#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a9x n PRO 6002N 0.00 1.89 -1.72 0.03 -0.04 -1.25 -3.41 135.00 130.50 1a9x n PRO 6002Ca 0.00 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.03 1a9x n PRO 6002Cb 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.44 1a9x n PRO 6002CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1a9x n LYS 6003N -0.14 2.50 -1.69 0.54 2.85 -1.26 -3.92 118.16 117.05 1a9x n LYS 6003Ca 0.00 0.89 -0.42 0.00 -1.05 0.00 0.00 58.31 57.73 1a9x n LYS 6003Cb 0.00 -2.65 0.00 0.00 -0.65 0.00 0.00 35.03 31.73 1a9x n LYS 6003CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1a9x n ARG 6004N 2.47 1.99 -0.04 -1.58 1.74 0.25 -4.95 116.66 116.55 1a9x n ARG 6004Ca 0.11 0.70 0.02 0.00 -0.77 0.00 0.00 57.85 57.91 1a9x n ARG 6004Cb 0.35 -2.32 -0.13 0.00 -1.02 0.00 0.00 32.46 29.34 1a9x n ARG 6004CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1a9x n THR 6005N 0.09 0.43 1.07 0.55 -2.24 -1.26 -4.41 114.28 108.51 1a9x n THR 6005Ca 0.06 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1a9x n THR 6005Cb 0.37 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 1a9x n THR 6005CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1a9x n ASP 6006N -2.28 0.31 -3.74 3.42 5.68 -1.26 -4.66 116.55 114.02 1a9x n ASP 6006Ca -0.12 -1.38 -0.15 0.00 -0.50 0.00 0.00 54.79 52.64 1a9x n ASP 6006Cb 0.67 -0.16 -0.16 0.00 -1.14 0.00 0.00 41.12 40.34 1a9x n ASP 6006CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1a9x s ILE 6007N -1.55 -0.08 0.00 2.12 1.01 -1.26 -4.99 121.20 116.45 1a9x s ILE 6007Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.89 1a9x s ILE 6007Cb 0.00 -0.17 0.00 0.00 0.01 0.00 0.00 42.46 42.30 1a9x s ILE 6007CO 0.00 0.10 0.00 0.29 0.00 0.00 0.00 174.94 175.33 1a9x n LYS 6008N 4.40 0.00 -4.52 2.79 4.01 -1.26 -4.98 118.16 118.59 1a9x n LYS 6008Ca -0.23 0.00 -0.34 0.00 -0.51 0.00 0.00 58.31 57.23 1a9x n LYS 6008Cb 0.51 -0.89 -0.11 0.00 -0.51 0.00 0.00 35.03 34.03 1a9x n LYS 6008CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1a9x s SER 6009N -4.17 4.79 -0.04 4.39 1.04 -1.26 0.62 113.70 119.08 1a9x s SER 6009Ca 0.00 -0.02 0.03 0.00 0.48 0.00 0.00 55.95 56.44 1a9x s SER 6009Cb 0.00 -1.39 0.01 0.00 0.10 0.00 0.00 66.02 64.74 1a9x s SER 6009CO 0.00 0.31 -0.11 -0.63 0.98 0.00 0.00 173.24 173.80 1a9x s ILE 6010N -0.52 0.95 -0.27 -1.02 1.01 0.15 -1.74 121.20 119.76 1a9x s ILE 6010Ca 0.08 -0.42 -0.11 0.00 0.00 0.00 0.00 60.65 60.20 1a9x s ILE 6010Cb -0.12 -0.85 -0.05 0.00 0.01 0.00 0.00 42.46 41.45 1a9x s ILE 6010CO 0.02 0.30 0.18 -0.22 0.00 0.00 0.00 174.94 175.22 1a9x s LEU 6011N 0.37 4.03 -0.24 2.97 2.96 0.04 -0.34 118.68 128.48 1a9x s LEU 6011Ca -0.07 0.02 -0.08 0.00 -0.22 0.00 0.00 54.13 53.78 1a9x s LEU 6011Cb -0.12 -2.11 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 1a9x s LEU 6011CO 0.02 -0.02 0.08 -0.63 -1.32 0.00 0.00 176.35 174.48 1a9x s ILE 6012N 1.58 4.57 -0.17 6.68 1.01 0.19 -0.37 121.20 134.71 1a9x s ILE 6012Ca 0.07 -0.09 -0.25 0.00 0.00 0.00 0.00 60.65 60.38 1a9x s ILE 6012Cb -0.15 -3.12 -0.02 0.00 0.01 0.00 0.00 42.46 39.18 1a9x s ILE 6012CO 0.09 0.36 0.83 -0.76 0.00 0.00 0.00 174.94 175.46 1a9x s LEU 6013N 1.30 4.18 0.77 2.97 1.43 -1.11 -1.95 118.68 126.27 1a9x s LEU 6013Ca 0.05 1.17 -0.12 0.00 -1.03 0.00 0.00 54.13 54.21 1a9x s LEU 6013Cb -0.15 -3.23 0.05 0.00 0.03 0.00 0.00 46.19 42.90 1a9x s LEU 6013CO 0.04 -0.39 1.14 -0.83 0.23 0.00 0.00 176.35 176.54 1a9x s GLY 6014N 1.15 1.61 0.12 -3.19 0.00 0.64 -3.59 107.32 104.05 1a9x s GLY 6014Ca 0.38 -0.48 0.24 0.00 0.00 0.00 0.00 44.72 44.86 1a9x s GLY 6014CO 0.13 -0.05 1.35 0.00 0.00 0.00 0.00 173.10 174.52 1a9x n ALA 6015N -3.20 2.92 0.00 3.20 0.00 -1.26 -4.20 120.51 117.97 1a9x n ALA 6015Ca 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1a9x n ALA 6015Cb 0.59 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.86 1a9x n ALA 6015CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a9x n GLY 6016N 1.34 -1.80 3.77 0.00 0.00 -1.26 -4.73 105.19 102.52 1a9x n GLY 6016Ca 0.03 -1.81 -0.37 0.00 0.00 0.00 0.00 46.02 43.88 1a9x n GLY 6016CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a9x s PRO 6017N 0.00 3.67 0.12 1.61 0.04 -1.26 -4.55 135.00 134.63 1a9x s PRO 6017Ca 0.00 1.73 -0.31 0.00 0.04 0.00 0.00 61.00 62.46 1a9x s PRO 6017Cb 0.00 -2.31 -0.09 0.00 0.04 0.00 0.00 34.50 32.14 1a9x s PRO 6017CO 0.00 -0.61 1.47 0.42 0.04 0.00 0.00 177.00 178.32 1a9x s ILE 6018N -1.60 3.07 0.19 0.56 -1.09 -1.26 -4.94 121.20 116.13 1a9x s ILE 6018Ca 0.66 0.74 0.04 0.00 -2.23 0.00 0.00 60.65 59.85 1a9x s ILE 6018Cb -0.27 -3.48 -0.05 0.00 -1.58 0.00 0.00 42.46 37.08 1a9x s ILE 6018CO 0.33 0.05 -0.04 0.68 -1.23 0.00 0.00 174.94 174.73 1a9x s VAL 6019N 1.29 1.03 0.14 2.92 -7.23 -1.02 -2.33 120.40 115.20 1a9x s VAL 6019Ca 0.67 -2.04 -0.31 0.00 -1.81 0.00 0.00 61.98 58.49 1a9x s VAL 6019Cb -0.39 -2.14 -0.10 0.00 0.56 0.00 0.00 36.38 34.30 1a9x s VAL 6019CO 0.30 -0.49 1.66 -0.63 -0.31 0.00 0.00 175.10 175.64 1a9x s ILE 6020N -3.42 2.59 0.00 -0.62 1.01 -1.26 -1.81 121.20 117.69 1a9x s ILE 6020Ca 0.24 0.30 0.00 0.00 0.00 0.00 0.00 60.65 61.19 1a9x s ILE 6020Cb 0.05 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 39.32 1a9x s ILE 6020CO 0.05 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.62 1a9x n GLY 6021N 3.94 1.83 2.54 6.18 0.00 -1.26 -4.92 105.19 113.51 1a9x n GLY 6021Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 1a9x n GLY 6021CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a9x s GLN 6022N -0.78 0.97 0.00 1.61 0.74 -0.75 -4.68 119.66 116.77 1a9x s GLN 6022Ca 0.00 -1.68 0.00 0.00 0.05 0.00 0.00 55.36 53.73 1a9x s GLN 6022Cb 0.00 -0.84 0.00 0.00 1.10 0.00 0.00 33.01 33.27 1a9x s GLN 6022CO 0.00 -1.36 0.00 0.00 -0.55 0.00 0.00 175.29 173.38 1a9x n ALA 6023N 2.88 0.00 0.31 1.58 0.00 -1.25 -2.44 120.51 121.60 1a9x n ALA 6023Ca 0.25 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.88 1a9x n ALA 6023Cb 0.51 0.00 1.01 0.00 0.00 0.00 0.00 19.45 20.97 1a9x n ALA 6023CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a9x h GLU 6025N 0.00 0.14 0.00 0.00 9.09 -1.87 0.21 114.58 122.15 1a9x h GLU 6025Ca -0.00 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.40 1a9x h GLU 6025Cb 0.12 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.19 1a9x h GLU 6025CO 0.00 0.09 0.00 0.74 0.05 0.00 0.00 179.01 179.89 1a9x h PHE 6026N 0.14 0.00 0.13 2.06 0.04 -1.79 -1.60 116.94 115.92 1a9x h PHE 6026Ca 0.49 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.99 1a9x h PHE 6026Cb 1.68 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.83 1a9x h PHE 6026CO -0.00 0.00 -1.30 0.22 -0.60 0.00 0.00 178.31 176.63 1a9x h ASP 6027N 0.00 0.43 -0.39 2.17 3.58 -1.20 -1.50 116.42 119.51 1a9x h ASP 6027Ca 0.00 -0.88 0.05 0.00 0.42 0.00 0.00 57.03 56.61 1a9x h ASP 6027Cb 0.81 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 41.67 1a9x h ASP 6027CO 0.00 1.58 0.13 0.22 -2.88 0.00 0.00 179.24 178.29 1a9x h TYR 6028N -0.28 0.24 -0.02 0.28 3.20 -1.27 0.28 116.97 119.39 1a9x h TYR 6028Ca -0.27 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.61 1a9x h TYR 6028Cb 1.77 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.99 1a9x h TYR 6028CO 0.14 0.09 -0.04 0.77 -1.64 0.00 0.00 178.16 177.48 1a9x h SER 6029N 0.29 0.08 -0.42 -2.11 0.02 -1.41 -2.48 113.55 107.53 1a9x h SER 6029Ca 0.18 -0.55 -0.04 0.00 -0.84 0.00 0.00 61.79 60.54 1a9x h SER 6029Cb 0.16 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 1a9x h SER 6029CO -0.19 0.62 0.14 1.23 -1.14 0.00 0.00 176.83 177.49 1a9x h GLY 6030N -0.45 0.76 0.91 -3.77 0.00 -1.18 -0.53 103.07 98.80 1a9x h GLY 6030Ca 0.00 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 1a9x h GLY 6030CO 0.01 0.38 0.10 0.00 0.00 0.00 0.00 176.54 177.03 1a9x h ALA 6031N 1.46 0.42 -0.81 3.60 0.00 -0.44 -1.30 119.26 122.20 1a9x h ALA 6031Ca 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1a9x h ALA 6031Cb 0.22 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1a9x h ALA 6031CO -0.01 0.06 0.48 1.96 0.00 0.00 0.00 179.25 181.74 1a9x h GLN 6032N 0.36 1.09 -0.34 0.00 4.20 -0.93 -0.13 115.11 119.37 1a9x h GLN 6032Ca 0.10 -0.10 -0.12 0.00 0.06 0.00 0.00 58.65 58.60 1a9x h GLN 6032Cb 0.26 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1a9x h GLN 6032CO -0.00 0.77 -0.26 0.00 -0.67 0.00 0.00 178.83 178.67 1a9x h ALA 6033N 1.42 0.91 0.23 3.87 0.00 -0.87 -0.76 119.26 124.05 1a9x h ALA 6033Ca 0.29 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1a9x h ALA 6033Cb -0.04 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1a9x h ALA 6033CO -0.05 0.62 -0.11 0.00 0.00 0.00 0.00 179.25 179.71 1a9x h LYS 6035N -0.71 -0.13 0.02 0.00 3.64 -1.01 0.33 116.57 118.71 1a9x h LYS 6035Ca -0.03 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1a9x h LYS 6035Cb 0.49 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 1a9x h LYS 6035CO 0.05 -0.09 -0.11 0.00 -2.27 0.00 0.00 179.45 177.03 1a9x h ALA 6036N 1.14 -0.14 -0.55 5.00 0.00 -1.15 -1.85 119.26 121.71 1a9x h ALA 6036Ca 0.22 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1a9x h ALA 6036Cb 0.49 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1a9x h ALA 6036CO -0.57 -0.61 0.13 -0.07 0.00 0.00 0.00 179.25 178.12 1a9x h LEU 6037N -0.20 0.80 -0.00 0.00 3.38 -0.72 -2.64 115.31 115.92 1a9x h LEU 6037Ca 0.03 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1a9x h LEU 6037Cb 0.24 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1a9x h LEU 6037CO -0.10 0.78 0.00 -0.09 0.09 0.00 0.00 178.44 179.13 1a9x h ARG 6038N 0.82 0.01 -0.90 1.13 2.43 -0.15 -1.78 114.38 115.93 1a9x h ARG 6038Ca 0.18 -0.00 0.23 0.00 -0.81 0.00 0.00 59.98 59.58 1a9x h ARG 6038Cb 0.31 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.80 1a9x h ARG 6038CO -0.00 0.31 0.62 1.49 -1.51 0.00 0.00 179.97 180.87 1a9x h GLU 6039N -0.29 0.21 -0.42 0.20 4.81 -1.20 0.38 114.58 118.26 1a9x h GLU 6039Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1a9x h GLU 6039Cb 0.30 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1a9x h GLU 6039CO 0.00 0.14 0.00 0.39 -0.73 0.00 0.00 179.01 178.81 1a9x n GLU 6040N -4.41 1.96 -1.32 1.92 -0.58 -1.01 -4.94 120.64 112.27 1a9x n GLU 6040Ca 0.19 -1.27 -0.11 0.00 -0.42 0.00 0.00 57.16 55.55 1a9x n GLU 6040Cb 0.83 -1.36 -0.05 0.00 -0.57 0.00 0.00 31.44 30.29 1a9x n GLU 6040CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a9x n GLY 6041N 0.92 1.19 3.87 0.62 0.00 0.13 -5.01 105.19 106.92 1a9x n GLY 6041Ca 0.12 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 1a9x n GLY 6041CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a9x s TYR 6042N -2.28 3.49 -0.30 1.61 1.51 -0.69 -4.99 117.35 115.68 1a9x s TYR 6042Ca 0.00 1.21 -0.19 0.00 -1.01 0.00 0.00 57.07 57.08 1a9x s TYR 6042Cb 0.00 -2.86 -0.01 0.00 -0.11 0.00 0.00 41.96 38.98 1a9x s TYR 6042CO 0.00 -0.91 0.55 0.50 -1.11 0.00 0.00 175.55 174.59 1a9x s ARG 6043N -5.24 3.88 -0.23 -0.62 3.52 0.20 -4.67 118.95 115.79 1a9x s ARG 6043Ca 0.56 0.17 -0.07 0.00 -0.13 0.00 0.00 55.73 56.26 1a9x s ARG 6043Cb -0.11 -3.72 -0.03 0.00 -1.56 0.00 0.00 34.95 29.52 1a9x s ARG 6043CO 0.53 -0.51 0.06 0.08 -0.81 0.00 0.00 175.30 174.65 1a9x s VAL 6044N 2.44 4.32 -0.15 7.11 1.01 -1.26 0.29 120.40 134.16 1a9x s VAL 6044Ca 0.22 -0.17 -0.03 0.00 0.00 0.00 0.00 61.98 61.99 1a9x s VAL 6044Cb -0.15 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 1a9x s VAL 6044CO 0.11 0.37 -0.05 -0.63 0.00 0.00 0.00 175.10 174.90 1a9x s ILE 6045N 1.36 3.81 0.03 2.22 1.01 0.53 -1.41 121.20 128.74 1a9x s ILE 6045Ca 0.05 -0.39 0.03 0.00 0.00 0.00 0.00 60.65 60.34 1a9x s ILE 6045Cb -0.15 -2.66 -0.02 0.00 0.01 0.00 0.00 42.46 39.65 1a9x s ILE 6045CO 0.03 0.50 -0.10 0.54 0.00 0.00 0.00 174.94 175.91 1a9x s ASN 6046N 0.29 1.17 -0.19 3.58 4.22 -0.28 0.58 114.94 124.30 1a9x s ASN 6046Ca -0.04 -0.37 -0.01 0.00 -2.14 0.00 0.00 52.86 50.30 1a9x s ASN 6046Cb -0.14 -0.06 0.01 0.00 1.28 0.00 0.00 41.25 42.33 1a9x s ASN 6046CO 0.03 -0.01 -0.15 0.54 -2.04 0.00 0.00 177.10 175.47 1a9x s VAL 6047N -0.76 2.50 -0.27 3.54 0.11 -0.82 0.44 120.40 125.14 1a9x s VAL 6047Ca -0.01 -0.79 -0.04 0.00 -2.93 0.00 0.00 61.98 58.21 1a9x s VAL 6047Cb -0.07 -2.08 0.15 0.00 -1.53 0.00 0.00 36.38 32.85 1a9x s VAL 6047CO 0.01 0.50 0.51 0.21 -3.33 0.00 0.00 175.10 172.99 1a9x s ASN 6048N 1.31 -0.64 0.00 3.54 3.84 -0.19 -0.26 114.94 122.53 1a9x s ASN 6048Ca 0.04 0.77 0.15 0.00 0.21 0.00 0.00 52.86 54.04 1a9x s ASN 6048Cb -0.14 1.71 0.71 0.00 -0.55 0.00 0.00 41.25 42.99 1a9x s ASN 6048CO -0.09 -0.26 1.45 -1.54 -2.79 0.00 0.00 177.10 173.87 1a9x n SER 6049N 5.40 0.00 -4.49 -4.21 3.41 -1.19 -4.02 113.62 108.52 1a9x n SER 6049Ca -0.04 0.27 -0.43 0.00 -0.26 0.00 0.00 58.87 58.41 1a9x n SER 6049Cb 0.50 -0.39 -0.08 0.00 -0.26 0.00 0.00 64.21 63.98 1a9x n SER 6049CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1a9x s ASN 6050N -2.77 6.23 0.35 4.04 2.47 -1.26 -0.61 114.94 123.38 1a9x s ASN 6050Ca 0.11 -0.58 0.27 0.00 0.42 0.00 0.00 52.86 53.08 1a9x s ASN 6050Cb 0.10 -2.25 1.14 0.00 -1.45 0.00 0.00 41.25 38.80 1a9x s ASN 6050CO 0.25 -0.63 1.79 1.55 -3.72 0.00 0.00 177.10 176.35 1a9x h PRO 6051N 8.76 0.00 -1.24 0.43 0.13 -1.83 -3.29 132.00 134.97 1a9x h PRO 6051Ca -0.26 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.46 1a9x h PRO 6051Cb 1.11 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.04 1a9x h PRO 6051CO 0.82 0.00 0.53 0.00 -0.23 0.00 0.00 178.00 179.12 1a9x n ALA 6052N -1.86 5.22 -2.65 -0.56 0.00 -1.26 -4.65 120.51 114.75 1a9x n ALA 6052Ca 0.01 -2.15 -0.33 0.00 0.00 0.00 0.00 53.44 50.97 1a9x n ALA 6052Cb 0.22 -1.44 -0.14 0.00 0.00 0.00 0.00 19.45 18.09 1a9x n ALA 6052CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1a9x s THR 6053N -2.84 2.94 0.26 0.00 -4.23 -1.24 -4.64 115.64 105.88 1a9x s THR 6053Ca 0.41 -0.75 -0.01 0.00 -1.18 0.00 0.00 61.69 60.16 1a9x s THR 6053Cb 0.33 -2.16 0.07 0.00 1.34 0.00 0.00 72.50 72.08 1a9x s THR 6053CO 0.02 0.57 1.71 0.40 -0.54 0.00 0.00 174.62 176.78 1a9x h ILE 6054N 4.68 1.26 0.00 2.99 1.08 -1.90 -2.33 117.51 123.30 1a9x h ILE 6054Ca -0.40 -1.19 -0.00 0.00 -0.39 0.00 0.00 64.86 62.88 1a9x h ILE 6054Cb 1.17 1.15 -0.00 0.00 -3.07 0.00 0.00 36.82 36.07 1a9x h ILE 6054CO 0.51 0.40 -0.00 0.00 -0.69 0.00 0.00 178.15 178.37 1a9x h MET 6055N 0.60 0.00 -0.33 2.37 -0.00 -1.92 -0.60 114.93 115.04 1a9x h MET 6055Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.80 1a9x h MET 6055Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.21 