.79 57.83 3fwp n ASP 6005Cb 0.00 -0.81 -0.11 0.00 1.84 0.00 0.00 41.12 42.05 3fwp n ASP 6005CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 3fwp s VAL 6006N -3.11 0.53 0.27 2.53 -7.23 -1.25 -5.05 120.40 107.10 3fwp s VAL 6006Ca 0.10 -1.46 0.06 0.00 -1.81 0.00 0.00 61.98 58.88 3fwp s VAL 6006Cb 0.12 -1.07 -0.00 0.00 0.56 0.00 0.00 36.38 35.99 3fwp s VAL 6006CO 0.60 -0.63 1.63 0.15 -0.31 0.00 0.00 175.10 176.54 3fwp h PHE 6007N 3.81 0.28 0.00 2.82 3.04 -1.95 -3.38 116.94 121.56 3fwp h PHE 6007Ca -0.35 -0.09 -0.21 0.00 3.98 0.00 0.00 57.97 61.30 3fwp h PHE 6007Cb 1.18 -0.06 -0.04 0.00 2.56 0.00 0.00 35.95 39.60 3fwp h PHE 6007CO 0.62 0.69 -1.79 0.72 -2.02 0.00 0.00 178.31 176.53 3fwp n HIS 6008N -3.95 0.00 0.21 0.41 8.25 -1.26 -4.74 115.22 114.14 3fwp n HIS 6008Ca -0.02 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.54 3fwp n HIS 6008Cb 0.55 -0.54 0.29 0.00 1.12 0.00 0.00 29.99 31.41 3fwp n HIS 6008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3fwp h LEU 6009N 0.00 0.00 0.39 2.41 3.38 -1.93 -3.44 115.31 116.12 3fwp h LEU 6009Ca -0.31 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.41 3fwp h LEU 6009Cb 1.51 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.30 3fwp h LEU 6009CO -0.04 0.20 -0.37 0.61 0.09 0.00 0.00 178.44 178.92 3fwp n GLY 6010N 0.71 -0.06 3.35 0.83 0.00 -1.26 -4.72 105.19 104.04 3fwp n GLY 6010Ca 0.02 -0.22 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 3fwp n GLY 6010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fwp s LEU 6011N -4.30 2.38 0.27 0.99 1.43 -1.26 -4.85 118.68 113.34 3fwp s LEU 6011Ca 0.19 -0.79 0.10 0.00 -1.03 0.00 0.00 54.13 52.59 3fwp s LEU 6011Cb -0.08 -0.99 -0.04 0.00 0.03 0.00 0.00 46.19 45.11 3fwp s LEU 6011CO 0.23 0.06 -0.02 0.42 0.23 0.00 0.00 176.35 177.28 3fwp s THR 6012N -1.54 3.29 0.51 5.49 -4.23 -1.26 -0.81 115.64 117.10 3fwp s THR 6012Ca 0.14 -1.96 0.21 0.00 -1.18 0.00 0.00 61.69 58.90 3fwp s THR 6012Cb -0.08 -2.79 0.36 0.00 1.34 0.00 0.00 72.50 71.32 3fwp s THR 6012CO 0.07 -0.36 2.03 0.11 -0.54 0.00 0.00 174.62 175.93 3fwp h LYS 6013N 1.90 0.06 -0.69 3.99 1.57 -1.96 -1.29 116.57 120.16 3fwp h LYS 6013Ca -0.44 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.33 3fwp h LYS 6013Cb 1.25 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.51 3fwp h LYS 6013CO 0.61 0.04 0.38 -0.97 -0.57 0.00 0.00 179.45 178.94 3fwp h ASN 6014N 0.06 0.84 -0.10 0.86 -1.24 -1.95 -2.26 115.58 111.79 3fwp h ASN 6014Ca 0.19 -0.06 0.03 0.00 0.71 0.00 0.00 56.30 57.17 3fwp h ASN 6014Cb 0.69 -0.21 -0.00 0.00 0.73 0.00 0.00 38.32 39.52 3fwp h ASN 6014CO -0.01 0.68 0.09 0.44 -1.29 0.00 0.00 177.43 177.33 3fwp h ASP 6015N 0.95 0.00 1.16 1.15 3.45 -1.63 -2.35 116.42 119.16 3fwp h ASP 6015Ca 0.24 0.00 -0.15 0.00 0.43 0.00 0.00 57.03 57.55 3fwp h ASP 6015Cb 0.02 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.77 3fwp h ASP 6015CO -0.04 0.00 -0.71 -0.07 -1.57 0.00 0.00 179.24 176.85 3fwp h LEU 6016N 0.00 0.00 -0.48 1.55 4.07 -1.48 -3.47 115.31 115.50 3fwp h LEU 6016Ca 0.05 0.00 -0.43 0.00 0.08 0.00 0.00 57.88 57.58 3fwp h LEU 6016Cb 0.23 0.00 0.03 0.00 1.08 0.00 0.00 40.66 42.00 3fwp h LEU 6016CO -0.00 0.71 -0.69 0.00 -1.08 0.00 0.00 178.44 177.38 3fwp n GLN 6017N -3.35 -5.99 -0.73 1.13 1.13 -0.88 -1.74 117.38 106.96 3fwp n GLN 6017Ca 0.01 0.71 0.00 0.00 -1.94 0.00 0.00 57.00 55.77 3fwp n GLN 6017Cb 0.80 -5.63 0.00 0.00 0.11 0.00 0.00 30.24 25.52 3fwp n GLN 6017CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3fwp n GLY 6018N -1.72 0.79 3.70 1.08 0.00 -1.26 -4.65 105.19 103.13 3fwp n GLY 6018Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3fwp n GLY 6018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fwp n ALA 6019N 0.18 1.52 -0.19 4.61 0.00 -0.71 -4.90 120.51 121.02 3fwp n ALA 6019Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3fwp n ALA 6019Cb 0.00 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.14 3fwp n ALA 6019CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3fwp n GLN 6020N 1.53 -0.62 -5.02 0.00 6.02 -1.26 -4.37 117.38 113.66 3fwp n GLN 6020Ca 0.08 -0.39 -0.29 0.00 -0.01 0.00 0.00 57.00 56.40 3fwp n GLN 6020Cb 0.34 -0.89 -0.16 0.00 1.02 0.00 0.00 30.24 30.55 3fwp n GLN 6020CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3fwp s LEU 6021N -0.05 1.98 -0.06 1.08 0.20 -1.26 -0.27 118.68 120.30 3fwp s LEU 6021Ca 0.00 -0.43 0.04 0.00 0.69 0.00 0.00 54.13 54.43 3fwp s LEU 6021Cb 0.00 -1.16 -0.00 0.00 -0.43 0.00 0.00 46.19 44.60 3fwp s LEU 6021CO 0.00 0.18 -0.19 0.00 -0.29 0.00 0.00 176.35 176.05 3fwp s ALA 6022N 0.03 1.74 -0.19 5.97 0.00 -0.02 -1.77 121.76 127.52 3fwp s ALA 6022Ca -0.06 -0.78 -0.16 0.00 0.00 0.00 0.00 51.96 50.96 3fwp s ALA 6022Cb -0.13 -0.60 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 3fwp s ALA 6022CO 0.03 0.29 0.40 0.42 0.00 0.00 0.00 175.76 176.90 3fwp s ILE 6023N 0.13 5.20 -0.53 0.00 1.01 0.40 -0.69 121.20 126.73 3fwp s ILE 6023Ca -0.08 0.72 0.04 0.00 0.00 0.00 0.00 60.65 61.33 3fwp s ILE 6023Cb -0.14 -3.73 0.14 0.00 0.01 0.00 0.00 42.46 38.74 3fwp s ILE 6023CO 0.04 0.27 0.29 0.68 0.00 0.00 0.00 174.94 176.21 3fwp s VAL 6024N 1.20 2.31 0.74 2.92 -7.23 0.41 -1.45 120.40 119.30 3fwp s VAL 6024Ca 0.19 -3.27 -0.11 0.00 -1.81 0.00 0.00 61.98 56.98 3fwp s VAL 6024Cb -0.15 -2.59 0.04 0.00 0.56 0.00 0.00 36.38 34.23 3fwp s VAL 6024CO 0.08 -0.86 1.08 -2.16 -0.31 0.00 0.00 175.10 172.93 3fwp s PRO 6025N -0.30 2.56 -0.03 4.82 0.04 -1.23 -3.16 135.00 137.69 3fwp s PRO 6025Ca 0.19 0.69 -0.21 0.00 0.04 0.00 0.00 61.00 61.70 3fwp s PRO 6025Cb -0.22 -1.97 -0.30 0.00 0.04 0.00 0.00 34.50 32.05 3fwp s PRO 6025CO -0.03 -1.30 0.95 0.78 0.04 0.00 0.00 177.00 177.45 3fwp h GLY 6026N -0.85 0.38 -5.52 0.56 0.00 -1.83 0.13 103.07 95.94 3fwp h GLY 6026Ca -0.46 -0.89 -0.59 0.00 0.00 0.00 0.00 47.33 45.40 3fwp h GLY 6026CO 0.60 0.78 0.51 -0.35 0.00 0.00 0.00 176.54 178.08 3fwp s ASP 6027N -6.95 6.92 0.44 0.19 3.68 -1.26 -1.28 116.67 118.41 3fwp s ASP 6027Ca -0.13 1.15 0.19 0.00 2.13 0.00 0.00 52.55 55.89 3fwp s ASP 6027Cb 0.02 -2.46 1.14 0.00 -1.45 0.00 0.00 42.92 40.16 3fwp s ASP 6027CO 0.83 -0.51 1.87 -0.65 0.13 0.00 0.00 175.17 176.84 3fwp h PRO 6028N 7.53 0.33 0.00 4.34 0.11 -1.88 -1.75 132.00 140.68 3fwp h PRO 6028Ca -0.24 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3fwp h PRO 6028Cb 1.10 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3fwp h PRO 6028CO 0.88 0.22 0.00 0.39 -0.21 0.00 0.00 178.00 179.28 3fwp n GLU 6029N -4.48 0.11 0.09 1.05 1.02 -1.26 -2.83 120.64 114.34 3fwp n GLU 6029Ca 0.18 0.22 0.12 0.00 -0.02 0.00 0.00 57.16 57.67 3fwp n GLU 6029Cb 0.71 -1.66 0.14 0.00 -0.02 0.00 0.00 31.44 30.61 3fwp n GLU 6029CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 3fwp h ARG 6030N 0.00 0.00 0.10 3.49 2.43 -1.73 -3.39 114.38 115.28 3fwp h ARG 6030Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3fwp h ARG 6030Cb 0.45 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.00 3fwp h ARG 6030CO 0.00 0.00 -0.06 0.28 -1.51 0.00 0.00 179.97 178.68 3fwp h VAL 6031N 0.00 0.87 -0.90 0.20 2.07 -1.61 -1.68 116.25 115.21 3fwp h VAL 6031Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 3fwp h VAL 6031Cb 0.84 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 31.44 3fwp h VAL 6031CO 0.00 0.00 0.59 -0.08 0.02 0.00 0.00 177.57 178.10 3fwp h GLU 6032N -0.15 1.16 -0.62 1.57 4.81 -1.78 -0.78 114.58 118.78 3fwp h GLU 6032Ca -0.01 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 3fwp h GLU 6032Cb 0.13 -0.26 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 3fwp h GLU 6032CO 0.01 0.76 0.35 0.87 -0.73 0.00 0.00 179.01 180.28 3fwp h LYS 6033N 1.19 0.86 -0.22 1.92 1.57 -1.68 0.11 116.57 120.31 3fwp h LYS 6033Ca 0.34 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.99 3fwp h LYS 6033Cb -0.10 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.03 3fwp h LYS 6033CO -0.09 0.64 -0.01 0.82 -0.57 0.00 0.00 179.45 180.24 3fwp h ILE 6034N 0.84 1.26 -0.79 1.86 2.04 -1.00 -3.05 117.51 118.68 3fwp h ILE 6034Ca 0.22 -0.92 0.04 0.00 1.00 0.00 0.00 64.86 65.20 3fwp h ILE 6034Cb 0.02 1.