1a9x h MET 6055CO 0.04 0.00 0.00 0.25 -0.00 0.00 0.00 176.91 177.20 1a9x n THR 6056N -3.13 0.43 -2.00 -0.10 -2.24 -0.88 -4.83 114.28 101.53 1a9x n THR 6056Ca -0.03 -0.62 -0.41 0.00 -2.27 0.00 0.00 64.05 60.72 1a9x n THR 6056Cb 0.10 0.74 -0.02 0.00 -2.10 0.00 0.00 70.33 69.05 1a9x n THR 6056CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1a9x s ASP 6057N -1.48 6.64 0.30 3.42 1.01 -0.24 -4.89 116.67 121.44 1a9x s ASP 6057Ca 0.36 2.68 0.06 0.00 0.71 0.00 0.00 52.55 56.36 1a9x s ASP 6057Cb 0.21 -2.62 0.76 0.00 1.01 0.00 0.00 42.92 42.27 1a9x s ASP 6057CO 0.29 -0.72 1.74 1.55 0.21 0.00 0.00 175.17 178.24 1a9x h PRO 6058N 5.11 0.58 0.00 8.23 0.14 -1.91 -1.43 132.00 142.73 1a9x h PRO 6058Ca -0.46 -0.03 0.00 0.00 0.14 0.00 0.00 66.00 65.65 1a9x h PRO 6058Cb 1.22 -0.13 0.00 0.00 0.14 0.00 0.00 31.00 32.23 1a9x h PRO 6058CO 0.78 0.38 0.00 -0.85 0.14 0.00 0.00 178.00 178.46 1a9x n GLU 6059N -4.89 0.09 0.06 0.86 0.00 -1.26 -3.45 120.64 112.05 1a9x n GLU 6059Ca 0.23 0.17 0.13 0.00 0.00 0.00 0.00 57.16 57.70 1a9x n GLU 6059Cb 0.63 -1.63 0.44 0.00 0.00 0.00 0.00 31.44 30.89 1a9x n GLU 6059CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1a9x n MET 6060N -1.79 0.16 -3.94 3.44 2.81 -0.54 -4.93 117.12 112.33 1a9x n MET 6060Ca 0.05 0.11 -0.12 0.00 -1.81 0.00 0.00 57.70 55.93 1a9x n MET 6060Cb 0.31 -1.67 -0.00 0.00 -0.71 0.00 0.00 33.22 31.15 1a9x n MET 6060CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a9x s ALA 6061N -3.07 0.06 -0.21 3.04 0.00 -1.22 -4.61 121.76 115.74 1a9x s ALA 6061Ca 0.11 -1.18 -0.17 0.00 0.00 0.00 0.00 51.96 50.73 1a9x s ALA 6061Cb 0.15 0.89 -0.13 0.00 0.00 0.00 0.00 23.12 24.03 1a9x s ALA 6061CO 0.59 -0.89 -0.04 -0.25 0.00 0.00 0.00 175.76 175.17 1a9x n ASP 6062N -1.55 1.88 -3.93 0.00 8.00 -0.50 -4.78 116.55 115.66 1a9x n ASP 6062Ca -0.04 0.44 -0.30 0.00 0.71 0.00 0.00 54.79 55.60 1a9x n ASP 6062Cb 0.61 -0.90 -0.14 0.00 -0.02 0.00 0.00 41.12 40.66 1a9x n ASP 6062CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a9x s ALA 6063N -2.52 2.82 -0.33 2.24 0.00 -0.73 -4.83 121.76 118.41 1a9x s ALA 6063Ca -0.28 -2.72 -0.18 0.00 0.00 0.00 0.00 51.96 48.77 1a9x s ALA 6063Cb 0.07 -1.99 -0.01 0.00 0.00 0.00 0.00 23.12 21.19 1a9x s ALA 6063CO 0.48 -1.85 0.52 0.99 0.00 0.00 0.00 175.76 175.90 1a9x s THR 6064N 0.48 5.02 -0.33 0.00 2.01 -1.26 -1.12 115.64 120.43 1a9x s THR 6064Ca 0.14 0.49 -0.06 0.00 0.31 0.00 0.00 61.69 62.57 1a9x s THR 6064Cb -0.22 -3.94 0.04 0.00 0.01 0.00 0.00 72.50 68.39 1a9x s THR 6064CO -0.06 -0.15 0.09 -0.31 -0.69 0.00 0.00 174.62 173.50 1a9x s TYR 6065N 2.41 3.24 -1.02 4.92 1.51 0.17 -0.61 117.35 127.98 1a9x s TYR 6065Ca 0.20 -1.44 -0.17 0.00 -1.01 0.00 0.00 57.07 54.65 1a9x s TYR 6065Cb -0.15 -2.25 0.14 0.00 -0.11 0.00 0.00 41.96 39.59 1a9x s TYR 6065CO 0.12 -0.73 1.22 0.42 -1.11 0.00 0.00 175.55 175.48 1a9x s ILE 6066N 1.39 4.83 0.04 2.71 1.01 -1.26 -1.03 121.20 128.91 1a9x s ILE 6066Ca -0.02 -1.92 -0.03 0.00 0.00 0.00 0.00 60.65 58.68 1a9x s ILE 6066Cb -0.19 -4.82 -0.02 0.00 0.01 0.00 0.00 42.46 37.43 1a9x s ILE 6066CO 0.02 -1.54 0.02 -1.61 0.00 0.00 0.00 174.94 171.84 1a9x s GLU 6067N 2.31 0.56 0.22 2.79 0.41 -1.26 -4.57 118.70 119.16 1a9x s GLU 6067Ca 0.36 -0.94 -0.32 0.00 -0.41 0.00 0.00 54.97 53.65 1a9x s GLU 6067Cb -0.04 0.21 -0.13 0.00 -1.78 0.00 0.00 34.13 32.39 1a9x s GLU 6067CO -0.06 -0.12 1.58 -2.30 -0.49 0.00 0.00 175.26 173.87 1a9x n PRO 6068N 0.59 2.40 -0.83 0.39 -0.01 -1.26 -3.14 135.00 133.14 1a9x n PRO 6068Ca -0.18 0.86 -0.18 0.00 -0.01 0.00 0.00 63.50 63.99 1a9x n PRO 6068Cb 0.59 -2.63 -0.07 0.00 -0.01 0.00 0.00 33.50 31.38 1a9x n PRO 6068CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 175.50 174.60 1a9x n ILE 6069N 2.99 2.62 -4.27 4.25 5.41 -1.26 -4.62 119.36 124.48 1a9x n ILE 6069Ca 0.14 -1.46 -0.34 0.00 1.00 0.00 0.00 62.75 62.09 1a9x n ILE 6069Cb 0.32 -2.08 -0.09 0.00 -0.71 0.00 0.00 39.64 37.09 1a9x n ILE 6069CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 1a9x s HIS 6070N 2.29 3.19 0.29 1.39 2.46 -1.26 -4.99 115.29 118.65 1a9x s HIS 6070Ca 0.49 0.19 0.02 0.00 0.47 0.00 0.00 55.06 56.23 1a9x s HIS 6070Cb 0.18 -1.76 0.71 0.00 -0.13 0.00 0.00 32.58 31.58 1a9x s HIS 6070CO -0.02 0.50 1.66 0.11 -2.47 0.00 0.00 174.74 174.52 1a9x h TRP 6071N 4.72 0.46 -0.52 3.88 5.08 -1.92 0.23 115.95 127.88 1a9x h TRP 6071Ca -0.50 0.05 -0.09 0.00 1.08 0.00 0.00 58.89 59.43 1a9x h TRP 6071Cb 1.19 -0.06 -0.02 0.00 -3.00 0.00 0.00 29.16 27.27 1a9x h TRP 6071CO 0.64 -0.15 -0.03 0.93 -1.28 0.00 0.00 178.44 178.54 1a9x h GLU 6072N 0.27 0.90 -0.39 0.12 5.08 -1.95 0.43 114.58 119.04 1a9x h GLU 6072Ca 0.55 -0.27 -0.09 0.00 -1.00 0.00 0.00 59.36 58.55 1a9x h GLU 6072Cb 1.09 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 1a9x h GLU 6072CO -0.60 0.91 -0.11 0.28 -1.00 0.00 0.00 179.01 178.49 1a9x h VAL 6073N 0.82 1.28 -0.49 3.13 2.07 -0.93 -2.59 116.25 119.54 1a9x h VAL 6073Ca 0.15 -1.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.46 1a9x h VAL 6073Cb 0.53 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1a9x h VAL 6073CO 0.03 0.40 0.29 0.58 0.02 0.00 0.00 177.57 178.89 1a9x h VAL 6074N 0.56 1.15 -0.87 2.57 2.07 -0.39 -1.92 116.25 119.43 1a9x h VAL 6074Ca 0.10 -0.36 0.11 0.00 0.82 0.00 0.00 66.70 67.37 1a9x h VAL 6074Cb 0.64 0.51 -0.08 0.00 -1.52 0.00 0.00 31.29 30.84 1a9x h VAL 6074CO 0.04 0.16 0.50 -0.09 0.02 0.00 0.00 177.57 178.20 1a9x h ARG 6075N 0.65 0.77 -0.30 1.57 2.43 -0.10 -0.07 114.38 119.33 1a9x h ARG 6075Ca 0.17 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.33 1a9x h ARG 6075Cb 0.00 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.34 1a9x h ARG 6075CO -0.03 0.51 0.09 0.87 -1.51 0.00 0.00 179.97 179.90 1a9x h LYS 6076N 0.80 0.21 -0.65 0.20 1.79 -0.96 0.26 116.57 118.21 1a9x h LYS 6076Ca 0.43 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.87 1a9x h LYS 6076Cb 0.45 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.02 1a9x h LYS 6076CO -0.28 0.14 0.33 0.82 -1.08 0.00 0.00 179.45 179.39 1a9x h ILE 6077N 0.22 1.21 -0.06 1.86 2.04 -0.54 -1.69 117.51 120.55 1a9x h ILE 6077Ca 0.14 -0.55 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 1a9x h ILE 6077Cb 0.12 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1a9x h ILE 6077CO -0.15 0.24 -0.02 0.40 0.00 0.00 0.00 178.15 178.61 1a9x h ILE 6078N 0.92 1.32 -0.37 -0.67 2.04 -0.50 0.28 117.51 120.53 1a9x h ILE 6078Ca 0.23 -1.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 1a9x h ILE 6078Cb 0.07 1.