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.48 3fwp h ILE 6034CO -0.04 0.28 0.52 0.00 0.00 0.00 0.00 178.15 178.91 3fwp h ALA 6035N 0.79 1.54 0.00 1.87 0.00 -0.81 -2.39 119.26 120.26 3fwp h ALA 6035Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3fwp h ALA 6035Cb 0.43 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3fwp h ALA 6035CO 0.01 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.64 3fwp h ALA 6036N 1.55 1.00 -0.00 0.00 0.00 -0.68 -1.22 119.26 119.91 3fwp h ALA 6036Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3fwp h ALA 6036Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3fwp h ALA 6036CO -0.09 0.00 -0.06 1.28 0.00 0.00 0.00 179.25 180.38 3fwp n LEU 6037N -2.71 0.35 -4.75 0.00 4.77 -0.90 -4.89 117.00 108.87 3fwp n LEU 6037Ca -0.01 0.03 -0.31 0.00 -0.03 0.00 0.00 56.01 55.69 3fwp n LEU 6037Cb 0.14 -0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 41.00 3fwp n LEU 6037CO 0.19 0.06 -0.22 -0.04 -1.33 0.00 0.00 177.39 176.05 3fwp s MET 6038N -2.36 2.15 0.38 3.23 -1.94 -0.46 -5.13 119.30 115.17 3fwp s MET 6038Ca 0.33 -2.26 -0.22 0.00 -1.71 0.00 0.00 55.69 51.84 3fwp s MET 6038Cb 0.21 -1.65 -0.10 0.00 2.01 0.00 0.00 34.83 35.30 3fwp s MET 6038CO 0.44 -0.31 0.91 -0.51 -0.01 0.00 0.00 175.02 175.55 3fwp s ASP 6039N -3.89 7.03 -1.30 3.03 -0.00 -0.15 -4.33 116.67 117.06 3fwp s ASP 6039Ca 0.17 1.67 -0.20 0.00 -0.00 0.00 0.00 52.55 54.19 3fwp s ASP 6039Cb 0.03 -2.52 0.02 0.00 -0.00 0.00 0.00 42.92 40.45 3fwp s ASP 6039CO 0.09 -0.24 0.51 0.29 -0.00 0.00 0.00 175.17 175.83 3fwp n LYS 6040N -0.21 -0.97 -2.11 8.23 5.02 -1.26 0.28 118.16 127.13 3fwp n LYS 6040Ca 0.05 0.19 -0.42 0.00 -2.02 0.00 0.00 58.31 56.10 3fwp n LYS 6040Cb 0.53 -3.31 -0.03 0.00 -0.02 0.00 0.00 35.03 32.20 3fwp n LYS 6040CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3fwp s PRO 6041N -7.06 4.30 -0.06 1.97 0.04 -1.26 -4.40 135.00 128.53 3fwp s PRO 6041Ca 0.32 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.50 3fwp s PRO 6041Cb -0.16 -3.22 0.02 0.00 0.04 0.00 0.00 34.50 31.18 3fwp s PRO 6041CO 0.95 -0.48 -0.04 0.08 0.04 0.00 0.00 177.00 177.55 3fwp s VAL 6042N 1.10 0.61 0.26 -0.36 1.01 0.15 -4.99 120.40 118.18 3fwp s VAL 6042Ca 0.66 -0.11 -0.30 0.00 0.00 0.00 0.00 61.98 62.24 3fwp s VAL 6042Cb -0.39 -0.67 -0.10 0.00 0.00 0.00 0.00 36.38 35.23 3fwp s VAL 6042CO 0.31 0.27 1.38 -0.75 0.00 0.00 0.00 175.10 176.30 3fwp s LYS 6043N 1.32 4.31 -0.09 2.72 2.20 -1.26 0.26 119.74 129.20 3fwp s LYS 6043Ca -0.04 2.23 -0.12 0.00 -0.36 0.00 0.00 55.97 57.68 3fwp s LYS 6043Cb -0.14 -3.11 -0.04 0.00 -1.51 0.00 0.00 37.83 33.03 3fwp s LYS 6043CO -0.02 -0.32 -0.24 1.28 -0.36 0.00 0.00 175.35 175.68 3fwp n LEU 6044N 1.93 1.67 -3.64 5.43 4.77 0.15 -4.85 117.00 122.47 3fwp n LEU 6044Ca 0.05 0.27 -0.10 0.00 -0.03 0.00 0.00 56.01 56.19 3fwp n LEU 6044Cb 0.41 -0.61 -0.03 0.00 -2.33 0.00 0.00 43.42 40.86 3fwp n LEU 6044CO 0.60 -0.40 0.30 0.00 -1.33 0.00 0.00 177.39 176.56 3fwp s ALA 6045N -2.61 -1.14 -0.26 -1.18 0.00 -1.06 -5.01 121.76 110.50 3fwp s ALA 6045Ca -0.20 0.00 -0.02 0.00 0.00 0.00 0.00 51.96 51.75 3fwp s ALA 6045Cb 0.03 0.83 0.13 0.00 0.00 0.00 0.00 23.12 24.11 3fwp s ALA 6045CO 0.30 -0.78 0.29 0.45 0.00 0.00 0.00 175.76 176.02 3fwp s SER 6046N -2.83 1.33 -0.04 0.00 0.15 -1.26 -0.82 113.70 110.24 3fwp s SER 6046Ca 0.06 -0.46 0.02 0.00 0.70 0.00 0.00 55.95 56.27 3fwp s SER 6046Cb -0.01 0.59 0.01 0.00 -1.71 0.00 0.00 66.02 64.91 3fwp s SER 6046CO -0.07 -0.36 -0.08 -1.00 1.20 0.00 0.00 173.24 172.94 3fwp s HIS 6047N 2.39 0.93 0.00 3.44 3.76 -0.66 -4.99 115.29 120.16 3fwp s HIS 6047Ca 0.09 -0.27 0.00 0.00 -0.15 0.00 0.00 55.06 54.74 3fwp s HIS 6047Cb -0.15 -0.72 0.00 0.00 1.11 0.00 0.00 32.58 32.83 3fwp s HIS 6047CO -0.25 -0.16 0.00 0.54 -0.85 0.00 0.00 174.74 174.02 3fwp n ARG 6048N 3.65 0.00 -0.09 1.40 1.74 -1.26 -0.33 116.66 121.77 3fwp n ARG 6048Ca -0.22 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 56.92 3fwp n ARG 6048Cb 0.53 0.00 0.21 0.00 -1.02 0.00 0.00 32.46 32.17 3fwp n ARG 6048CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 3fwp n GLU 6049N 14.00 1.50 -3.42 5.56 0.00 -1.26 -4.71 120.64 132.31 3fwp n GLU 6049Ca 0.00 -0.77 -0.44 0.00 0.00 0.00 0.00 57.16 55.95 3fwp n GLU 6049Cb 0.00 -1.23 -0.05 0.00 0.00 0.00 0.00 31.44 30.16 3fwp n GLU 6049CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 3fwp s PHE 6050N -1.75 3.56 -0.19 -1.84 0.40 0.56 -3.84 117.98 114.87 3fwp s PHE 6050Ca 0.20 -1.97 -0.09 0.00 -0.60 0.00 0.00 56.93 54.47 3fwp s PHE 6050Cb 0.10 -3.67 -0.05 0.00 0.51 0.00 0.00 43.02 39.92 3fwp s PHE 6050CO 0.15 -0.97 0.10 0.99 0.70 0.00 0.00 175.22 176.19 3fwp s THR 6051N 0.55 5.15 -0.00 0.64 2.01 -1.26 -1.65 115.64 121.07 3fwp s THR 6051Ca 0.13 0.10 0.04 0.00 0.31 0.00 0.00 61.69 62.27 3fwp s THR 6051Cb -0.18 -3.34 -0.01 0.00 0.01 0.00 0.00 72.50 68.98 3fwp s THR 6051CO -0.05 0.44 -0.14 -0.94 -0.69 0.00 0.00 174.62 173.25 3fwp s SER 6052N 0.40 1.61 0.11 3.53 1.04 0.00 -1.09 113.70 119.29 3fwp s SER 6052Ca 0.06 -0.27 0.05 0.00 0.48 0.00 0.00 55.95 56.27 3fwp s SER 6052Cb -0.12 -0.17 -0.04 0.00 0.10 0.00 0.00 66.02 65.80 3fwp s SER 6052CO -0.01 0.15 -0.12 0.26 0.98 0.00 0.00 173.24 174.50 3fwp s TRP 6053N -0.39 1.24 0.05 5.02 0.52 0.57 -0.67 118.94 125.27 3fwp s TRP 6053Ca 0.05 -0.58 0.05 0.00 0.02 0.00 0.00 56.10 55.63 3fwp s TRP 6053Cb -0.06 -0.66 -0.04 0.00 -1.15 0.00 0.00 33.47 31.57 3fwp s TRP 6053CO -0.00 0.08 -0.07 0.50 0.02 0.00 0.00 176.95 177.47 3fwp s ARG 6054N -2.60 2.41 0.33 4.98 3.52 0.14 -0.87 118.95 126.87 3fwp s ARG 6054Ca 0.06 -0.84 -0.00 0.00 -0.13 0.00 0.00 55.73 54.82 3fwp s ARG 6054Cb -0.05 -2.44 0.00 0.00 -1.56 0.00 0.00 34.95 30.91 3fwp s ARG 6054CO 0.02 0.56 0.43 0.00 -0.81 0.00 0.00 175.30 175.50 3fwp n ALA 6055N 1.13 -0.16 -2.99 6.12 0.00 -0.06 0.31 120.51 124.85 3fwp n ALA 6055Ca -0.14 -1.59 -0.23 0.00 0.00 0.00 0.00 53.44 51.48 3fwp n ALA 6055Cb 0.52 1.28 -0.16 0.00 0.00 0.00 0.00 19.45 21.10 3fwp n ALA 6055CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3fwp s GLU 6056N -2.84 1.28 -0.12 0.00 2.12 0.14 -0.15 118.70 119.13 3fwp s GLU 6056Ca 0.29 -0.42 -0.01 0.00 0.36 0.00 0.00 54.97 55.19 3fwp s GLU 6056Cb -0.00 -1.16 0.04 0.00 0.26 0.00 0.00 34.13 33.26 3fwp s GLU 6056CO 0.21 0.16 -0.02 -1.17 -0.54 0.00 0.00 175.26 173.91 3fwp s LEU 6057N 0.14 1.03 -1.57 2.70 2.96 0.83 -0.98 118.68 123.79 3fwp s LEU 6057Ca -0.03 -0.40 -0.13 0.00 -0.22 0.00 0.00 54.13 53.35 3fwp s LEU 6057Cb -0.10 -0.64 0.10 0.00 0.50 0.00 0.00 46.19 46.05 3fwp s LEU 6057CO 0.01 -0.20 0.81 0.47 -1.32 0.00 0.00 176.35 176.11 3fwp n ASP 6058N 5.03 -3.32 -0.24 3.68 10.43 -1.26 -1.34 116.55 129.53 3fwp n ASP 6058Ca -0.09 -0.91 -0.03 0.00 2.57 0.00 0.00 54.79 56.32 3fwp n ASP 6058Cb 0.49 -3.31 -0.01 0.00 1.84 0.00 0.00 41.12 40.13 3fwp n ASP 6058CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3fwp n GLY 6059N -1.61 0.62 3.24 0.44 0.00 -1.26 -5.02 105.19 101.60 3fwp n GLY 6059Ca -0.02 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 3fwp n GLY 6059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fwp s LYS 6060N -1.61 2.37 0.31 1.61 -0.14 -0.45 -5.12 119.74 116.70 3fwp s LYS 6060Ca 0.00 -0.84 -0.29 0.00 -1.36 0.00 0.00 55.97 53.48 3fwp s LYS 6060Cb 0.00 -2.03 -0.10 0.00 -1.68 0.00 0.00 37.83 34.02 3fwp s LYS 6060CO 0.00 0.36 1.35 0.00 -0.76 0.00 0.00 175.35 176.30 3fwp s ALA 6061N -0.14 3.54 0.00 5.17 0.00 -1.26 -0.12 121.76 128.95 3fwp s ALA 6061Ca -0.03 1.29 0.03 0.00 0.00 0.00 0.00 51.96 53.24 3fwp s ALA 6061Cb -0.13 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.47 3fwp s ALA 6061CO 0.03 -0.69 -0.09 0.08 0.00 0.00 0.00 175.76 175.10 3fwp s VAL 6062N -0.78 0.67 -0.14 0.00 1.01 0.79 -4.31 120.40 117.64 3fwp s VAL 6062Ca 0.52 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 61.96 3fwp s VAL 6062Cb -0.40 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 3fwp s VAL 6062CO 0.50 0.11 0.14 -0.63 0.00 0.00 0.00 175.10 175.22 3fwp s ILE 6063N -0.35 5.48 -0.16 2.22 -1.09 -0.73 -0.89 121.20 125.68 3fwp s ILE 6063Ca 0.02 0.20 -0.00 0.00 -2.23 0.00 0.00 60.65 58.64 3fwp s ILE 6063Cb -0.04 -3.41 -0.01 0.00 -1.58 0.00 0.00 42.46 37.42 3fwp s ILE 6063CO -0.00 0.58 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.47 3fwp s VAL 6064N -0.74 2.85 -0.09 2.92 1.01 -0.05 -0.46 120.40 125.85 3fwp s VAL 6064Ca 0.13 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 