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 1a9x h ILE 6078CO -0.03 0.27 0.20 1.05 0.00 0.00 0.00 178.15 179.64 1a9x h GLU 6079N -0.25 0.50 0.08 2.37 -0.00 -0.09 0.41 114.58 117.61 1a9x h GLU 6079Ca 0.01 -0.04 -0.18 0.00 -0.00 0.00 0.00 59.36 59.15 1a9x h GLU 6079Cb 0.45 -0.10 0.02 0.00 -0.00 0.00 0.00 28.75 29.11 1a9x h GLU 6079CO 0.01 0.37 -0.76 -0.22 -0.00 0.00 0.00 179.01 178.41 1a9x h LYS 6080N 0.51 0.37 0.00 1.06 3.64 -1.20 -3.37 116.57 117.58 1a9x h LYS 6080Ca 0.13 -0.51 -0.02 0.00 -1.27 0.00 0.00 60.65 58.99 1a9x h LYS 6080Cb 0.02 0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1a9x h LYS 6080CO -0.02 1.20 -0.84 0.93 -2.27 0.00 0.00 179.45 178.45 1a9x h GLU 6081N -0.22 0.00 -6.66 1.90 4.39 -0.22 -3.49 114.58 110.28 1a9x h GLU 6081Ca -0.12 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.05 1a9x h GLU 6081Cb 1.53 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.14 1a9x h GLU 6081CO 0.14 0.04 -0.95 0.54 -1.16 0.00 0.00 179.01 177.62 1a9x n ARG 6082N -2.79 -1.49 -2.18 2.33 5.12 0.14 -4.92 116.66 112.87 1a9x n ARG 6082Ca -0.00 0.27 -0.37 0.00 -1.93 0.00 0.00 57.85 55.82 1a9x n ARG 6082Cb 0.57 -3.69 0.00 0.00 -1.16 0.00 0.00 32.46 28.18 1a9x n ARG 6082CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1a9x s PRO 6083N -6.81 3.57 0.08 5.56 0.04 -1.26 -4.93 135.00 131.25 1a9x s PRO 6083Ca 0.26 1.81 -0.12 0.00 0.04 0.00 0.00 61.00 62.98 1a9x s PRO 6083Cb -0.12 -2.30 -0.21 0.00 0.04 0.00 0.00 34.50 31.91 1a9x s PRO 6083CO 0.93 -0.72 1.21 -0.44 0.04 0.00 0.00 177.00 178.02 1a9x h ASP 6084N 1.78 0.86 -4.96 6.66 3.32 -1.63 -3.42 116.42 119.03 1a9x h ASP 6084Ca -0.50 -0.69 -0.23 0.00 0.02 0.00 0.00 57.03 55.64 1a9x h ASP 6084Cb 1.26 -0.26 -0.15 0.00 0.22 0.00 0.00 39.33 40.40 1a9x h ASP 6084CO 0.59 1.49 -0.66 0.00 -1.72 0.00 0.00 179.24 178.94 1a9x s ALA 6085N -3.31 1.06 -0.03 3.45 0.00 -1.11 0.14 121.76 121.95 1a9x s ALA 6085Ca -0.09 -1.50 0.01 0.00 0.00 0.00 0.00 51.96 50.38 1a9x s ALA 6085Cb 0.07 0.64 0.02 0.00 0.00 0.00 0.00 23.12 23.85 1a9x s ALA 6085CO 0.91 -0.39 -0.03 0.54 0.00 0.00 0.00 175.76 176.79 1a9x s VAL 6086N -3.84 0.41 -0.44 0.00 0.11 0.32 -0.78 120.40 116.18 1a9x s VAL 6086Ca 0.22 -0.08 -0.10 0.00 -2.93 0.00 0.00 61.98 59.09 1a9x s VAL 6086Cb 0.07 -0.44 0.09 0.00 -1.53 0.00 0.00 36.38 34.57 1a9x s VAL 6086CO 0.01 0.18 0.30 -0.22 -3.33 0.00 0.00 175.10 172.05 1a9x s LEU 6087N 0.76 5.35 -0.14 2.54 2.96 0.51 -0.97 118.68 129.68 1a9x s LEU 6087Ca -0.09 -1.55 0.16 0.00 -0.22 0.00 0.00 54.13 52.43 1a9x s LEU 6087Cb -0.12 -2.03 0.68 0.00 0.50 0.00 0.00 46.19 45.22 1a9x s LEU 6087CO -0.00 -0.59 1.60 -0.81 -1.32 0.00 0.00 176.35 175.22 1a9x n PRO 6088N 4.97 3.81 -0.28 0.98 -0.04 -1.26 -2.76 135.00 140.43 1a9x n PRO 6088Ca -0.10 -2.88 0.11 0.00 -0.04 0.00 0.00 63.50 60.59 1a9x n PRO 6088Cb 0.43 -1.92 0.26 0.00 -0.04 0.00 0.00 33.50 32.22 1a9x n PRO 6088CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1a9x n THR 6089N 0.69 0.82 -0.29 0.52 -2.24 -1.26 -3.70 114.28 108.82 1a9x n THR 6089Ca 0.24 -0.91 0.04 0.00 -2.27 0.00 0.00 64.05 61.15 1a9x n THR 6089Cb 0.93 0.67 0.09 0.00 -2.10 0.00 0.00 70.33 69.92 1a9x n THR 6089CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1a9x n MET 6090N 1.42 2.72 -2.46 -0.78 2.81 -1.26 -1.75 117.12 117.83 1a9x n MET 6090Ca 0.21 -1.94 -0.17 0.00 -1.81 0.00 0.00 57.70 53.99 1a9x n MET 6090Cb 0.58 -1.23 0.02 0.00 -0.71 0.00 0.00 33.22 31.89 1a9x n MET 6090CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1a9x n GLY 6091N -0.32 4.34 7.00 3.03 0.00 -1.24 -4.06 105.19 113.94 1a9x n GLY 6091Ca 0.08 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 44.00 1a9x n GLY 6091CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 6092N -0.47 0.94 0.18 -0.02 0.00 -1.26 -1.15 105.19 103.40 1a9x n GLY 6092Ca 0.28 -0.67 -0.06 0.00 0.00 0.00 0.00 46.02 45.57 1a9x n GLY 6092CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1a9x h GLN 6093N 0.00 0.31 -0.07 1.61 5.75 -1.95 -2.91 115.11 117.84 1a9x h GLN 6093Ca 0.00 -0.20 0.03 0.00 -0.15 0.00 0.00 58.65 58.33 1a9x h GLN 6093Cb 0.00 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.55 1a9x h GLN 6093CO 0.00 0.79 -0.08 1.15 -2.65 0.00 0.00 178.83 178.03 1a9x h THR 6094N 0.24 0.76 -0.71 2.39 2.02 -1.83 0.89 112.91 116.67 1a9x h THR 6094Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 1a9x h THR 6094Cb 1.06 0.76 -0.05 0.00 -1.74 0.00 0.00 68.15 68.18 1a9x h THR 6094CO 0.09 0.00 0.43 0.00 0.37 0.00 0.00 175.52 176.41 1a9x h ALA 6095N 0.94 0.94 -0.53 6.16 0.00 -1.15 0.11 119.26 125.73 1a9x h ALA 6095Ca 0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1a9x h ALA 6095Cb 0.20 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1a9x h ALA 6095CO -0.14 0.18 0.20 -0.07 0.00 0.00 0.00 179.25 179.41 1a9x h LEU 6096N 0.83 0.74 -0.35 0.00 3.38 -1.20 -1.14 115.31 117.57 1a9x h LEU 6096Ca 0.30 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1a9x h LEU 6096Cb 0.08 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1a9x h LEU 6096CO -0.13 0.72 0.02 0.78 0.09 0.00 0.00 178.44 179.91 1a9x h ASN 6097N 0.72 0.59 0.10 -0.43 2.35 -0.43 -2.00 115.58 116.48 1a9x h ASN 6097Ca 0.17 -0.29 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1a9x h ASN 6097Cb 0.22 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1a9x h ASN 6097CO -0.01 0.74 -0.10 0.00 -1.65 0.00 0.00 177.43 176.41 1a9x h ALA 6099N 0.67 0.44 0.00 0.00 0.00 -1.17 0.98 119.26 120.18 1a9x h ALA 6099Ca 0.01 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1a9x h ALA 6099Cb 0.22 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1a9x h ALA 6099CO -0.03 -0.42 -0.08 -0.07 0.00 0.00 0.00 179.25 178.64 1a9x h LEU 6100N 0.03 0.00 -0.03 0.00 4.07 -1.00 -0.85 115.31 117.53 1a9x h LEU 6100Ca 0.29 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 58.07 1a9x h LEU 6100Cb 0.45 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.20 1a9x h LEU 6100CO -0.58 0.08 -0.68 -0.08 -1.08 0.00 0.00 178.44 176.11 1a9x h GLU 6101N 0.00 0.52 -0.63 1.13 4.57 0.52 -1.58 114.58 119.11 1a9x h GLU 6101Ca -0.00 -0.51 0.02 0.00 -1.18 0.00 0.00 59.36 57.68 1a9x h GLU 6101Cb 0.69 0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 29.38 1a9x h GLU 6101CO 0.01 1.15 0.40 -0.07 -1.18 0.00 0.00 179.01 179.32 1a9x h LEU 6102N 0.09 0.67 -0.47 1.64 3.38 -0.68 0.20 115.31 120.14 1a9x h LEU 6102Ca -0.07 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1a9x h LEU 6102Cb 1.36 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 1a9x h LEU 6102CO 0.14 0.48 0.16 -0.08 0.09 0.00 0.00 178.44 179.22 1a9x h GLU 6103N 0.80 0.73 -0.24 1.13 4.57 -1.13 -1.39 114.58 119.06 1a9x h GLU 6103Ca 0.24 -0.15 -0.08 0.00 -1.18 0.00 0.00 59.36 58.20 1a9x h GLU 6103Cb -0.03 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.44 1a9x h GLU 6103CO -0.08 0.68 -0.19 -0.09 -1.18 0.00 0.00 179.01 178.16 1a9x h ARG 6104N 0.63 0.41 0.00 1.92 2.43 -0.35 -1.54 114.38 117.88 1a9x h ARG 6104Ca 0.15 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1a9x h ARG 6104Cb 0.25 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1a9x h ARG 6104CO -0.01 0.59 0.00 1.04 -1.51 0.00 0.00 179.97 180.08 1a9x n GLN 6105N -4.18 0.43 -0.98 0.20 1.13 0.62 -4.90 117.38 109.71 1a9x n GLN 6105Ca -0.00 0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 1a9x n GLN 6105Cb 0.35 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.20 1a9x n GLN 6105CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1a9x n GLY 6106N 0.97 0.70 0.26 1.08 0.00 -0.58 -4.92 105.19 102.70 1a9x n GLY 6106Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.15 1a9x n GLY 6106CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1a9x h VAL 6107N 0.00 1.21 -0.33 1.61 2.07 -1.47 -2.06 116.25 117.27 1a9x h VAL 6107Ca 0.00 -0.89 -0.16 0.00 0.82 0.00 0.00 66.70 66.47 1a9x h VAL 6107Cb 0.04 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1a9x h VAL 6107CO 0.00 0.29 -0.42 -0.07 0.02 0.00 0.00 177.57 177.39 1a9x h LEU 6108N 0.41 0.90 0.71 2.57 3.38 -1.85 -2.64 115.31 118.80 1a9x h LEU 6108Ca 0.08 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 1a9x h LEU 6108Cb 0.42 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.92 1a9x h LEU 6108CO 0.02 1.20 -0.34 -0.08 0.09 0.00 0.00 178.44 179.33 1a9x h GLU 6109N 0.68 -0.91 -1.14 1.13 4.81 -1.80 0.33 114.58 117.67 1a9x h GLU 6109Ca 0.05 0.06 0.40 0.00 -0.13 0.00 0.00 59.36 59.74 1a9x h GLU 6109Cb 1.00 0.21 -0.15 0.00 0.63 0.00 0.00 28.75 30.44 1a9x h GLU 6109CO 0.10 -0.60 0.68 1.49 -0.73 0.00 0.00 179.01 179.96 1a9x h GLU 6110N -1.22 0.13 -0.46 1.92 4.81 -1.40 0.45 114.58 118.81 1a9x h GLU 6110Ca -0.10 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1a9x h GLU 6110Cb 0.74 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1a9x h GLU 6110CO 0.16 0.08 0.00 1.19 -0.73 0.00 0.00 179.01 179.71 1a9x n PHE 6111N -4.95 0.70 -3.65 0.92 3.01 -1.00 -4.98 117.46 107.50 1a9x n PHE 6111Ca 0.36 -0.53 -0.22 0.00 1.01 0.00 0.00 57.45 58.06 1a9x n PHE 6111Cb 1.26 -0.05 0.06 0.00 -0.01 0.00 0.00 39.48 40.73 1a9x n PHE 6111CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1a9x n GLY 6112N 0.78 -0.40 3.64 1.37 0.00 0.16 -4.92 105.19 105.82 1a9x n GLY 6112Ca 0.16 0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.96 1a9x n GLY 6112CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a9x s VAL 6113N -3.45 5.24 -0.03 1.61 1.01 0.11 -4.75 120.40 120.14 1a9x s VAL 6113Ca 0.25 0.50 -0.20 0.00 0.00 0.00 0.00 61.98 62.53 1a9x s VAL 6113Cb -0.12 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 1a9x s VAL 6113CO 0.78 0.25 0.57 -0.89 0.00 0.00 0.00 175.10 175.80 1a9x s THR 6114N 1.51 4.98 -0.25 3.92 2.01 0.37 -4.71 115.64 123.45 1a9x s THR 6114Ca 0.14 1.17 -0.24 0.00 0.31 0.00 0.00 61.69 63.07 1a9x s THR 6114Cb -0.15 -3.90 -0.00 0.00 0.01 0.00 0.00 72.50 68.46 1a9x s THR 6114CO 0.08 0.40 0.83 -0.32 -0.69 0.00 0.00 174.62 174.92 1a9x s MET 6115N -0.05 4.15 0.31 4.92 1.75 -1.26 0.12 119.30 129.23 1a9x s MET 6115Ca 0.30 0.89 0.10 0.00 -1.25 0.00 0.00 55.69 55.73 1a9x s MET 6115Cb -0.17 -3.66 -0.05 0.00 2.84 0.00 0.00 34.83 33.78 1a9x s MET 6115CO 0.16 -0.55 -0.08 0.96 -0.65 0.00 0.00 175.02 174.85 1a9x s ILE 6116N 2.88 2.64 0.00 10.11 -4.36 -0.15 -4.69 121.20 127.64 1a9x s ILE 6116Ca 0.35 -2.15 0.00 0.00 -0.26 0.00 0.00 60.65 58.59 1a9x s ILE 6116Cb -0.15 -2.62 0.00 0.00 1.25 0.00 0.00 42.46 40.94 1a9x s ILE 6116CO 0.08 -0.29 0.00 0.61 0.24 0.00 0.00 174.94 175.58 1a9x n GLY 6117N -0.81 2.38 3.52 6.27 0.00 -1.26 -4.19 105.19 111.09 1a9x n GLY 6117Ca -0.05 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 1a9x n GLY 6117CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9x s ALA 6118N 0.00 -1.53 0.48 4.61 0.00 -1.26 -4.02 121.76 120.04 1a9x s ALA 6118Ca 0.00 1.75 -0.19 0.00 0.00 0.00 0.00 51.96 53.53 1a9x s ALA 6118Cb 0.00 -1.02 -0.09 0.00 0.00 0.00 0.00 23.12 22.01 1a9x s ALA 6118CO 0.00 -0.29 0.98 0.95 0.00 0.00 0.00 175.76 177.40 1a9x s THR 6119N 0.39 4.34 0.31 0.00 -4.23 -1.26 -4.88 115.64 110.31 1a9x s THR 6119Ca -0.00 1.29 0.06 0.00 -1.18 0.00 0.00 61.69 61.85 1a9x s THR 6119Cb -0.04 -3.62 0.30 0.00 1.34 0.00 0.00 72.50 70.48 1a9x s THR 6119CO -0.00 -0.48 1.79 0.00 -0.54 0.00 0.00 174.62 175.39 1a9x h ALA 6120N 1.34 1.68 -0.35 3.99 0.00 -1.98 -0.55 119.26 123.39 1a9x h ALA 6120Ca -0.48 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 1a9x h ALA 6120Cb 1.19 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1a9x h ALA 6120CO 0.61 -0.03 -0.08 0.22 0.00 0.00 0.00 179.25 179.97 1a9x h ASP 6121N 0.79 0.67 -0.12 0.00 3.58 -1.97 0.60 116.42 119.96 1a9x h ASP 6121Ca 0.56 -0.36 0.03 0.00 0.42 0.00 0.00 57.03 57.67 1a9x h ASP 6121Cb 0.84 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.68 1a9x h ASP 6121CO -0.35 0.87 -0.05 0.00 -2.88 0.00 0.00 179.24 176.84 1a9x h ALA 6122N 0.82 0.06 -0.52 -0.78 0.00 -1.44 0.42 119.26 117.82 1a9x h ALA 6122Ca 0.09 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.14 1a9x h ALA 6122Cb 0.58 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.41 1a9x h ALA 6122CO 0.03 -0.50 0.08 0.82 0.00 0.00 0.00 179.25 179.69 1a9x h ILE 6123N -0.03 0.68 -0.84 0.00 2.04 -1.04 -1.56 117.51 116.77 1a9x h ILE 6123Ca 0.06 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 1a9x h ILE 6123Cb 0.12 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 1a9x h ILE 6123CO -0.14 0.04 0.39 -0.78 0.00 0.00 0.00 178.15 177.65 1a9x h ASP 6124N 0.21 1.11 0.43 1.72 3.58 -0.24 -0.75 116.42 122.48 1a9x h ASP 6124Ca 0.26 -0.14 -0.07 0.00 0.42 0.00 0.00 57.03 57.50 1a9x h ASP 6124Cb 0.37 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 1a9x h ASP 6124CO -0.36 0.94 -0.31 0.50 -2.88 0.00 0.00 179.24 177.13 1a9x h LYS 6125N 1.20 0.00 0.06 0.28 3.64 0.83 -0.58 116.57 122.00 1a9x h LYS 6125Ca 0.29 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.34 1a9x h LYS 6125Cb 0.14 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 1a9x h LYS 6125CO -0.03 0.31 -1.84 0.00 -2.27 0.00 0.00 179.45 175.63 1a9x n ALA 6126N -2.41 1.20 0.14 5.00 0.00 -0.96 -1.09 120.51 122.39 1a9x n ALA 6126Ca -0.02 -0.67 0.03 0.00 0.00 0.00 0.00 53.44 52.79 1a9x n ALA 6126Cb 0.38 -0.78 0.03 0.00 0.00 0.00 0.00 19.45 19.08 1a9x n ALA 6126CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1a9x h GLU 6127N 0.04 0.00 -4.78 0.00 4.39 -1.06 -3.42 114.58 109.74 1a9x h GLU 6127Ca -0.35 0.00 -0.70 0.00 0.34 0.00 0.00 59.36 58.66 1a9x h GLU 6127Cb 2.02 0.00 -0.19 0.00 -0.10 0.00 0.00 28.75 30.48 1a9x h GLU 6127CO 0.09 0.43 0.05 0.34 -1.16 0.00 0.00 179.01 178.76 1a9x s ASP 6128N -6.37 6.20 0.33 1.42 -1.08 -0.23 -0.94 116.67 115.99 1a9x s ASP 6128Ca 0.04 -1.19 0.12 0.00 -0.52 0.00 0.00 52.55 50.99 1a9x s ASP 6128Cb 0.07 -2.29 0.99 0.00 -1.46 0.00 0.00 42.92 40.23 1a9x s ASP 6128CO 0.74 -0.98 1.68 0.03 0.52 0.00 0.00 175.17 177.16 1a9x h ARG 6129N 9.07 0.36 -0.32 4.34 2.47 -1.87 0.75 114.38 129.18 1a9x h ARG 6129Ca -0.28 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.40 1a9x h ARG 6129Cb 1.09 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 29.32 1a9x h ARG 6129CO 1.02 0.24 0.13 -0.09 0.56 0.00 0.00 179.97 181.84 1a9x h ARG 6130N 0.38 0.47 0.07 0.04 2.43 -1.93 -1.67 114.38 114.17 1a9x h ARG 6130Ca 0.69 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.77 1a9x h ARG 6130Cb 1.49 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.96 1a9x h ARG 6130CO -0.58 0.47 -0.03 0.00 -1.51 0.00 0.00 179.97 178.32 1a9x h ARG 6131N 0.37 -0.09 -0.98 0.20 3.08 -1.27 -2.21 114.38 113.49 1a9x h ARG 6131Ca 0.11 0.01 0.17 0.00 0.07 0.00 0.00 59.98 60.33 1a9x h ARG 6131Cb 0.17 0.02 -0.10 0.00 0.08 0.00 0.00 29.97 30.14 1a9x h ARG 6131CO -0.01 0.15 0.59 0.35 -1.07 0.00 0.00 179.97 179.97 1a9x h PHE 6132N -0.32 1.04 -0.16 3.04 3.57 0.70 -0.60 116.94 124.20 1a9x h PHE 6132Ca -0.01 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.43 1a9x h PHE 6132Cb 0.27 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 1a9x h PHE 6132CO 0.00 0.27 -0.32 0.22 -2.23 0.00 0.00 178.31 176.26 1a9x h ASP 6133N 0.79 0.33 -0.38 0.41 3.58 -1.08 -2.27 116.42 117.80 1a9x h ASP 6133Ca 0.54 -0.12 -0.12 0.00 0.42 0.00 0.00 57.03 57.76 1a9x h ASP 6133Cb 0.77 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.72 