3fwp s VAL 6064Cb -0.12 -2.22 0.05 0.00 0.00 0.00 0.00 36.38 34.09 3fwp s VAL 6064CO 0.03 0.51 0.20 0.00 0.00 0.00 0.00 175.10 175.83 3fwp s SER 6066N 1.58 6.11 -0.02 0.00 1.04 -0.25 -3.57 113.70 118.60 3fwp s SER 6066Ca -0.06 1.93 0.16 0.00 0.48 0.00 0.00 55.95 58.46 3fwp s SER 6066Cb -0.11 -2.55 -0.24 0.00 0.10 0.00 0.00 66.02 63.21 3fwp s SER 6066CO -0.07 -0.94 0.37 0.35 0.98 0.00 0.00 173.24 173.92 3fwp n THR 6067N -1.30 0.00 -0.31 2.02 -2.24 0.04 -4.44 114.28 108.05 3fwp n THR 6067Ca 0.09 -0.35 0.04 0.00 -2.27 0.00 0.00 64.05 61.57 3fwp n THR 6067Cb 0.52 0.19 -0.01 0.00 -2.10 0.00 0.00 70.33 68.94 3fwp n THR 6067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fwp n GLY 6068N 1.59 -1.54 3.71 3.38 0.00 -0.40 -3.26 105.19 108.66 3fwp n GLY 6068Ca -0.03 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 3fwp n GLY 6068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fwp s ILE 6069N -1.46 4.88 0.00 -0.61 1.01 -1.26 -4.66 121.20 119.09 3fwp s ILE 6069Ca 0.00 1.98 0.00 0.00 0.00 0.00 0.00 60.65 62.63 3fwp s ILE 6069Cb 0.00 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 38.19 3fwp s ILE 6069CO 0.00 0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.69 3fwp n GLY 6070N 2.97 2.37 0.21 6.18 0.00 -1.26 -4.62 105.19 111.04 3fwp n GLY 6070Ca 0.06 -1.85 -0.01 0.00 0.00 0.00 0.00 46.02 44.21 3fwp n GLY 6070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3fwp h GLY 6071N 0.00 0.66 0.51 -0.02 0.00 -1.85 -1.90 103.07 100.47 3fwp h GLY 6071Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.33 3fwp h GLY 6071CO 0.00 -0.09 -0.28 -2.55 0.00 0.00 0.00 176.54 173.62 3fwp h PRO 6072N 0.24 -0.48 -0.15 4.80 0.11 -1.94 0.36 132.00 134.94 3fwp h PRO 6072Ca 0.28 0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.30 3fwp h PRO 6072Cb 0.39 0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 3fwp h PRO 6072CO -0.36 -0.32 -0.41 1.03 -0.21 0.00 0.00 178.00 177.73 3fwp h SER 6073N -0.50 0.37 -0.68 -2.05 0.87 -1.80 -2.54 113.55 107.23 3fwp h SER 6073Ca 0.03 -0.16 0.04 0.00 -1.23 0.00 0.00 61.79 60.47 3fwp h SER 6073Cb 0.52 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 62.34 3fwp h SER 6073CO -0.16 0.74 0.41 0.74 -0.53 0.00 0.00 176.83 178.02 3fwp h THR 6074N 0.29 1.05 -0.09 2.23 2.02 -0.95 -1.99 112.91 115.47 3fwp h THR 6074Ca 0.03 -0.27 -0.07 0.00 0.77 0.00 0.00 66.41 66.87 3fwp h THR 6074Cb 0.85 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 3fwp h THR 6074CO 0.07 0.14 -0.26 0.77 0.37 0.00 0.00 175.52 176.61 3fwp h SER 6075N 0.78 0.16 0.07 4.18 4.64 0.12 -0.57 113.55 122.93 3fwp h SER 6075Ca 0.28 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3fwp h SER 6075Cb 0.07 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3fwp h SER 6075CO -0.13 0.43 -0.03 0.40 -0.87 0.00 0.00 176.83 176.62 3fwp h ILE 6076N 0.15 1.18 -0.14 0.95 2.04 -1.18 -2.34 117.51 118.16 3fwp h ILE 6076Ca 0.02 -0.94 0.02 0.00 1.00 0.00 0.00 64.86 64.97 3fwp h ILE 6076Cb 0.55 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 3fwp h ILE 6076CO 0.04 0.23 0.01 0.00 0.00 0.00 0.00 178.15 178.43 3fwp h ALA 6077N 0.35 0.13 -0.36 1.87 0.00 -0.96 -1.45 119.26 118.84 3fwp h ALA 6077Ca -0.01 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3fwp h ALA 6077Cb 0.45 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3fwp h ALA 6077CO 0.02 -0.44 0.19 0.28 0.00 0.00 0.00 179.25 179.30 3fwp h VAL 6078N 0.07 1.15 -0.18 0.00 2.07 -1.21 -0.66 116.25 117.48 3fwp h VAL 6078Ca 0.06 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 3fwp h VAL 6078Cb 0.07 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3fwp h VAL 6078CO -0.10 0.16 0.11 -0.08 0.02 0.00 0.00 177.57 177.68 3fwp h GLU 6079N 0.45 0.25 -0.13 1.57 4.57 -1.22 0.11 114.58 120.17 3fwp h GLU 6079Ca 0.13 -0.02 -0.17 0.00 -1.18 0.00 0.00 59.36 58.12 3fwp h GLU 6079Cb 0.08 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 3fwp h GLU 6079CO -0.02 0.20 -0.61 0.93 -1.18 0.00 0.00 179.01 178.32 3fwp h GLU 6080N 0.23 0.46 -0.71 1.92 5.08 -1.18 -0.07 114.58 120.30 3fwp h GLU 6080Ca 0.07 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 3fwp h GLU 6080Cb 0.01 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 3fwp h GLU 6080CO -0.01 0.93 0.40 -0.07 -1.00 0.00 0.00 179.01 179.26 3fwp h LEU 6081N 0.34 0.87 -0.52 1.33 3.38 -1.00 -1.47 115.31 118.24 3fwp h LEU 6081Ca -0.01 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.89 3fwp h LEU 6081Cb 1.16 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 3fwp h LEU 6081CO 0.11 0.70 0.33 0.00 0.09 0.00 0.00 178.44 179.67 3fwp h ALA 6082N 1.21 0.66 -0.65 1.53 0.00 -0.33 -0.02 119.26 121.66 3fwp h ALA 6082Ca 0.25 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.17 3fwp h ALA 6082Cb 0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3fwp h ALA 6082CO -0.04 0.06 0.43 1.96 0.00 0.00 0.00 179.25 181.65 3fwp h GLN 6083N 0.66 0.75 0.00 0.00 4.20 -0.75 -1.56 115.11 118.41 3fwp h GLN 6083Ca 0.20 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.86 3fwp h GLN 6083Cb -0.03 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.58 3fwp h GLN 6083CO -0.07 0.49 0.00 1.28 -0.67 0.00 0.00 178.83 179.87 3fwp n LEU 6084N -4.46 0.22 0.00 1.46 4.77 -0.58 -4.90 117.00 113.51 3fwp n LEU 6084Ca 0.08 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 3fwp n LEU 6084Cb 0.13 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 3fwp n LEU 6084CO 0.35 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 3fwp n GLY 6085N 1.18 1.00 3.73 -0.72 0.00 -0.59 -4.74 105.19 105.06 3fwp n GLY 6085Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3fwp n GLY 6085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fwp s ILE 6086N -1.95 3.77 0.00 -0.61 -1.09 -0.10 -4.52 121.20 116.69 3fwp s ILE 6086Ca 0.00 1.43 0.00 0.00 -2.23 0.00 0.00 60.65 59.85 3fwp s ILE 6086Cb 0.00 -3.91 0.00 0.00 -1.58 0.00 0.00 42.46 36.97 3fwp s ILE 6086CO 0.00 0.20 0.00 0.54 -1.23 0.00 0.00 174.94 174.45 3fwp n ARG 6087N 2.87 4.02 -4.36 2.79 5.12 0.63 -4.11 116.66 123.62 3fwp n ARG 6087Ca 0.05 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.73 3fwp n ARG 6087Cb 0.45 -0.65 -0.17 0.00 -1.16 0.00 0.00 32.46 30.94 3fwp n ARG 6087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3fwp s THR 6088N -1.27 0.97 -0.11 0.55 2.01 -0.62 -1.07 115.64 116.12 3fwp s THR 6088Ca 0.00 -0.36 0.03 0.00 0.31 0.00 0.00 61.69 61.67 3fwp s THR 6088Cb 0.00 -0.93 0.01 0.00 0.01 0.00 0.00 72.50 71.59 3fwp s THR 6088CO 0.00 0.33 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.69 3fwp s PHE 6089N 0.92 2.38 -0.30 4.92 0.40 0.76 -0.84 117.98 126.22 3fwp s PHE 6089Ca -0.10 -1.04 0.01 0.00 -0.60 0.00 0.00 56.93 55.20 3fwp s PHE 6089Cb -0.15 -1.62 0.07 0.00 0.51 0.00 0.00 43.02 41.83 3fwp s PHE 6089CO 0.01 -0.45 -0.01 -0.51 0.70 0.00 0.00 175.22 174.96 3fwp s LEU 6090N 0.55 4.03 0.05 -0.37 1.43 0.14 -0.66 118.68 123.86 3fwp s LEU 6090Ca -0.15 -1.56 -0.30 0.00 -1.03 0.00 0.00 54.13 51.09 3fwp s LEU 6090Cb -0.17 -1.65 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 3fwp s LEU 6090CO 0.05 -0.29 1.04 -0.60 0.23 0.00 0.00 176.35 176.78 3fwp s ARG 6091N 1.12 4.56 -0.23 1.70 3.52 -0.16 -0.44 118.95 129.01 3fwp s ARG 6091Ca -0.02 1.54 0.02 0.00 -0.13 0.00 0.00 55.73 57.14 3fwp s ARG 6091Cb -0.20 -3.40 0.05 0.00 -1.56 0.00 0.00 34.95 29.84 3fwp s ARG 6091CO -0.04 -0.04 -0.14 -1.50 -0.81 0.00 0.00 175.30 172.77 3fwp s ILE 6092N 0.71 2.12 0.31 4.11 1.10 -1.19 -1.29 121.20 127.07 3fwp s ILE 6092Ca 0.52 -1.40 0.02 0.00 -0.51 0.00 0.00 60.65 59.28 3fwp s ILE 6092Cb -0.24 -2.13 -0.01 0.00 0.15 0.00 0.00 42.46 40.23 3fwp s ILE 6092CO 0.29 0.16 0.06 0.61 -2.11 0.00 0.00 174.94 173.95 3fwp n GLY 6093N 4.50 3.61 3.60 1.50 0.00 -0.04 -3.96 105.19 114.40 3fwp n GLY 6093Ca -0.16 -2.16 -0.24 0.00 0.00 0.00 0.00 46.02 43.45 3fwp n GLY 6093CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fwp s THR 6094N -2.46 3.27 -0.03 2.61 -4.23 -1.26 -1.49 115.64 112.05 3fwp s THR 6094Ca 0.08 -1.87 -0.24 0.00 -1.18 0.00 0.00 61.69 58.49 3fwp s THR 6094Cb 0.00 -2.70 0.05 0.00 1.34 0.00 0.00 72.50 71.19 3fwp s THR 6094CO 0.06 -0.28 0.51 0.28 -0.54 0.00 0.00 174.62 174.65 3fwp s THR 6095N -2.12 0.03 -0.29 3.99 -1.32 -0.24 -4.82 115.64 110.86 3fwp