1a9x h ASP 6133CO -0.35 0.64 -0.21 0.58 -2.88 0.00 0.00 179.24 177.01 1a9x h VAL 6134N 0.28 1.28 -0.90 2.25 2.07 -0.51 -2.93 116.25 117.80 1a9x h VAL 6134Ca 0.04 -1.35 -0.00 0.00 0.82 0.00 0.00 66.70 66.20 1a9x h VAL 6134Cb 0.70 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.77 1a9x h VAL 6134CO 0.05 0.45 0.55 0.00 0.02 0.00 0.00 177.57 178.64 1a9x h ALA 6135N 0.79 1.14 -0.63 1.67 0.00 -1.13 -0.97 119.26 120.14 1a9x h ALA 6135Ca 0.08 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1a9x h ALA 6135Cb 0.77 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1a9x h ALA 6135CO 0.06 0.60 0.12 0.52 0.00 0.00 0.00 179.25 180.55 1a9x h MET 6136N 1.23 1.04 -0.21 0.00 2.07 -1.36 -1.50 114.93 116.19 1a9x h MET 6136Ca 0.32 -0.27 -0.01 0.00 -2.07 0.00 0.00 59.70 57.68 1a9x h MET 6136Cb -0.06 -0.13 -0.01 0.00 -1.87 0.00 0.00 31.60 29.53 1a9x h MET 6136CO -0.06 0.95 0.11 -0.22 1.07 0.00 0.00 176.91 178.76 1a9x h LYS 6137N 0.95 0.30 -0.88 1.72 3.64 -1.27 0.18 116.57 121.21 1a9x h LYS 6137Ca 0.19 -0.04 0.14 0.00 -1.27 0.00 0.00 60.65 59.67 1a9x h LYS 6137Cb 0.41 -0.06 -0.09 0.00 -0.41 0.00 0.00 32.23 32.08 1a9x h LYS 6137CO 0.01 0.31 0.49 -0.22 -2.27 0.00 0.00 179.45 177.76 1a9x h LYS 6138N 0.22 0.70 -0.60 1.90 3.64 -0.66 -0.87 116.57 120.91 1a9x h LYS 6138Ca 0.07 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1a9x h LYS 6138Cb 0.10 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1a9x h LYS 6138CO -0.01 0.46 0.00 0.44 -2.27 0.00 0.00 179.45 178.07 1a9x n ILE 6139N -4.80 1.20 -2.45 2.00 -5.35 -0.61 -4.94 119.36 104.41 1a9x n ILE 6139Ca 0.17 -0.79 -0.16 0.00 -0.27 0.00 0.00 62.75 61.70 1a9x n ILE 6139Cb 0.41 0.03 0.00 0.00 -1.74 0.00 0.00 39.64 38.35 1a9x n ILE 6139CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1a9x n GLY 6140N 0.91 -0.27 3.71 3.28 0.00 -0.33 -5.03 105.19 107.46 1a9x n GLY 6140Ca 0.18 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1a9x n GLY 6140CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a9x s LEU 6141N -4.71 3.66 0.06 0.99 1.43 0.54 -5.02 118.68 115.64 1a9x s LEU 6141Ca 0.06 0.15 -0.25 0.00 -1.03 0.00 0.00 54.13 53.06 1a9x s LEU 6141Cb -0.03 -1.91 -0.06 0.00 0.03 0.00 0.00 46.19 44.23 1a9x s LEU 6141CO 0.08 0.36 0.78 -0.70 0.23 0.00 0.00 176.35 177.10 1a9x s GLU 6142N -1.07 4.52 0.29 1.70 2.12 -1.26 -4.04 118.70 120.95 1a9x s GLU 6142Ca 0.15 1.10 0.10 0.00 0.36 0.00 0.00 54.97 56.68 1a9x s GLU 6142Cb -0.11 -3.36 -0.06 0.00 0.26 0.00 0.00 34.13 30.87 1a9x s GLU 6142CO 0.05 0.30 -0.14 0.95 -0.54 0.00 0.00 175.26 175.88 1a9x s THR 6143N -0.15 2.18 0.46 -1.70 -4.23 -1.26 0.19 115.64 111.13 1a9x s THR 6143Ca 0.39 -2.28 -0.22 0.00 -1.18 0.00 0.00 61.69 58.40 1a9x s THR 6143Cb -0.21 -2.39 -0.08 0.00 1.34 0.00 0.00 72.50 71.16 1a9x s THR 6143CO 0.24 -0.35 1.10 0.00 -0.54 0.00 0.00 174.62 175.06 1a9x s ALA 6144N -2.68 2.93 0.29 3.99 0.00 -1.26 -4.94 121.76 120.10 1a9x s ALA 6144Ca 0.30 0.78 -0.29 0.00 0.00 0.00 0.00 51.96 52.74 1a9x s ALA 6144Cb -0.01 -3.32 -0.13 0.00 0.00 0.00 0.00 23.12 19.66 1a9x s ALA 6144CO 0.14 -0.48 1.30 -2.13 0.00 0.00 0.00 175.76 174.59 1a9x n ARG 6145N -0.62 1.96 -3.22 0.00 0.63 -1.26 -4.84 116.66 109.31 1a9x n ARG 6145Ca 0.08 0.69 -0.04 0.00 -0.92 0.00 0.00 57.85 57.66 1a9x n ARG 6145Cb 0.50 -2.27 0.02 0.00 0.45 0.00 0.00 32.46 31.16 1a9x n ARG 6145CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1a9x n SER 6146N 1.41 -1.47 -3.78 6.15 3.41 -1.26 -1.74 113.62 116.34 1a9x n SER 6146Ca 0.08 -1.87 -0.13 0.00 -0.26 0.00 0.00 58.87 56.69 1a9x n SER 6146Cb 0.33 2.41 -0.10 0.00 -0.26 0.00 0.00 64.21 66.59 1a9x n SER 6146CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1a9x s GLY 6147N -2.89 -0.18 0.18 5.00 0.00 -0.20 -4.99 107.32 104.24 1a9x s GLY 6147Ca 0.16 0.60 -0.11 0.00 0.00 0.00 0.00 44.72 45.37 1a9x s GLY 6147CO 0.06 0.46 0.52 -0.42 0.00 0.00 0.00 173.10 173.72 1a9x s ILE 6148N -0.38 4.95 -0.05 0.90 -1.09 -1.26 -0.84 121.20 123.42 1a9x s ILE 6148Ca -0.05 0.54 -0.04 0.00 -2.23 0.00 0.00 60.65 58.87 1a9x s ILE 6148Cb -0.03 -3.66 0.02 0.00 -1.58 0.00 0.00 42.46 37.21 1a9x s ILE 6148CO 0.02 0.08 0.13 0.00 -1.23 0.00 0.00 174.94 173.93 1a9x s ALA 6149N -1.64 -0.28 -0.24 9.38 0.00 0.54 -4.83 121.76 124.69 1a9x s ALA 6149Ca 0.42 0.50 0.10 0.00 0.00 0.00 0.00 51.96 52.98 1a9x s ALA 6149Cb -0.13 -0.32 -0.14 0.00 0.00 0.00 0.00 23.12 22.54 1a9x s ALA 6149CO 0.20 -0.10 0.33 0.72 0.00 0.00 0.00 175.76 176.91 1a9x n HIS 6150N 3.57 0.00 -4.20 0.00 8.25 -1.26 -1.32 115.22 120.27 1a9x n HIS 6150Ca -0.19 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.15 1a9x n HIS 6150Cb 0.56 -0.12 -0.10 0.00 1.12 0.00 0.00 29.99 31.44 1a9x n HIS 6150CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1a9x s THR 6151N -2.35 0.78 0.21 1.59 -4.23 -1.26 -4.88 115.64 105.50 1a9x s THR 6151Ca -0.00 -1.97 -0.09 0.00 -1.18 0.00 0.00 61.69 58.45 1a9x s THR 6151Cb 0.07 -1.81 0.16 0.00 1.34 0.00 0.00 72.50 72.26 1a9x s THR 6151CO 0.43 -0.76 1.85 -0.03 -0.54 0.00 0.00 174.62 175.56 1a9x h MET 6152N 2.87 0.84 -0.56 3.99 4.05 -1.96 0.88 114.93 125.04 1a9x h MET 6152Ca -0.36 -0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 58.98 1a9x h MET 6152Cb 1.18 -0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 31.76 1a9x h MET 6152CO 0.64 0.56 0.24 1.49 0.23 0.00 0.00 176.91 180.07 1a9x h GLU 6153N 0.87 0.83 -0.74 0.39 4.81 -1.99 0.21 114.58 118.97 1a9x h GLU 6153Ca 0.30 -0.14 -0.05 0.00 -0.13 0.00 0.00 59.36 59.33 1a9x h GLU 6153Cb 0.05 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 1a9x h GLU 6153CO -0.12 0.71 0.25 0.93 -0.73 0.00 0.00 179.01 180.04 1a9x h GLU 6154N 0.77 1.12 -0.15 1.92 5.08 -1.75 -2.04 114.58 119.53 1a9x h GLU 6154Ca 0.19 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1a9x h GLU 6154Cb 0.17 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1a9x h GLU 6154CO -0.02 0.94 0.10 0.00 -1.00 0.00 0.00 179.01 179.03 1a9x h ALA 6155N 1.18 0.20 -0.53 3.43 0.00 0.16 -2.84 119.26 120.86 1a9x h ALA 6155Ca 0.24 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.18 1a9x h ALA 6155Cb 0.27 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1a9x h ALA 6155CO -0.01 -0.30 0.35 -0.07 0.00 0.00 0.00 179.25 179.22 1a9x h LEU 6156N 0.18 0.44 -0.42 0.00 3.38 -0.25 -1.24 115.31 117.40 1a9x h LEU 6156Ca 0.06 -0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.87 1a9x h LEU 6156Cb 0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1a9x h LEU 6156CO -0.01 0.29 -0.36 0.00 0.09 0.00 0.00 178.44 178.45 1a9x h ALA 6157N 1.71 0.60 0.01 1.53 0.00 -1.15 -1.23 119.26 120.73 1a9x h ALA 6157Ca 0.23 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1a9x h ALA 6157Cb 0.25 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1a9x h ALA 6157CO -0.06 0.68 -0.02 0.28 0.00 0.00 0.00 179.25 180.13 1a9x h VAL 6158N 0.77 0.95 -0.98 0.00 2.07 -1.11 0.36 116.25 118.31 1a9x h VAL 6158Ca 0.07 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.70 1a9x h VAL 6158Cb 0.95 0.95 -0.08 0.00 -1.52 0.00 0.00 31.29 31.60 1a9x h VAL 6158CO 0.09 0.00 0.62 0.00 0.02 0.00 0.00 177.57 178.30 1a9x h ALA 6159N 0.95 1.56 0.00 1.67 0.00 -1.18 0.92 119.26 123.18 1a9x h ALA 6159Ca 0.01 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1a9x h ALA 6159Cb 0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1a9x h ALA 6159CO -0.01 0.21 -0.47 0.00 0.00 0.00 0.00 179.25 178.97 1a9x h ALA 6160N 1.54 1.17 0.41 0.00 0.00 -0.58 0.55 119.26 122.35 1a9x h ALA 6160Ca 0.48 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1a9x h ALA 6160Cb 0.48 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1a9x h ALA 6160CO -0.24 0.59 -0.20 0.22 0.00 0.00 0.00 179.25 179.62 1a9x h ASP 6161N 0.00 -0.47 1.16 0.00 3.58 0.49 -3.37 116.42 117.81 1a9x h ASP 6161Ca -0.00 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.34 1a9x h ASP 6161Cb 0.86 0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.03 1a9x h ASP 6161CO 0.06 -0.04 -0.74 -0.37 -2.88 0.00 0.00 179.24 175.27 1a9x h VAL 6162N -1.01 0.00 -1.03 2.25 -1.51 -0.71 -3.51 116.25 110.73 1a9x h VAL 6162Ca -0.06 -0.89 0.12 0.00 -1.23 0.00 0.00 66.70 64.64 1a9x h VAL 6162Cb 0.54 1.51 -0.03 0.00 -2.13 0.00 0.00 31.29 31.17 1a9x h VAL 6162CO 0.09 0.00 -0.19 0.61 -1.23 0.00 0.00 177.57 176.85 1a9x n GLY 6163N 1.20 -1.61 3.89 5.19 0.00 0.19 -4.73 105.19 109.32 1a9x n GLY 6163Ca 0.01 -1.41 -0.35 0.00 0.00 0.00 0.00 46.02 44.28 1a9x n GLY 6163CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a9x s PHE 6164N -1.59 3.57 0.93 1.61 0.08 -1.26 -3.58 117.98 117.74 1a9x s PHE 6164Ca 0.00 0.42 -0.15 0.00 0.12 0.00 0.00 56.93 57.32 1a9x s PHE 6164Cb 0.00 -1.87 0.18 0.00 -0.57 0.00 0.00 43.02 40.76 1a9x s PHE 6164CO 0.00 0.68 1.29 -1.25 -0.10 0.00 0.00 175.22 175.84 1a9x s PRO 6165N -1.59 0.88 0.00 0.24 0.04 -1.25 -5.04 135.00 128.29 1a9x s PRO 6165Ca 0.23 -0.29 -0.14 0.00 0.04 0.00 0.00 61.00 60.83 1a9x s PRO 6165Cb -0.12 -1.86 0.02 0.00 0.04 0.00 0.00 34.50 32.57 1a9x s PRO 6165CO 0.13 -2.27 0.30 0.00 0.04 0.00 0.00 177.00 175.21 1a9x s ILE 6167N -1.69 5.27 -0.17 0.00 1.09 0.70 -1.90 121.20 124.49 1a9x s ILE 6167Ca -0.11 0.55 -0.01 0.00 -1.10 0.00 0.00 60.65 59.97 1a9x s ILE 6167Cb -0.04 -3.59 -0.00 0.00 -1.06 0.00 0.00 42.46 37.77 1a9x s ILE 6167CO 0.02 0.52 -0.12 -0.63 -0.10 0.00 0.00 174.94 174.64 1a9x s ILE 6168N -0.51 2.91 -0.20 2.92 1.01 -0.57 -0.47 121.20 126.29 1a9x s ILE 6168Ca 0.18 -0.68 -0.00 0.00 0.00 0.00 0.00 60.65 60.16 1a9x s ILE 6168Cb -0.14 -2.26 0.05 0.00 0.01 0.00 0.00 42.46 40.12 1a9x s ILE 6168CO 0.07 0.49 -0.05 -0.13 0.00 0.00 0.00 174.94 175.33 1a9x s ARG 6169N 0.98 1.45 0.52 2.79 0.52 0.20 -2.71 118.95 122.70 1a9x s ARG 6169Ca -0.02 -0.69 -0.20 0.00 -0.52 0.00 0.00 55.73 54.31 1a9x s ARG 6169Cb -0.15 -2.25 -0.07 0.00 0.52 0.00 0.00 34.95 33.00 1a9x s ARG 6169CO -0.02 -0.51 1.09 -2.14 0.02 0.00 0.00 175.30 173.74 1a9x s PRO 6170N 1.56 3.56 0.35 3.54 0.02 -1.26 -1.39 135.00 141.37 1a9x s PRO 6170Ca -0.02 1.50 -0.27 0.00 0.02 0.00 0.00 61.00 62.23 1a9x s PRO 6170Cb -0.17 -2.05 -0.09 0.00 0.02 0.00 0.00 34.50 32.22 1a9x s PRO 6170CO -0.07 -0.66 1.08 -1.12 -0.33 0.00 0.00 177.00 175.90 1a9x s SER 6171N -1.87 6.97 -1.12 2.53 0.01 -0.60 -3.95 113.70 115.66 1a9x s SER 6171Ca 0.70 2.16 -0.07 0.00 1.31 0.00 0.00 55.95 60.06 1a9x s SER 6171Cb -0.20 -2.61 0.01 0.00 0.21 0.00 0.00 66.02 63.43 1a9x s SER 6171CO 0.24 -0.35 0.98 0.49 0.41 0.00 0.00 173.24 175.01 1a9x n PHE 6172N 0.50 -2.36 -3.81 2.43 3.72 -0.12 -3.92 117.46 113.91 1a9x n PHE 6172Ca 0.02 0.85 -0.10 0.00 -0.05 0.00 0.00 57.45 58.16 1a9x n PHE 6172Cb 0.47 -4.40 -0.08 0.00 -0.94 0.00 0.00 39.48 34.54 1a9x n PHE 6172CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1a9x s THR 6173N -3.27 0.11 0.32 4.37 -4.23 -1.25 -4.24 115.64 107.44 1a9x s THR 6173Ca 0.44 -0.88 0.02 0.00 -1.18 0.00 0.00 61.69 60.09 1a9x s THR 6173Cb -0.20 -1.04 -0.02 0.00 1.34 0.00 0.00 72.50 72.58 1a9x s THR 6173CO 0.61 -0.49 0.35 0.00 -0.54 0.00 0.00 174.62 174.55 1a9x s MET 6174N -2.96 1.76 -1.04 3.99 0.23 -1.26 -4.86 119.30 115.16 1a9x s MET 6174Ca -0.02 -1.84 0.00 0.00 -1.03 0.00 0.00 55.69 52.80 1a9x s MET 6174Cb 0.01 0.37 0.00 0.00 -1.53 0.00 0.00 34.83 33.68 1a9x s MET 6174CO -0.06 -0.68 0.00 0.41 -2.03 0.00 0.00 175.02 172.66 1a9x n GLY 6175N -0.55 1.06 2.45 3.16 0.00 -1.26 -2.20 105.19 107.84 1a9x n GLY 6175Ca 0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 46.02 45.84 1a9x n GLY 6175CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 6176N -0.83 0.33 3.69 -0.02 0.00 -1.26 -1.15 105.19 105.95 1a9x n GLY 6176Ca -0.10 -0.04 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 1a9x n GLY 6176CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a9x n SER 6177N -0.40 3.01 0.00 1.61 7.64 -0.94 -1.75 113.62 122.79 1a9x n SER 6177Ca -0.01 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.01 1a9x n SER 6177Cb 0.24 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 61.98 1a9x n SER 6177CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a9x n GLY 6178N 2.23 0.45 1.44 0.23 0.00 -1.26 -4.69 105.19 103.59 1a9x n GLY 6178Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 1a9x n GLY 6178CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 6179N -1.77 3.30 0.00 -0.02 0.00 -0.72 -2.99 105.19 102.99 1a9x n GLY 6179Ca 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.78 1a9x n GLY 6179CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 6180N 2.53 -1.19 3.48 -0.02 0.00 -1.10 -4.52 105.19 104.36 1a9x n GLY 6180Ca -0.03 -1.56 -0.34 0.00 0.00 0.00 0.00 46.02 44.09 1a9x n GLY 6180CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a9x s ILE 6181N -1.80 3.84 -0.38 -0.61 1.01 -1.26 -1.51 121.20 120.49 1a9x s ILE 6181Ca 0.00 -0.37 -0.16 0.00 0.00 0.00 0.00 60.65 60.12 1a9x s ILE 6181Cb 0.00 -2.69 0.00 0.00 0.01 0.00 0.00 42.46 39.78 1a9x s ILE 6181CO 0.00 0.48 0.39 0.00 0.00 0.00 0.00 174.94 175.81 1a9x s ALA 6182N 0.50 3.47 -0.32 9.38 0.00 -0.80 -4.90 121.76 129.09 1a9x s ALA 6182Ca -0.03 -1.36 0.23 0.00 0.00 0.00 0.00 51.96 50.80 1a9x s ALA 6182Cb -0.14 -2.92 0.11 0.00 0.00 0.00 0.00 23.12 20.17 1a9x s ALA 6182CO 0.03 -1.30 1.19 1.88 0.00 0.00 0.00 175.76 177.56 1a9x h TYR 6183N 8.58 0.00 -3.34 0.00 0.05 -1.95 -2.84 116.97 117.46 1a9x h TYR 6183Ca -0.28 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.45 1a9x h TYR 6183Cb 1.13 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.82 1a9x h TYR 6183CO 0.65 0.00 0.10 0.54 -1.05 0.00 0.00 178.16 178.40 1a9x s ASN 6184N -5.43 0.08 0.23 3.88 2.20 -1.26 -4.66 114.94 109.98 1a9x s ASN 6184Ca 0.02 -1.03 -0.08 0.00 -0.94 0.00 0.00 52.86 50.84 1a9x s ASN 6184Cb 0.09 0.73 0.23 0.00 -2.00 0.00 0.00 41.25 40.30 1a9x s ASN 6184CO 0.76 -1.42 1.90 -0.09 -2.94 0.00 0.00 177.10 175.31 1a9x h ARG 6185N 2.07 1.16 0.13 3.55 2.43 -1.98 -1.30 114.38 120.44 1a9x h ARG 6185Ca -0.27 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 58.85 1a9x h ARG 6185Cb 1.25 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 30.50 1a9x h ARG 6185CO 0.35 0.77 -0.27 1.49 -1.51 0.00 0.00 179.97 180.79 1a9x h GLU 6186N 1.20 -0.47 -0.32 0.20 4.81 -2.00 -0.05 114.58 117.95 1a9x h GLU 6186Ca 0.34 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.64 1a9x h GLU 6186Cb -0.11 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 1a9x h GLU 6186CO -0.08 -0.32 0.07 0.93 -0.73 0.00 0.00 179.01 178.88 1a9x h GLU 6187N -0.49 0.18 -0.16 1.92 5.08 -1.94 -2.82 114.58 116.35 1a9x h GLU 6187Ca 0.03 