s THR 6095Ca 0.29 -0.22 -0.13 0.00 -1.21 0.00 0.00 61.69 60.42 3fwp s THR 6095Cb -0.07 -0.83 -0.04 0.00 -1.51 0.00 0.00 72.50 70.05 3fwp s THR 6095CO 0.18 -0.12 0.27 -0.83 -2.21 0.00 0.00 174.62 171.91 3fwp s GLY 6096N -1.27 1.91 0.38 6.08 0.00 -0.93 -0.80 107.32 112.68 3fwp s GLY 6096Ca -0.12 -1.03 -0.25 0.00 0.00 0.00 0.00 44.72 43.32 3fwp s GLY 6096CO 0.07 0.80 1.10 0.00 0.00 0.00 0.00 173.10 175.06 3fwp s ALA 6097N 1.88 3.17 -0.43 3.20 0.00 0.52 -0.45 121.76 129.65 3fwp s ALA 6097Ca 0.10 0.82 0.04 0.00 0.00 0.00 0.00 51.96 52.92 3fwp s ALA 6097Cb -0.16 -3.32 0.04 0.00 0.00 0.00 0.00 23.12 19.68 3fwp s ALA 6097CO 0.11 -0.30 0.67 0.44 0.00 0.00 0.00 175.76 176.68 3fwp n ILE 6098N 0.22 0.13 -4.05 0.00 -5.35 -0.07 0.38 119.36 110.61 3fwp n ILE 6098Ca 0.04 -0.56 -0.35 0.00 -0.27 0.00 0.00 62.75 61.60 3fwp n ILE 6098Cb 0.48 1.00 -0.09 0.00 -1.74 0.00 0.00 39.64 39.29 3fwp n ILE 6098CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3fwp s GLN 6099N -0.39 3.62 0.51 6.28 -1.52 -1.24 -4.67 119.66 122.26 3fwp s GLN 6099Ca 0.05 -0.30 0.19 0.00 -1.95 0.00 0.00 55.36 53.35 3fwp s GLN 6099Cb 0.03 -3.12 1.31 0.00 -0.22 0.00 0.00 33.01 31.01 3fwp s GLN 6099CO 0.05 0.50 2.11 -1.00 -0.25 0.00 0.00 175.29 176.70 3fwp h PRO 6100N 5.90 0.00 -0.68 2.91 0.13 -1.96 -2.74 132.00 135.56 3fwp h PRO 6100Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3fwp h PRO 6100Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3fwp h PRO 6100CO 0.64 0.07 0.00 0.72 -0.23 0.00 0.00 178.00 179.20 3fwp n HIS 6101N -4.26 1.18 -3.14 1.56 8.25 -1.26 -4.85 115.22 112.70 3fwp n HIS 6101Ca -0.03 -0.55 -0.40 0.00 -0.26 0.00 0.00 57.72 56.48 3fwp n HIS 6101Cb 0.15 -0.11 -0.06 0.00 1.12 0.00 0.00 29.99 31.09 3fwp n HIS 6101CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3fwp s ILE 6102N -1.38 5.05 0.13 1.59 1.01 -1.04 -5.07 121.20 121.49 3fwp s ILE 6102Ca 0.49 1.18 -0.12 0.00 0.00 0.00 0.00 60.65 62.20 3fwp s ILE 6102Cb 0.28 -3.94 -0.06 0.00 0.01 0.00 0.00 42.46 38.75 3fwp s ILE 6102CO 0.29 0.16 0.49 0.21 0.00 0.00 0.00 174.94 176.09 3fwp s ASN 6103N 1.07 6.73 0.19 3.58 2.47 -1.26 -4.87 114.94 122.85 3fwp s ASN 6103Ca 0.29 0.95 -0.33 0.00 0.42 0.00 0.00 52.86 54.19 3fwp s ASN 6103Cb -0.16 -2.24 -0.15 0.00 -1.45 0.00 0.00 41.25 37.26 3fwp s ASN 6103CO 0.11 0.12 1.29 0.52 -3.72 0.00 0.00 177.10 175.42 3fwp n VAL 6104N 0.76 0.78 0.00 -5.21 0.31 -1.26 -1.35 118.33 112.35 3fwp n VAL 6104Ca -0.06 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 3fwp n VAL 6104Cb 0.52 -1.11 0.00 0.00 -0.91 0.00 0.00 33.84 32.34 3fwp n VAL 6104CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fwp n GLY 6105N 2.20 2.82 3.72 2.92 0.00 0.76 -4.95 105.19 112.66 3fwp n GLY 6105Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 3fwp n GLY 6105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fwp s ASP 6106N -1.29 4.25 -0.23 1.61 -0.00 -0.46 -4.63 116.67 115.92 3fwp s ASP 6106Ca 0.00 2.49 -0.09 0.00 -0.00 0.00 0.00 52.55 54.95 3fwp s ASP 6106Cb 0.00 -2.60 -0.04 0.00 -0.00 0.00 0.00 42.92 40.28 3fwp s ASP 6106CO 0.00 -2.23 0.10 -0.69 -0.00 0.00 0.00 175.17 172.35 3fwp s VAL 6107N -1.74 4.85 -0.22 -1.27 1.01 0.00 -1.75 120.40 121.28 3fwp s VAL 6107Ca 0.78 0.00 -0.04 0.00 0.00 0.00 0.00 61.98 62.72 3fwp s VAL 6107Cb -0.33 -3.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.80 3fwp s VAL 6107CO 0.44 0.37 -0.05 -0.76 0.00 0.00 0.00 175.10 175.10 3fwp s LEU 6108N 1.07 2.87 -0.25 3.92 1.43 0.10 -0.76 118.68 127.07 3fwp s LEU 6108Ca 0.05 -0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 52.66 3fwp s LEU 6108Cb -0.14 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.30 3fwp s LEU 6108CO 0.04 -0.01 0.17 -0.69 0.23 0.00 0.00 176.35 176.08 3fwp s VAL 6109N 1.43 5.32 -0.23 -1.59 1.01 0.30 -1.29 120.40 125.35 3fwp s VAL 6109Ca 0.05 0.17 -0.19 0.00 0.00 0.00 0.00 61.98 62.01 3fwp s VAL 6109Cb -0.14 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 3fwp s VAL 6109CO -0.03 0.32 0.57 -0.89 0.00 0.00 0.00 175.10 175.07 3fwp s THR 6110N 1.25 5.05 0.07 3.92 2.01 -0.66 -1.71 115.64 125.56 3fwp s THR 6110Ca 0.07 1.02 -0.10 0.00 0.31 0.00 0.00 61.69 63.00 3fwp s THR 6110Cb -0.14 -3.88 -0.29 0.00 0.01 0.00 0.00 72.50 68.20 3fwp s THR 6110CO 0.06 0.10 1.12 0.71 -0.69 0.00 0.00 174.62 175.92 3fwp h THR 6111N 5.28 1.38 -2.22 -0.82 1.35 -1.27 -3.41 112.91 113.20 3fwp h THR 6111Ca -0.30 -2.74 0.10 0.00 -0.55 0.00 0.00 66.41 62.92 3fwp h THR 6111Cb 1.14 2.84 -0.16 0.00 -1.73 0.00 0.00 68.15 70.24 3fwp h THR 6111CO 0.75 0.81 0.49 0.00 -0.25 0.00 0.00 175.52 177.32 3fwp s ALA 6112N -2.80 -1.83 0.03 6.62 0.00 -1.26 -0.55 121.76 121.98 3fwp s ALA 6112Ca -0.07 1.07 0.09 0.00 0.00 0.00 0.00 51.96 53.05 3fwp s ALA 6112Cb 0.06 0.31 -0.03 0.00 0.00 0.00 0.00 23.12 23.47 3fwp s ALA 6112CO 0.91 -0.65 -0.25 -1.12 0.00 0.00 0.00 175.76 174.65 3fwp s SER 6113N -2.34 3.21 -0.08 0.00 0.01 0.13 -1.93 113.70 112.71 3fwp s SER 6113Ca 0.04 -0.55 -0.30 0.00 1.31 0.00 0.00 55.95 56.45 3fwp s SER 6113Cb -0.01 -0.33 -0.04 0.00 0.21 0.00 0.00 66.02 65.85 3fwp s SER 6113CO -0.08 0.27 1.43 -0.69 0.41 0.00 0.00 173.24 174.59 3fwp s VAL 6114N -0.78 3.88 -1.18 3.43 1.01 0.14 -4.35 120.40 122.56 3fwp s VAL 6114Ca 0.12 1.13 -0.17 0.00 0.00 0.00 0.00 61.98 63.06 3fwp s VAL 6114Cb -0.10 -3.73 0.11 0.00 0.00 0.00 0.00 36.38 32.66 3fwp s VAL 6114CO 0.02 -0.07 1.52 -0.13 0.00 0.00 0.00 175.10 176.43 3fwp s ARG 6115N 3.35 3.92 -0.45 2.72 0.52 -1.26 -1.43 118.95 126.32 3fwp s ARG 6115Ca 0.64 -2.04 0.04 0.00 -0.52 0.00 0.00 55.73 53.84 3fwp s ARG 6115Cb -0.28 -5.27 0.64 0.00 0.52 0.00 0.00 34.95 30.55 3fwp s ARG 6115CO 0.23 -2.02 1.90 1.28 0.02 0.00 0.00 175.30 176.71 3fwp n LEU 6116N 7.31 6.69 -4.76 2.53 4.77 -0.52 -4.94 117.00 128.08 3fwp n LEU 6116Ca 0.39 -3.59 -0.31 0.00 -0.03 0.00 0.00 56.01 52.47 3fwp n LEU 6116Cb 0.46 -0.84 -0.07 0.00 -2.33 0.00 0.00 43.42 40.64 3fwp n LEU 6116CO 0.67 1.06 -0.23 1.51 -1.33 0.00 0.00 177.39 179.07 3fwp s ASP 6117N -1.26 4.15 -0.10 -1.43 3.84 -1.20 -1.57 116.67 119.10 3fwp s ASP 6117Ca 0.56 -1.56 0.06 0.00 -0.00 0.00 0.00 52.55 51.61 3fwp s ASP 6117Cb 0.47 0.36 -0.11 0.00 -1.38 0.00 0.00 42.92 42.26 3fwp s ASP 6117CO 0.10 -0.81 -0.01 0.61 -0.00 0.00 0.00 175.17 175.06 3fwp n GLY 6118N -1.27 -0.39 0.26 2.12 0.00 -1.26 -4.70 105.19 99.95 3fwp n GLY 6118Ca -0.15 -0.14 -0.03 0.00 0.00 0.00 0.00 46.02 45.70 3fwp n GLY 6118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fwp h ALA 6119N 0.34 1.19 -0.86 4.61 0.00 -1.98 -2.73 119.26 119.84 3fwp h ALA 6119Ca -0.27 -0.27 0.14 0.00 0.00 0.00 0.00 54.91 54.51 3fwp h ALA 6119Cb 1.55 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 19.12 3fwp h ALA 6119CO -0.00 0.52 0.56 0.66 0.00 0.00 0.00 179.25 180.99 3fwp h SER 6120N 0.54 0.61 0.66 0.00 4.64 -1.85 0.16 113.55 118.31 3fwp h SER 6120Ca 0.10 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3fwp h SER 6120Cb 0.50 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3fwp h SER 6120CO 0.03 0.31 0.00 -0.07 -0.87 0.00 0.00 176.83 176.23 3fwp h LEU 6121N 0.65 0.00 0.00 5.97 3.38 -1.59 -1.30 115.31 122.42 3fwp h LEU 6121Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.40 3fwp h LEU 6121Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3fwp h LEU 6121CO -0.18 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.76 3fwp n HIS 6122N -2.43 0.00 -0.01 1.13 8.25 0.04 -3.98 115.22 118.23 3fwp n HIS 6122Ca 0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.46 3fwp n HIS 6122Cb 0.21 -0.28 -0.01 0.00 1.12 0.00 0.00 29.99 31.04 3fwp n HIS 6122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3fwp n PHE 6123N -1.28 0.00 -3.67 4.41 3.01 -0.57 -5.08 117.46 114.27 3fwp n PHE 6123Ca 0.14 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.46 3fwp n PHE 6123Cb 0.23 -0.05 -0.08 0.00 -0.01 0.00 0.00 39.48 39.57 3fwp n PHE 6123CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3fwp s ALA 6124N -2.03 -1.28 1.00 4.37 0.00 -0.70 -5.01 121.76 118.12 3fwp s ALA 6124Ca -0.01 1.18 -0.12 0.00 0.00 0.00 0.00 51.96 53.01 3fwp s ALA 6124Cb 0.00 -0.46 0.19 0.00 0.00 0.00 0.00 23.12 22.85 3fwp s ALA 6124CO 0.04 -0.28 1.08 -1.25 0.00 0.00 0.00 175.76 175.36 3fwp s PRO 6125N -0.41 0.41 0.51 0.00 0.04 -1.26 -3.88 135.00 130.40 3fwp s PRO 6125Ca -0.06 1.02 0.17 0.00 0.04 0.00 0.00 61.00 62.18 3fwp s PRO 6125Cb -0.03 -1.69 1.26 0.00 0.04 0.00 0.00 34.50 34.07 3fwp s PRO 6125CO 0.04 -2.88 2.11 1.98 0.04 0.00 0.00 177.00 178.28 3fwp h MET 6126N -2.02 0.05 0.00 4.56 4.05 -1.94 -1.84 114.93 117.79 3fwp h MET 6126Ca -0.52 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 58.89 3fwp h MET 6126Cb 1.30 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 32.09 3fwp h MET 6126CO 0.50 0.03 -0.03 1.05 0.23 0.00 0.00 176.91 178.69 3fwp h GLU 6127N 0.05 0.00 -6.57 0.39 9.09 -2.03 -3.43 114.58 112.08 3fwp h GLU 6127Ca 0.07 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 58.96 3fwp h GLU 6127Cb 0.23 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.36 3fwp h GLU 6127CO -0.01 0.03 0.71 0.12 0.05 0.00 0.00 179.01 179.92 3fwp s PHE 6128N -3.96 3.25 0.11 2.06 2.19 -0.69 -4.99 117.98 115.95 3fwp s PHE 6128Ca -0.02 1.00 -0.30 0.00 0.33 0.00 0.00 56.93 57.94 3fwp s PHE 6128Cb 0.11 -3.67 -0.07 0.00 -1.31 0.00 0.00 43.02 38.09 3fwp s PHE 6128CO 0.50 -2.30 1.19 -1.25 1.83 0.00 0.00 175.22 175.19 3fwp s PRO 6129N 0.89 4.47 -1.43 10.12 0.04 -1.26 -4.93 135.00 142.90 3fwp s PRO 6129Ca 0.63 1.80 -0.14 0.00 0.04 0.00 0.00 61.00 63.33 3fwp s PRO 6129Cb -0.37 -3.31 0.01 0.00 0.04 0.00 0.00 34.50 30.88 3fwp s PRO 6129CO 0.32 -0.16 2.29 0.00 0.04 0.00 0.00 177.00 179.48 3fwp n ALA 6130N 3.31 5.63 -2.86 8.56 0.00 -1.26 -4.72 120.51 129.16 3fwp n ALA 6130Ca 0.07 -3.80 -0.37 0.00 0.00 0.00 0.00 53.44 49.34 3fwp n ALA 6130Cb 0.46 -3.52 -0.06 0.00 0.00 0.00 0.00 19.45 16.32 3fwp n ALA 6130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3fwp s VAL 6131N 3.20 5.40 0.63 0.00 0.11 -1.26 -0.69 120.40 127.79 3fwp s VAL 6131Ca 0.50 0.17 -0.15 0.00 -2.93 0.00 0.00 61.98 59.57 3fwp s VAL 6131Cb 0.14 -3.35 -0.02 0.00 -1.53 0.00 0.00 36.38 31.63 3fwp s VAL 6131CO -0.07 0.61 1.07 0.00 -3.33 0.00 0.00 175.10 173.38 3fwp s ALA 6132N -0.96 2.64 0.31 1.54 0.00 0.29 -4.69 121.76 120.89 3fwp s ALA 6132Ca 0.15 0.38 -0.29 0.00 0.00 0.00 0.00 51.96 52.20 3fwp s ALA 6132Cb -0.12 -3.25 -0.10 0.00 0.00 0.00 0.00 23.12 19.65 3fwp s ALA 6132CO 0.04 -1.03 1.35 0.34 0.00 0.00 0.00 175.76 176.46 3fwp s ASP 6133N -2.90 6.72 0.14 0.00 -1.08 0.25 -4.93 116.67 114.87 3fwp s ASP 6133Ca 0.64 2.70 -0.16 0.00 -0.52 0.00 0.00 52.55 55.20 3fwp s ASP 6133Cb -0.17 -2.64 -0.00 0.00 -1.46 0.00 0.00 42.92 38.65 3fwp s ASP 6133CO 0.41 -0.60 1.69 0.15 0.52 0.00 0.00 175.17 177.34 3fwp h PHE 6134N 3.86 0.61 -0.80 -5.34 3.57 -1.95 -1.22 116.94 115.68 3fwp h PHE 6134Ca -0.48 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 60.94 3fwp h PHE 6134Cb 1.22 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.74 3fwp h PHE 6134CO 0.57 0.54 0.36 0.00 -2.23 0.00 0.00 178.31 177.55 3fwp h ALA 6135N 1.01 1.03 -0.21 2.41 0.00 -1.95 -0.09 119.26 121.45 3fwp h ALA 6135Ca 0.14 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3fwp h ALA 6135Cb 0.18 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3fwp h ALA 6135CO -0.01 0.62 -0.01 0.00 0.00 0.00 0.00 179.25 179.84 3fwp h THR 6137N 0.14 1.12 -0.19 0.00 2.02 -1.08 -1.17 112.91 113.75 3fwp h THR 6137Ca 0.06 -0.29 0.03 0.00 0.77 0.00 0.00 66.41 66.98 3fwp h THR 6137Cb 0.43 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 3fwp h THR 6137CO 0.01 0.12 -0.02 0.74 0.37 0.00 0.00 175.52 176.75 3fwp h THR 6138N 0.47 0.84 -0.78 3.16 2.02 -0.97 -0.79 112.91 116.86 3fwp h THR 6138Ca 0.13 -0.01 0.06 0.00 0.77 0.00 0.00 66.41 67.36 3fwp h THR 6138Cb 0.01 0.81 -0.06 0.00 -1.74 0.00 0.00 68.15 67.17 3fwp h THR 6138CO -0.02 0.01 0.46 0.00 0.37 0.00 0.00 175.52 176.34 3fwp h ALA 6139N 1.17 1.07 -0.35 6.16 0.00 -0.91 0.35 119.26 126.74 3fwp h ALA 6139Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3fwp h ALA 6139Cb 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3fwp h ALA 6139CO -0.17 0.17 0.11 -0.07 0.00 0.00 0.00 179.25 179.30 3fwp h LEU 6140N 0.84 0.52 -0.34 0.00 3.38 -0.84 0.10 115.31 118.97 3fwp h LEU 6140Ca 0.35 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3fwp h LEU 6140Cb 0.19 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3fwp h LEU 6140CO -0.18 0.59 0.04 0.58 0.09 0.00 0.00 178.44 179.56 3fwp h VAL 6141N 0.42 1.24 -0.05 1.22 2.07 -0.79 -1.47 116.25 118.89 3fwp h VAL 6141Ca 0.11 -0.86 -0.12 0.00 0.82 0.00 0.00 66.70 66.66 3fwp h VAL 6141Cb 0.25 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3fwp h VAL 6141CO -0.00 0.29 -0.51 -0.33 0.02 0.00 0.00 177.57 177.04 3fwp h GLU 6142N 0.41 0.13 -0.32 1.57 5.08 -0.91 -2.20 114.58 118.33 3fwp h GLU 6142Ca 0.10 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 3fwp h GLU 6142Cb 0.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3fwp h GLU 6142CO 0.01 0.61 -0.30 0.00 -1.00 0.00 0.00 179.01 178.33 3fwp h ALA 6143N 1.38 0.87 -0.65 3.43 0.00 -0.87 -2.68 119.26 120.74 3fwp h ALA 6143Ca 0.00 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 3fwp h ALA 6143Cb 0.93 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 3fwp h ALA 6143CO 0.07 0.63 0.16 0.00 0.00 0.00 0.00 179.25 180.12 3fwp h ALA 6144N 1.08 0.85 0.00 0.00 0.00 -0.81 -2.84 119.26 117.54 3fwp h ALA 6144Ca 0.07 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 3fwp h ALA 6144Cb 0.80 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3fwp h ALA 6144CO 0.07 0.57 -0.44 1.57 0.00 0.00 0.00 179.25 181.01 3fwp h LYS 6145N 0.96 0.00 -0.37 0.00 5.09 -1.42 -1.34 116.57 119.49 3fwp h LYS 6145Ca 0.20 0.00 -0.04 0.00 0.09 0.00 0.00 60.65 60.90 3fwp h LYS 6145Cb 0.36 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.67 3fwp h LYS 6145CO 0.00 0.44 0.04 0.77 -2.09 0.00 0.00 179.45 178.61 3fwp h SER 6146N 0.00 0.52 -0.05 7.07 0.02 -1.24 -2.70 113.55 117.17 3fwp h SER 6146Ca -0.00 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 3fwp h SER 6146Cb 1.09 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.50 3fwp h SER 6146CO 0.06 0.56 0.00 2.30 -1.14 0.00 0.00 176.83 178.61 3fwp n ILE 6147N -4.30 0.05 -2.19 3.27 -5.35 -1.15 -5.00 119.36 104.71 3fwp n ILE 6147Ca 0.02 -0.53 -0.14 0.00 -0.27 0.00 0.00 62.75 61.83 3fwp n ILE 6147Cb 0.23 1.35 -0.01 0.00 -1.74 0.00 0.00 39.64 39.47 3fwp n ILE 6147CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fwp n GLY 6148N 1.09 -0.05 3.78 3.28 0.00 -0.57 -5.00 105.19 107.73 3fwp n GLY 6148Ca 0.12 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 3fwp n GLY 6148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fwp s ALA 6149N -2.70 2.87 -0.24 4.61 0.00 -0.82 -4.97 121.76 120.52 3fwp s ALA 6149Ca 0.00 0.78 -0.29 0.00 0.00 0.00 0.00 51.96 52.45 3fwp s ALA 6149Cb 0.00 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.77 3fwp s ALA 6149CO 0.00 -0.54 1.62 0.99 0.00 0.00 0.00 175.76 177.83 3fwp s THR 6150N -1.74 3.68 -0.02 0.00 2.01 -1.26 -4.78 115.64 113.53 3fwp s THR 6150Ca 0.67 0.76 0.05 0.00 0.31 0.00 0.00 61.69 63.47 3fwp s THR 6150Cb -0.23 -3.73 -0.01 0.00 0.01 0.00 0.00 72.50 68.54 3fwp s THR 6150CO 0.27 -0.33 -0.16 -0.89 -0.69 0.00 0.00 174.62 172.82 3fwp s THR 6151N 5.41 1.27 -0.03 -0.82 2.01 -1.26 -0.82 115.64 121.40 3fwp s THR 6151Ca 0.72 -0.66 0.06 0.00 0.31 0.00 0.00 61.69 62.12 3fwp s THR 6151Cb -0.24 -1.07 -0.01 0.00 0.01 0.00 0.00 72.50 71.19 3fwp s THR 6151CO 0.30 0.36 -0.21 -1.00 -0.69 0.00 0.00 174.62 173.38 3fwp s HIS 6152N -0.20 1.98 -0.10 4.92 3.76 0.06 -4.97 115.29 120.74 3fwp s HIS 6152Ca 0.02 -0.43 0.04 0.00 -0.15 0.00 0.00 55.06 54.55 3fwp s HIS 6152Cb -0.08 -1.28 -0.00 0.00 1.11 0.00 0.00 32.58 32.33 3fwp s HIS 6152CO 0.00 -0.08 -0.24 0.08 -0.85 0.00 0.00 174.74 173.66 3fwp s VAL 6153N -0.39 2.04 -4.68 -0.90 1.01 -1.26 -0.54 120.40 115.69 3fwp s VAL 6153Ca 0.05 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.02 3fwp s VAL 6153Cb -0.09 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.52 3fwp s VAL 6153CO 0.00 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.27 3fwp n GLY 6154N 3.48 -0.51 3.83 4.51 0.00 -0.69 -4.97 105.19 110.84 3fwp n GLY 6154Ca -0.19 -0.81 -0.37 0.00 0.00 0.00 0.00 46.02 44.65 3fwp n GLY 6154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fwp s VAL 6155N -3.80 4.79 -0.06 1.61 1.01 -1.26 -0.74 120.40 121.95 3fwp s VAL 6155Ca 0.00 1.04 0.05 0.00 0.00 0.00 0.00 61.98 63.07 3fwp s VAL 6155Cb 0.00 -3.82 -0.00 0.00 0.00 0.00 0.00 36.38 32.56 3fwp s VAL 6155CO 0.00 0.39 -0.20 -0.89 0.00 0.00 0.00 175.10 174.39 3fwp s THR 6156N -1.30 1.71 -0.21 3.92 2.01 -0.81 -0.73 115.64 120.22 3fwp s THR 6156Ca 0.34 -0.86 -0.26 0.00 0.31 0.00 0.00 61.69 61.22 3fwp s THR 6156Cb -0.17 -1.46 -0.01 0.00 0.01 0.00 0.00 72.50 70.87 3fwp s THR 6156CO 0.19 0.48 0.87 0.00 -0.69 0.00 0.00 174.62 175.47 3fwp s ALA 6157N 0.06 3.60 -0.32 7.40 0.00 -0.01 0.26 121.76 132.75 3fwp s ALA 6157Ca -0.07 -0.01 -0.03 0.00 0.00 0.00 0.00 51.96 51.86 3fwp s ALA 6157Cb -0.14 -3.32 0.06 0.00 0.00 0.00 0.00 23.12 19.72 3fwp s ALA 6157CO 0.04 -0.85 0.05 0.45 0.00 0.00 0.00 175.76 175.45 3fwp s SER 6158N 1.25 5.03 -0.06 0.00 0.15 -0.52 -1.72 113.70 117.83 3fwp s SER 6158Ca 0.38 -1.36 -0.01 0.00 0.70 0.00 0.00 55.95 55.67 3fwp s SER 6158Cb -0.16 -1.76 -0.03 0.00 -1.71 0.00 0.00 66.02 62.36 3fwp s SER 6158CO 0.09 -0.31 -0.00 -0.55 1.20 0.00 0.00 173.24 173.67 3fwp s SER 6159N 1.36 5.16 0.00 5.45 0.15 0.38 -1.44 113.70 124.76 3fwp s SER 6159Ca -0.03 0.08 0.18 0.00 0.70 0.00 0.00 55.95 56.89 3fwp s SER 6159Cb -0.20 -1.41 0.86 0.00 -1.71 0.00 0.00 66.02 63.56 3fwp s SER 6159CO -0.01 0.34 1.56 0.47 1.20 0.00 0.00 173.24 176.81 3fwp n ASP 6160N 1.89 0.00 -4.25 5.45 10.43 -0.61 -4.33 116.55 125.14 3fwp n ASP 6160Ca -0.17 0.22 -0.17 0.00 2.57 0.00 0.00 54.79 57.24 3fwp n ASP 6160Cb 0.53 -0.38 -0.11 0.00 1.84 0.00 0.00 41.12 43.01 3fwp n ASP 6160CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 3fwp s THR 6161N -2.75 1.31 0.05 -3.53 -4.23 -1.26 -5.01 115.64 100.22 3fwp s THR 6161Ca 0.14 -1.79 0.01 0.00 -1.18 0.00 0.00 61.69 58.87 3fwp s THR 6161Cb 0.12 -1.60 -0.25 0.00 1.34 0.00 0.00 72.50 72.11 3fwp s THR 6161CO 0.30 -0.48 1.04 0.15 -0.54 0.00 0.00 174.62 175.09 3fwp h PHE 6162N 3.36 0.28 0.00 3.99 3.04 -1.97 -3.38 116.94 122.26 3fwp h PHE 6162Ca -0.39 -0.20 0.00 0.00 3.98 0.00 0.00 57.97 61.35 3fwp h PHE 6162Cb 1.20 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.70 3fwp h PHE 6162CO 0.66 1.20 0.00 0.66 -2.02 0.00 0.00 178.31 178.80 3fwp n TYR 6163N -3.40 0.00 -0.06 0.41 4.02 -1.26 -4.31 117.16 112.55 3fwp n TYR 6163Ca -0.09 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.75 3fwp n TYR 6163Cb 1.01 0.00 0.16 0.00 -0.02 0.00 0.00 39.34 40.49 3fwp n TYR 6163CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3fwp h PRO 6164N 0.00 0.69 0.00 -0.72 0.13 -1.88 -0.60 132.00 129.62 3fwp h PRO 6164Ca 0.00 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 3fwp h PRO 6164Cb 0.00 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.07 3fwp h PRO 6164CO 0.00 0.79 0.00 0.78 -0.23 0.00 0.00 178.00 179.34 3fwp h GLY 6165N 0.97 0.00 -2.29 1.56 0.00 -1.87 0.27 103.07 101.72 3fwp h GLY 6165Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 3fwp h GLY 6165CO 0.04 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.52 3fwp n GLN 6166N -2.56 3.54 -4.08 4.80 6.02 -0.84 -4.91 117.38 119.35 3fwp n GLN 6166Ca 0.01 -2.83 -0.28 0.00 -0.01 0.00 0.00 57.00 53.89 3fwp n GLN 6166Cb 0.23 -1.88 -0.04 0.00 1.02 0.00 0.00 30.24 29.57 3fwp n GLN 6166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3fwp n GLU 6167N 0.18 -2.67 -3.17 -1.09 2.13 0.08 -4.92 120.64 111.18 3fwp n GLU 6167Ca 0.22 0.32 -0.39 0.00 0.66 0.00 0.00 57.16 57.98 3fwp n GLU 6167Cb 0.91 -4.37 -0.05 0.00 0.27 0.00 0.00 31.44 28.19 3fwp n GLU 6167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3fwp s ARG 6168N -6.81 4.37 -0.01 5.31 0.52 -0.29 -4.98 118.95 117.06 3fwp s ARG 6168Ca 0.10 0.71 0.16 0.00 -0.52 0.00 0.00 55.73 56.18 3fwp s ARG 6168Cb -0.06 -3.41 -0.20 0.00 0.52 0.00 0.00 34.95 31.81 3fwp s ARG 6168CO 0.92 0.20 0.56 0.66 0.02 0.00 0.00 175.30 177.66 3fwp n TYR 6169N 3.37 0.00 -1.94 -0.53 4.02 -1.26 -4.40 117.16 116.42 3fwp n TYR 6169Ca -0.05 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.42 3fwp n TYR 6169Cb 0.51 -0.12 0.00 0.00 -0.02 0.00 0.00 39.34 39.71 3fwp n TYR 6169CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3fwp n ASP 6170N -1.60 4.23 -4.11 7.72 8.00 -1.26 -4.08 116.55 125.45 3fwp n ASP 6170Ca 0.01 -2.90 -0.19 0.00 0.71 0.00 0.00 54.79 52.42 3fwp n ASP 6170Cb 0.30 -1.63 -0.09 0.00 -0.02 0.00 0.00 41.12 39.68 3fwp n ASP 6170CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3fwp s THR 6171N 2.68 0.44 0.18 -3.53 -4.23 -1.26 -5.00 115.64 104.92 3fwp s THR 6171Ca 0.46 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.83 3fwp s THR 6171Cb 0.12 -2.55 0.13 0.00 1.34 0.00 0.00 72.50 71.54 3fwp s THR 6171CO -0.06 0.00 1.68 0.22 -0.54 0.00 0.00 174.62 175.92 3fwp h TYR 6172N 2.22 -0.07 0.00 3.99 5.03 -1.99 -2.93 116.97 123.23 3fwp h TYR 6172Ca -0.35 0.04 -0.17 0.00 2.58 0.00 0.00 58.73 60.83 3fwp h TYR 6172Cb 1.25 0.10 -0.03 0.00 1.55 0.00 0.00 36.73 39.61 3fwp h TYR 6172CO 0.89 -0.13 -1.31 0.66 -1.32 0.00 0.00 178.16 176.96 3fwp h SER 6173N 0.09 0.00 -0.42 -2.11 4.64 -1.97 -3.48 113.55 110.31 3fwp h SER 6173Ca 0.24 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.38 3fwp h SER 6173Cb 0.37 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.38 3fwp h SER 6173CO -0.42 0.60 -0.16 0.61 -0.87 0.00 0.00 176.83 176.59 3fwp n GLY 6174N 1.38 0.95 3.52 -0.77 0.00 -1.11 -4.98 105.19 104.17 3fwp n GLY 6174Ca -0.08 -0.16 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 3fwp n GLY 6174CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fwp s ARG 6175N -2.52 1.87 -0.07 1.61 0.52 -1.26 -4.92 118.95 114.18 3fwp s ARG 6175Ca 0.00 -1.27 0.01 0.00 -0.52 0.00 0.00 55.73 53.95 3fwp s ARG 6175Cb 0.00 -2.10 0.02 0.00 0.52 0.00 0.00 34.95 33.39 3fwp s ARG 6175CO 0.00 0.45 -0.09 0.08 0.02 0.00 0.00 175.30 175.76 3fwp s VAL 6176N -1.48 0.92 0.64 3.52 1.01 -1.26 -4.89 120.40 118.86 3fwp s VAL 6176Ca 0.22 -0.32 -0.17 0.00 0.00 0.00 0.00 61.98 61.71 3fwp s VAL 6176Cb -0.09 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 3fwp s VAL 6176CO 0.12 0.32 0.91 0.55 0.00 0.00 0.00 175.10 177.00 3fwp n VAL 6177N 4.16 3.36 -0.32 2.92 3.14 -1.26 -4.51 118.33 125.83 3fwp n VAL 6177Ca -0.21 -0.46 0.08 0.00 -2.96 0.00 0.00 64.34 60.79 3fwp n VAL 6177Cb 0.51 -1.08 0.18 0.00 -1.06 0.00 0.00 33.84 32.39 3fwp n VAL 6177CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 3fwp h ARG 6178N 0.19 0.02 -0.91 1.45 2.43 -2.00 -0.78 114.38 114.78 3fwp h ARG 6178Ca -0.48 -0.00 0.19 0.00 -0.81 0.00 0.00 59.98 58.88 3fwp h ARG 6178Cb 1.36 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.83 3fwp h ARG 6178CO 0.49 0.01 0.59 -0.09 -1.51 0.00 0.00 179.97 179.46 3fwp h ARG 6179N 0.02 0.49 -0.01 0.20 2.43 -2.02 -2.58 114.38 112.91 3fwp h ARG 6179Ca 0.48 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.63 3fwp h ARG 6179Cb 0.85 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 3fwp h ARG 6179CO -0.89 0.32 -0.48 1.19 -1.51 0.00 0.00 179.97 178.60 3fwp n PHE 6180N -4.55 0.00 -1.83 2.20 3.01 -0.36 -4.73 117.46 111.20 3fwp n PHE 6180Ca 0.19 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.23 3fwp n PHE 6180Cb 0.64 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.08 3fwp n PHE 6180CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3fwp s LYS 6181N -2.13 4.17 0.00 -1.08 1.02 -0.86 -1.67 119.74 119.19 3fwp s LYS 6181Ca 0.11 2.42 0.00 0.00 0.02 0.00 0.00 55.97 58.53 3fwp s LYS 6181Cb 0.13 -3.91 0.00 0.00 -0.52 0.00 0.00 37.83 33.53 3fwp s LYS 6181CO 0.50 -0.86 0.00 0.41 -0.92 0.00 0.00 175.35 174.48 3fwp n GLY 6182N 4.26 0.57 0.28 -3.33 0.00 -1.26 -4.93 105.19 100.79 3fwp n GLY 6182Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 3fwp n GLY 6182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3fwp h SER 6183N 0.00 1.02 -0.67 1.61 4.64 -1.61 -2.90 113.55 115.64 3fwp h SER 6183Ca 0.00 -0.39 -0.00 0.00 -0.47 0.00 0.00 61.79 60.93 3fwp h SER 6183Cb 0.10 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 61.88 3fwp h SER 6183CO 0.00 1.19 0.40 -0.03 -0.87 0.00 0.00 176.83 177.52 3fwp h MET 6184N 0.85 0.92 -0.95 4.77 -1.53 -1.92 -0.19 114.93 116.88 3fwp h MET 6184Ca 0.11 -0.09 0.00 0.00 -3.44 0.00 0.00 59.70 56.29 3fwp h MET 6184Cb 0.80 -0.19 -0.05 0.00 -0.55 0.00 0.00 31.60 31.61 3fwp h MET 6184CO 0.07 0.66 0.61 1.49 0.14 0.00 0.00 176.91 179.87 3fwp h GLU 6185N 0.92 1.27 0.25 0.39 4.22 -1.96 -0.49 114.58 119.18 3fwp h GLU 6185Ca 0.24 -0.10 -0.01 0.00 0.08 0.00 0.00 59.36 59.57 3fwp h GLU 6185Cb -0.02 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 28.95 3fwp h GLU 6185CO -0.04 0.87 -0.12 0.93 -2.18 0.00 0.00 179.01 178.46 3fwp h GLU 6186N 1.30 -0.32 -0.96 1.92 5.08 -1.15 -0.52 114.58 119.93 3fwp h GLU 6186Ca 0.35 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.76 3fwp h GLU 6186Cb -0.11 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.16 3fwp h GLU 6186CO -0.07 -0.13 0.62 -1.49 -1.00 0.00 0.00 179.01 176.94 3fwp h TRP 6187N -0.44 1.17 -0.17 4.33 -0.00 -0.91 -1.16 115.95 118.76 3fwp h TRP 6187Ca -0.03 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 3fwp h TRP 6187Cb 0.33 -0.39 -0.01 0.00 -0.00 0.00 0.00 29.16 29.10 3fwp h TRP 6187CO -0.03 0.67 0.11 0.37 -0.00 0.00 0.00 178.44 179.56 3fwp h GLN 6188N 1.20 0.23 -0.14 0.49 4.15 -0.92 -1.08 115.11 119.04 3fwp h GLN 6188Ca 0.38 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.78 3fwp h GLN 6188Cb 0.01 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 3fwp h GLN 6188CO -0.12 0.18 0.09 0.00 -1.93 0.00 0.00 178.83 177.04 3fwp h ALA 6189N 1.04 1.89 -0.06 3.38 0.00 -0.64 -1.42 119.26 123.44 3fwp h ALA 6189Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3fwp h ALA 6189Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3fwp h ALA 6189CO -0.01 0.10 0.00 -1.33 0.00 0.00 0.00 179.25 178.01 3fwp n MET 6190N -4.51 1.26 -0.99 0.00 2.81 -0.48 -4.91 117.12 110.30 3fwp n MET 6190Ca -0.01 -0.40 0.00 0.00 -1.81 0.00 0.00 57.70 55.48 3fwp n MET 6190Cb 0.08 -1.32 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 3fwp n MET 6190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3fwp n GLY 6191N 0.90 0.56 3.75 3.03 0.00 -0.54 -5.01 105.19 107.88 3fwp n GLY 6191Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3fwp n GLY 6191CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fwp s VAL 6192N -2.21 2.23 0.03 1.61 1.01 -0.48 -4.63 120.40 117.96 3fwp s VAL 6192Ca 0.00 0.19 -0.05 0.00 0.00 0.00 0.00 61.98 62.12 3fwp s VAL 6192Cb 0.00 -3.12 -0.29 0.00 0.00 0.00 0.00 36.38 32.97 3fwp s VAL 6192CO 0.00 0.03 0.96 0.24 0.00 0.00 0.00 175.10 176.33 3fwp h MET 6193N 4.94 0.29 -2.44 2.72 0.00 -1.26 -3.42 114.93 115.76 3fwp h MET 6193Ca -0.47 -0.50 0.13 0.00 0.00 0.00 0.00 59.70 58.87 3fwp h MET 6193Cb 1.22 0.18 -0.10 0.00 0.00 0.00 0.00 31.60 32.90 3fwp h MET 6193CO 0.79 1.19 0.44 0.54 0.00 0.00 0.00 176.91 179.87 3fwp s ASN 6194N -7.10 -0.27 -0.06 1.22 4.22 -1.26 -0.89 114.94 110.79 3fwp s ASN 6194Ca -0.08 -0.28 0.03 0.00 -2.14 0.00 0.00 52.86 50.39 3fwp s ASN 6194Cb 0.07 0.49 -0.02 0.00 1.28 0.00 0.00 41.25 43.06 3fwp s ASN 6194CO 0.87 -0.87 -0.13 -0.31 -2.04 0.00 0.00 177.10 174.62 3fwp s TYR 6195N -3.34 2.74 0.00 1.54 2.02 0.41 -0.83 117.35 119.89 3fwp s TYR 6195Ca 0.09 -0.20 0.00 0.00 -0.37 0.00 0.00 57.07 56.59 3fwp s TYR 6195Cb -0.02 -1.67 0.00 0.00 -0.40 0.00 0.00 41.96 39.88 3fwp s TYR 6195CO -0.02 0.15 0.00 -0.85 -1.57 0.00 0.00 175.55 173.26 3fwp n GLU 6196N 2.47 0.00 0.00 -0.62 -0.00 -0.70 -2.20 120.64 119.58 3fwp n GLU 6196Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.99 3fwp n GLU 6196Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.96 3fwp n GLU 6196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3fwp n MET 6197N 0.00 -0.04 0.00 3.44 2.81 -1.26 -0.47 117.12 121.60 3fwp n MET 6197Ca 0.00 -0.38 0.00 0.00 -1.81 0.00 0.00 57.70 55.51 3fwp n MET 6197Cb 0.00 -0.72 0.00 0.00 -0.71 0.00 0.00 33.22 31.79 3fwp n MET 6197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3fwp n GLU 6198N -0.05 2.42 -0.05 0.03 4.71 -1.26 -3.30 120.64 123.13 3fwp n GLU 6198Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.16 57.11 3fwp n GLU 6198Cb 0.20 -0.87 0.17 0.00 -1.01 0.00 0.00 31.44 29.93 3fwp n GLU 6198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 3fwp h SER 6199N 0.00 0.65 -0.40 1.62 4.64 -1.94 -1.83 113.55 116.28 3fwp h SER 6199Ca 0.00 -0.19 0.02 0.00 -0.47 0.00 0.00 61.79 61.15 3fwp h SER 6199Cb 0.45 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.34 3fwp h SER 6199CO 0.00 0.81 0.23 0.00 -0.87 0.00 0.00 176.83 177.00 3fwp h ALA 6200N 1.26 0.51 0.47 5.18 0.00 -1.87 0.30 119.26 125.11 3fwp h ALA 6200Ca 0.10 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3fwp h ALA 6200Cb 0.58 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3fwp h ALA 6200CO 0.04 -0.11 -0.22 1.15 0.00 0.00 0.00 179.25 180.11 3fwp h THR 6201N 0.47 0.48 -0.08 0.00 2.02 -1.85 -2.01 112.91 111.93 3fwp h THR 6201Ca 0.16 -0.35 0.04 0.00 0.77 0.00 0.00 66.41 67.04 3fwp h THR 6201Cb 0.02 0.63 -0.06 0.00 -1.74 0.00 0.00 68.15 67.00 3fwp h THR 6201CO -0.08 0.06 -0.32 0.25 0.37 0.00 0.00 175.52 175.79 3fwp h LEU 6202N -0.85 -0.99 -0.47 2.58 5.85 -1.20 0.01 115.31 120.24 3fwp h LEU 6202Ca -0.06 0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.71 3fwp h LEU 6202Cb 0.57 0.41 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 3fwp h LEU 6202CO 0.11 -0.37 -0.03 -0.07 -0.34 0.00 0.00 178.44 177.73 3fwp h LEU 6203N -0.43 0.84 0.13 2.25 3.38 -0.44 -1.74 115.31 119.29 3fwp h LEU 6203Ca 0.08 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 3fwp h LEU 6203Cb 0.55 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3fwp h LEU 6203CO -0.32 0.96 -0.06 0.74 0.09 0.00 0.00 178.44 179.84 3fwp h THR 6204N 0.69 0.96 -0.19 0.22 2.02 -1.24 -0.80 112.91 114.57 3fwp h THR 6204Ca 0.13 -0.35 -0.04 0.00 0.77 0.00 0.00 66.41 66.92 3fwp h THR 6204Cb 0.55 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 3fwp h THR 6204CO 0.03 0.08 -0.05 0.00 0.37 0.00 0.00 175.52 175.95 3fwp h MET 6205N -0.33 0.29 0.01 6.66 -0.00 -0.92 -2.14 114.93 118.49 3fwp h MET 6205Ca -0.02 -0.05 -0.01 0.00 -0.00 0.00 0.00 59.70 59.61 3fwp h MET 6205Cb 0.27 -0.05 0.00 0.00 -0.00 0.00 0.00 31.60 31.82 3fwp h MET 6205CO 0.03 0.37 -0.06 0.00 -0.00 0.00 0.00 176.91 177.25 3fwp h ALA 6207N 0.10 1.39 -0.36 0.00 0.00 -1.06 -0.84 119.26 118.49 3fwp h ALA 6207Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3fwp h ALA 6207Cb 0.95 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3fwp h ALA 6207CO 0.01 0.07 0.00 -1.13 0.00 0.00 0.00 179.25 178.20 3fwp n SER 6208N -3.72 3.17 -0.34 0.00 3.41 -0.81 -4.32 113.62 111.00 3fwp n SER 6208Ca -0.02 -1.95 0.02 0.00 -0.26 0.00 0.00 58.87 56.65 3fwp n SER 6208Cb 0.15 -0.23 0.02 0.00 -0.26 0.00 0.00 64.21 63.89 3fwp n SER 6208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fwp n GLN 6209N 1.30 0.33 -1.83 4.33 6.02 -0.63 -5.01 117.38 121.89 3fwp n GLN 6209Ca 0.19 -1.23 -0.12 0.00 -0.01 0.00 0.00 57.00 55.83 3fwp n GLN 6209Cb 0.56 -0.69 -0.03 0.00 1.02 0.00 0.00 30.24 31.10 3fwp n GLN 6209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3fwp n GLY 6210N -0.27 0.51 3.65 1.08 0.00 -1.04 -5.02 105.19 104.10 3fwp n GLY 6210Ca 0.03 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 3fwp n GLY 6210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fwp s LEU 6211N -3.11 3.40 -0.04 0.99 1.43 -0.42 -5.05 118.68 115.88 3fwp s LEU 6211Ca 0.00 -0.01 -0.18 0.00 -1.03 0.00 0.00 54.13 52.91 3fwp s LEU 6211Cb 0.00 -1.88 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 3fwp s LEU 6211CO 0.00 0.31 0.50 -0.13 0.23 0.00 0.00 176.35 177.26 3fwp s ARG 6212N -1.27 4.22 -0.00 1.70 0.52 -0.23 -3.75 118.95 120.14 3fwp s ARG 6212Ca 0.17 0.54 0.01 0.00 -0.52 0.00 0.00 55.73 55.93 3fwp s ARG 6212Cb -0.11 -3.34 -0.00 0.00 0.52 0.00 0.00 34.95 32.01 3fwp s ARG 6212CO 0.07 0.38 -0.04 0.00 0.02 0.00 0.00 175.30 175.72 3fwp s ALA 6213N -0.14 0.34 0.21 2.13 0.00 -1.26 -0.17 121.76 122.87 3fwp s ALA 6213Ca 0.27 -0.19 0.09 0.00 0.00 0.00 0.00 51.96 52.13 3fwp s ALA 6213Cb -0.17 -0.08 -0.05 0.00 0.00 0.00 0.00 23.12 22.83 3fwp s ALA 6213CO 0.14 0.08 -0.18 0.20 0.00 0.00 0.00 175.76 176.00 3fwp s GLY 6214N -0.14 1.54 -0.04 0.00 0.00 0.17 -0.58 107.32 108.27 3fwp s GLY 6214Ca 0.01 -1.66 -0.02 0.00 0.00 0.00 0.00 44.72 43.06 3fwp s GLY 6214CO -0.00 -1.74 0.06 -0.29 0.00 0.00 0.00 173.10 171.13 3fwp s MET 6215N -3.29 -0.05 -0.01 2.90 1.75 -1.26 -0.99 119.30 118.34 3fwp s MET 6215Ca 0.22 0.33 -0.03 0.00 -1.25 0.00 0.00 55.69 54.97 3fwp s MET 6215Cb -0.04 -0.39 0.00 0.00 2.84 0.00 0.00 34.83 37.24 3fwp s MET 6215CO 0.09 -0.27 0.06 0.54 -0.65 0.00 0.00 175.02 174.79 3fwp s VAL 6216N 1.79 0.04 -0.02 10.11 0.11 -0.41 -1.66 120.40 130.35 3fwp s VAL 6216Ca -0.00 -0.29 -0.11 0.00 -2.93 0.00 0.00 61.98 58.64 3fwp s VAL 6216Cb -0.12 -0.19 0.02 0.00 -1.53 0.00 0.00 36.38 34.55 3fwp s VAL 6216CO -0.03 -0.16 0.25 0.00 -3.33 0.00 0.00 175.10 171.82 3fwp s ALA 6217N -0.49 -0.61 -0.06 1.54 0.00 -0.41 -0.86 121.76 120.87 3fwp s ALA 6217Ca -0.06 0.24 -0.14 0.00 0.00 0.00 0.00 51.96 52.01 3fwp s ALA 6217Cb -0.04 0.00 -0.05 0.00 0.00 0.00 0.00 23.12 23.04 3fwp s ALA 6217CO 0.00 -0.22 0.35 0.20 0.00 0.00 0.00 175.76 176.09 3fwp s GLY 6218N -1.10 2.37 -0.09 0.00 0.00 -0.55 -0.73 107.32 107.22 3fwp s GLY 6218Ca -0.12 -0.33 -0.30 0.00 0.00 0.00 0.00 44.72 43.98 3fwp s GLY 6218CO 0.03 0.19 1.13 0.14 0.00 0.00 0.00 173.10 174.58 3fwp s VAL 6219N -0.59 4.46 -0.31 1.40 1.01 -0.72 -1.08 120.40 124.56 3fwp s VAL 6219Ca 0.21 1.76 0.07 0.00 0.00 0.00 0.00 61.98 64.03 3fwp s VAL 6219Cb -0.15 -4.14 -0.08 0.00 0.00 0.00 0.00 36.38 32.01 3fwp s VAL 6219CO 0.10 -0.01 0.29 2.30 0.00 0.00 0.00 175.10 177.78 3fwp n ILE 6220N 4.66 0.00 -3.64 2.22 -5.35 0.02 -0.17 119.36 117.10 3fwp n ILE 6220Ca 0.10 -0.32 -0.15 0.00 -0.27 0.00 0.00 62.75 62.12 3fwp n ILE 6220Cb 0.47 0.95 -0.08 0.00 -1.74 0.00 0.00 39.64 39.24 3fwp n ILE 6220CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3fwp s VAL 6221N -1.74 0.00 -0.34 7.28 0.11 -1.23 -4.61 120.40 119.87 3fwp s VAL 6221Ca 0.02 -0.04 -0.10 0.00 -2.93 0.00 0.00 61.98 58.93 3fwp s VAL 6221Cb 0.05 -0.87 0.01 0.00 -1.53 0.00 0.00 36.38 34.04 3fwp s VAL 6221CO 0.30 -0.02 0.18 0.21 -3.33 0.00 0.00 175.10 172.43 3fwp s ASN 6222N -0.13 5.63 0.15 3.54 3.84 -1.26 -0.35 114.94 126.36 3fwp s ASN 6222Ca -0.03 -0.77 0.22 0.00 0.21 0.00 0.00 52.86 52.48 3fwp s ASN 6222Cb -0.03 -2.01 0.87 0.00 -0.55 0.00 0.00 41.25 39.53 3fwp s ASN 6222CO 0.03 -0.29 1.66 0.54 -2.79 0.00 0.00 177.10 176.25 3fwp n ARG 6223N 4.98 0.13 0.06 0.43 5.12 0.16 -1.58 116.66 125.97 3fwp n ARG 6223Ca -0.13 0.31 0.10 0.00 -1.93 0.00 0.00 57.85 56.20 3fwp n ARG 6223Cb 0.47 -1.72 0.42 0.00 -1.16 0.00 0.00 32.46 30.47 3fwp n ARG 6223CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3fwp n THR 6224N -1.96 0.83 -0.03 0.55 -2.24 -1.26 -3.97 114.28 106.20 3fwp n THR 6224Ca 0.03 0.19 -0.04 0.00 -2.27 0.00 0.00 64.05 61.95 3fwp n THR 6224Cb 0.25 -1.00 -0.02 0.00 -2.10 0.00 0.00 70.33 67.45 3fwp n THR 6224CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fwp n GLN 6225N -1.86 0.13 -3.55 -0.78 6.02 -0.61 -5.10 117.38 111.63 3fwp n GLN 6225Ca 0.03 0.04 -0.13 0.00 -0.01 0.00 0.00 57.00 56.93 3fwp n GLN 6225Cb 0.23 -1.00 -0.05 0.00 1.02 0.00 0.00 30.24 30.44 3fwp n GLN 6225CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 3fwp s GLN 6226N -2.11 1.09 0.08 -1.09 -2.07 -0.88 -5.06 119.66 109.62 3fwp s GLN 6226Ca -0.08 -0.31 -0.05 0.00 -1.82 0.00 0.00 55.36 53.11 3fwp s GLN 6226Cb 0.02 0.50 -0.27 0.00 -1.09 0.00 0.00 33.01 32.17 3fwp s GLN 6226CO 0.12 -0.41 1.15 0.93 -1.32 0.00 0.00 175.29 175.76 3fwp h GLU 6227N 2.58 0.29 -4.18 9.60 5.08 -1.86 -3.32 114.58 122.76 3fwp h GLU 6227Ca -0.32 -0.47 -0.33 0.00 -1.00 0.00 0.00 59.36 57.24 3fwp h GLU 6227Cb 1.23 0.17 -0.30 0.00 0.50 0.00 0.00 28.75 30.36 3fwp h GLU 6227CO 0.41 1.21 -0.75 0.42 -1.00 0.00 0.00 179.01 179.30 3fwp s ILE 6228N -2.71 0.38 0.80 3.13 1.01 -1.26 -4.98 121.20 117.57 3fwp s ILE 6228Ca -0.04 -0.16 -0.13 0.00 0.00 0.00 0.00 60.65 60.31 3fwp s ILE 6228Cb 0.07 -0.35 0.08 0.00 0.01 0.00 0.00 42.46 42.27 3fwp s ILE 6228CO 0.88 0.13 1.19 -2.84 0.00 0.00 0.00 174.94 174.30 3fwp s PRO 6229N 0.14 1.70 0.18 2.79 0.02 -1.26 -5.08 135.00 133.49 3fwp s PRO 6229Ca -0.01 1.69 -0.10 0.00 0.02 0.00 0.00 61.00 62.60 3fwp s PRO 6229Cb -0.05 -1.79 0.09 0.00 0.02 0.00 0.00 34.50 32.77 3fwp s PRO 6229CO -0.00 -2.15 1.71 -0.91 -0.33 0.00 0.00 177.00 175.32 3fwp h ASN 6230N -0.91 0.94 -3.00 2.53 2.35 -2.01 -3.53 115.58 111.96 3fwp h ASN 6230Ca -0.46 -0.21 -0.60 0.00 -0.55 0.00 0.00 56.30 54.48 3fwp h ASN 6230Cb 1.29 -0.25 -0.40 0.00 0.05 0.00 0.00 38.32 39.01 3fwp h ASN 6230CO 0.47 0.91 -0.80 -0.44 -1.65 0.00 0.00 177.43 175.91 3fwp s SER 6239N -6.28 3.15 0.02 5.81 0.01 -1.26 -5.23 113.70 109.92 3fwp s SER 6239Ca -0.12 -2.68 -0.25 0.00 1.31 0.00 0.00 55.95 54.21 3fwp s SER 6239Cb 0.14 -0.79 -0.17 0.00 0.21 0.00 0.00 66.02 65.40 3fwp s SER 6239CO 0.82 -0.25 1.32 0.45 0.41 0.00 0.00 173.24 176.00 3fwp h HIS 6240N 6.51 -0.28 -0.54 2.43 -0.00 -2.00 -1.06 115.15 120.21 3fwp h HIS 6240Ca 0.07 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.43 3fwp h HIS 6240Cb 0.92 0.09 -0.03 0.00 -0.00 0.00 0.00 27.41 28.40 3fwp h HIS 6240CO 0.45 0.04 0.30 0.00 -0.00 0.00 0.00 177.93 178.72 3fwp h ALA 6241N 0.06 1.52 -0.38 2.45 0.00 -1.93 -2.07 119.26 118.92 3fwp h ALA 6241Ca -0.03 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 3fwp h ALA 6241Cb 0.44 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3fwp h ALA 6241CO 0.05 0.41 -0.03 0.28 0.00 0.00 0.00 179.25 179.96 3fwp h VAL 6242N 0.74 1.27 -0.66 0.00 2.07 -1.93 -1.38 116.25 116.36 3fwp h VAL 6242Ca 0.19 -1.05 0.02 0.00 0.82 0.00 0.00 66.70 66.68 3fwp h VAL 6242Cb 0.01 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 3fwp h VAL 6242CO -0.03 0.35 0.43 0.11 0.02 0.00 0.00 177.57 178.44 3fwp h LYS 6243N 0.50 0.82 -0.52 1.57 1.57 -0.92 -2.80 116.57 116.80 3fwp h LYS 6243Ca 0.10 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 3fwp h LYS 6243Cb 0.51 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 3fwp h LYS 6243CO 0.03 0.55 0.18 0.82 -0.57 0.00 0.00 179.45 180.45 3fwp h ILE 6244N 0.85 1.23 -0.52 1.86 2.04 -1.16 -1.20 117.51 120.61 3fwp h ILE 6244Ca 0.26 -0.74 -0.08 0.00 1.00 0.00 0.00 64.86 65.30 3fwp h ILE 6244Cb -0.04 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 3fwp h ILE 6244CO -0.08 0.28 0.02 1.62 0.00 0.00 0.00 178.15 179.98 3fwp h VAL 6245N 0.71 1.25 -0.08 1.67 3.04 -1.18 0.21 116.25 121.88 3fwp h VAL 6245Ca 0.17 -1.03 -0.01 0.00 -1.01 0.00 0.00 66.70 64.82 3fwp h VAL 6245Cb 0.25 0.83 -0.00 0.00 -2.01 0.00 0.00 31.29 30.36 3fwp h VAL 6245CO -0.01 0.37 -0.01 0.58 -1.01 0.00 0.00 177.57 177.49 3fwp h VAL 6246N 0.81 1.27 -0.88 1.51 2.07 -1.37 -0.76 116.25 118.90 3fwp h VAL 6246Ca 0.16 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 3fwp h VAL 6246Cb 0.46 1.70 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 3fwp h VAL 6246CO 0.02 0.24 0.48 -0.08 0.02 0.00 0.00 177.57 178.25 3fwp h GLU 6247N -0.17 1.22 -0.73 1.57 4.57 -1.06 -2.16 114.58 117.82 3fwp h GLU 6247Ca 0.02 -0.14 -0.06 0.00 -1.18 0.00 0.00 59.36 58.00 3fwp h GLU 6247Cb 0.38 -0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 28.70 3fwp h GLU 6247CO 0.01 0.89 0.23 0.00 -1.18 0.00 0.00 179.01 178.95 3fwp h ALA 6248N 1.30 1.03 -0.98 2.92 0.00 -0.52 -2.84 119.26 120.17 3fwp h ALA 6248Ca 0.31 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3fwp h ALA 6248Cb 0.02 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.47 3fwp h ALA 6248CO -0.05 0.66 0.64 0.00 0.00 0.00 0.00 179.25 180.50 3fwp h ALA 6249N 1.16 1.30 -0.94 0.00 0.00 -0.56 -1.82 119.26 118.40 3fwp h ALA 6249Ca 0.24 -0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.25 3fwp h ALA 6249Cb 0.30 -0.35 -0.08 0.00 0.00 0.00 0.00 17.79 17.66 3fwp h ALA 6249CO -0.01 0.54 0.60 0.00 0.00 0.00 0.00 179.25 180.37 3fwp h ARG 6250N 1.25 0.73 0.00 0.00 3.08 -1.16 -1.65 114.38 116.62 3fwp h ARG 6250Ca 0.39 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.39 3fwp h ARG 6250Cb -0.01 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.88 3fwp h ARG 6250CO -0.12 0.48 0.00 0.54 -1.07 0.00 0.00 179.97 179.80 3fwp n ARG 6251N -4.60 0.17 -0.11 0.04 1.74 -0.70 -3.52 116.66 109.68 3fwp n ARG 6251Ca 0.19 0.14 0.06 0.00 -0.77 0.00 0.00 57.85 57.47 3fwp n ARG 6251Cb 0.48 -1.70 0.12 0.00 -1.02 0.00 0.00 32.46 30.34 3fwp n ARG 6251CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3fwp n LEU 6252N -1.99 2.57 0.00 0.55 4.77 -0.64 -5.06 117.00 117.20 3fwp n LEU 6252Ca 0.06 -1.56 0.13 0.00 -0.03 0.00 0.00 56.01 54.61 3fwp n LEU 6252Cb 0.40 -0.14 0.79 0.00 -2.33 0.00 0.00 43.42 42.13 3fwp n LEU 6252CO 0.29 0.59 0.96 0.18 -1.33 0.00 0.00 177.39 178.08