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 1a9x h GLU 6187Cb 0.52 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.66 1a9x h GLU 6187CO -0.15 0.12 -0.34 0.35 -1.00 0.00 0.00 179.01 177.99 1a9x h PHE 6188N 0.19 -0.94 -0.99 4.33 3.57 -0.93 -1.72 116.94 120.44 1a9x h PHE 6188Ca 0.15 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.76 1a9x h PHE 6188Cb 0.16 0.44 -0.07 0.00 2.79 0.00 0.00 35.95 39.27 1a9x h PHE 6188CO -0.17 -0.41 0.64 0.93 -2.23 0.00 0.00 178.31 177.07 1a9x h GLU 6189N -0.39 1.12 -0.39 1.11 5.08 -0.76 0.29 114.58 120.63 1a9x h GLU 6189Ca 0.10 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 1a9x h GLU 6189Cb 0.56 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1a9x h GLU 6189CO -0.38 0.74 -0.09 1.49 -1.00 0.00 0.00 179.01 179.77 1a9x h GLU 6190N 1.15 0.75 -0.17 2.33 4.81 -1.29 -2.31 114.58 119.85 1a9x h GLU 6190Ca 0.43 -0.28 -0.10 0.00 -0.13 0.00 0.00 59.36 59.27 1a9x h GLU 6190Cb 0.18 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 1a9x h GLU 6190CO -0.18 0.88 -0.29 0.82 -0.73 0.00 0.00 179.01 179.51 1a9x h ILE 6191N 0.56 1.35 -0.36 2.32 2.04 -1.04 0.41 117.51 122.78 1a9x h ILE 6191Ca 0.10 -1.52 -0.01 0.00 1.00 0.00 0.00 64.86 64.42 1a9x h ILE 6191Cb 0.60 1.90 -0.02 0.00 -0.74 0.00 0.00 36.82 38.57 1a9x h ILE 6191CO 0.04 0.46 0.18 0.00 0.00 0.00 0.00 178.15 178.83 1a9x h ALA 6193N 1.04 -0.14 -0.13 0.00 0.00 -1.41 1.21 119.26 119.82 1a9x h ALA 6193Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1a9x h ALA 6193Cb 0.10 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1a9x h ALA 6193CO -0.02 -0.61 0.01 -0.09 0.00 0.00 0.00 179.25 178.54 1a9x h ARG 6194N -0.20 0.05 -0.80 0.00 2.43 -0.73 -2.75 114.38 112.39 1a9x h ARG 6194Ca 0.03 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1a9x h ARG 6194Cb 0.24 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.74 1a9x h ARG 6194CO -0.10 0.03 0.46 0.78 -1.51 0.00 0.00 179.97 179.64 1a9x h GLY 6195N 0.05 1.18 1.02 2.80 0.00 0.21 -2.36 103.07 105.97 1a9x h GLY 6195Ca 0.06 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 46.87 1a9x h GLY 6195CO -0.09 0.49 0.59 1.41 0.00 0.00 0.00 176.54 178.94 1a9x h LEU 6196N 1.10 1.13 -0.35 3.11 3.38 0.16 -1.22 115.31 122.62 1a9x h LEU 6196Ca 0.28 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.12 1a9x h LEU 6196Cb -0.00 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1a9x h LEU 6196CO -0.05 0.85 -0.35 -0.78 0.09 0.00 0.00 178.44 178.21 1a9x h ASP 6197N 1.31 0.00 0.45 -0.43 3.58 -1.31 -3.29 116.42 116.73 1a9x h ASP 6197Ca 0.35 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.50 1a9x h ASP 6197Cb -0.09 0.00 0.02 0.00 1.72 0.00 0.00 39.33 40.98 1a9x h ASP 6197CO -0.07 0.35 -1.29 0.25 -2.88 0.00 0.00 179.24 175.60 1a9x h LEU 6198N 0.00 0.61 -9.33 2.28 5.85 -0.88 -3.46 115.31 110.39 1a9x h LEU 6198Ca -0.00 -0.63 -0.62 0.00 0.84 0.00 0.00 57.88 57.47 1a9x h LEU 6198Cb 1.13 -0.20 0.03 0.00 0.37 0.00 0.00 40.66 41.99 1a9x h LEU 6198CO 0.05 1.48 0.99 -0.24 -0.34 0.00 0.00 178.44 180.38 1a9x n SER 6199N -3.63 3.25 0.32 1.25 2.88 -0.51 -4.83 113.62 112.35 1a9x n SER 6199Ca -0.11 1.01 0.20 0.00 -1.33 0.00 0.00 58.87 58.63 1a9x n SER 6199Cb 1.03 -1.37 1.04 0.00 -0.75 0.00 0.00 64.21 64.16 1a9x n SER 6199CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1a9x h PRO 6200N 8.13 0.00 -0.15 -1.46 0.11 -1.74 -1.97 132.00 134.92 1a9x h PRO 6200Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1a9x h PRO 6200Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1a9x h PRO 6200CO 0.93 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.97 1a9x n THR 6201N -3.18 1.49 -4.05 -1.15 -2.24 -1.26 -4.99 114.28 98.89 1a9x n THR 6201Ca -0.02 -1.48 -0.27 0.00 -2.27 0.00 0.00 64.05 60.01 1a9x n THR 6201Cb 0.19 0.17 -0.04 0.00 -2.10 0.00 0.00 70.33 68.55 1a9x n THR 6201CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1a9x n LYS 6202N -0.43 -2.83 -3.98 -0.78 4.81 -0.74 -4.95 118.16 109.25 1a9x n LYS 6202Ca 0.12 0.34 -0.09 0.00 -0.87 0.00 0.00 58.31 57.81 1a9x n LYS 6202Cb 0.53 -4.40 -0.11 0.00 0.02 0.00 0.00 35.03 31.07 1a9x n LYS 6202CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1a9x s GLU 6203N -6.74 0.31 -0.01 1.64 2.12 -1.26 -4.58 118.70 110.17 1a9x s GLU 6203Ca 0.07 -0.60 -0.05 0.00 0.36 0.00 0.00 54.97 54.75 1a9x s GLU 6203Cb -0.04 0.11 -0.00 0.00 0.26 0.00 0.00 34.13 34.46 1a9x s GLU 6203CO 0.91 -0.05 0.09 -0.51 -0.54 0.00 0.00 175.26 175.16 1a9x s LEU 6204N -1.44 1.72 -0.17 2.70 1.43 -0.43 -1.56 118.68 120.93 1a9x s LEU 6204Ca -0.16 -0.14 -0.01 0.00 -1.03 0.00 0.00 54.13 52.79 1a9x s LEU 6204Cb -0.10 0.45 -0.01 0.00 0.03 0.00 0.00 46.19 46.56 1a9x s LEU 6204CO -0.01 -0.25 -0.10 -0.22 0.23 0.00 0.00 176.35 176.00 1a9x s LEU 6205N -0.95 2.74 -0.14 1.79 2.96 -0.49 0.20 118.68 124.80 1a9x s LEU 6205Ca -0.10 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.44 1a9x s LEU 6205Cb -0.06 -1.65 -0.00 0.00 0.50 0.00 0.00 46.19 44.97 1a9x s LEU 6205CO 0.01 0.08 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.33 1a9x s ILE 6206N 0.84 2.65 0.13 6.68 1.09 -0.02 0.60 121.20 133.16 1a9x s ILE 6206Ca -0.03 -0.79 0.07 0.00 -1.10 0.00 0.00 60.65 58.79 1a9x s ILE 6206Cb -0.15 -2.10 -0.04 0.00 -1.06 0.00 0.00 42.46 39.12 1a9x s ILE 6206CO 0.01 0.53 -0.16 -1.81 -0.10 0.00 0.00 174.94 173.40 1a9x s ASP 6207N 0.60 2.20 0.51 3.58 1.11 0.38 -1.03 116.67 124.02 1a9x s ASP 6207Ca -0.09 -0.79 -0.22 0.00 0.18 0.00 0.00 52.55 51.62 1a9x s ASP 6207Cb -0.16 -0.10 -0.06 0.00 1.07 0.00 0.00 42.92 43.68 1a9x s ASP 6207CO 0.03 -0.09 1.31 -1.83 1.18 0.00 0.00 175.17 175.77 1a9x s GLU 6208N -2.55 3.36 0.28 8.23 -1.05 -0.71 -0.21 118.70 126.05 1a9x s GLU 6208Ca 0.09 2.12 -0.29 0.00 -0.15 0.00 0.00 54.97 56.75 1a9x s GLU 6208Cb -0.06 -2.33 -0.10 0.00 -0.44 0.00 0.00 34.13 31.20 1a9x s GLU 6208CO 0.04 -0.98 1.24 0.45 0.95 0.00 0.00 175.26 176.96 1a9x s SER 6209N -1.03 6.95 -0.08 0.83 0.15 -1.25 -4.68 113.70 114.60 1a9x s SER 6209Ca 0.68 2.49 0.13 0.00 0.70 0.00 0.00 55.95 59.95 1a9x s SER 6209Cb -0.37 -2.63 0.24 0.00 -1.71 0.00 0.00 66.02 61.55 1a9x s SER 6209CO 0.45 -0.42 1.12 0.18 1.20 0.00 0.00 173.24 175.77 1a9x n LEU 6210N 1.40 1.38 -4.61 3.45 4.77 -1.26 -5.07 117.00 117.05 1a9x n LEU 6210Ca 0.01 -2.34 -0.49 0.00 -0.03 0.00 0.00 56.01 53.17 1a9x n LEU 6210Cb 0.43 -0.22 -0.04 0.00 -2.33 0.00 0.00 43.42 41.25 1a9x n LEU 6210CO 0.57 0.64 0.92 -0.38 -1.33 0.00 0.00 177.39 177.81 1a9x n ILE 6211N -0.54 0.44 -0.06 -0.08 5.41 -1.26 -1.23 119.36 122.04 1a9x n ILE 6211Ca 0.09 -0.11 0.00 0.00 1.00 0.00 0.00 62.75 63.73 1a9x n ILE 6211Cb 0.76 -1.07 0.00 0.00 -0.71 0.00 0.00 39.64 38.62 1a9x n ILE 6211CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1a9x n GLY 6212N 2.47 1.09 3.84 7.39 0.00 -0.53 -4.93 105.19 114.50 1a9x n GLY 6212Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1a9x n GLY 6212CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1a9x s TRP 6213N -2.45 3.09 0.49 1.61 0.52 -0.36 -4.70 118.94 117.14 1a9x s TRP 6213Ca 0.00 1.16 -0.21 0.00 0.02 0.00 0.00 56.10 57.07 1a9x s TRP 6213Cb 0.00 -3.04 -0.07 0.00 -1.15 0.00 0.00 33.47 29.21 1a9x s TRP 6213CO 0.00 -1.43 1.13 0.15 0.02 0.00 0.00 176.95 176.82 1a9x s LYS 6214N -5.21 3.62 -0.11 4.98 1.02 0.45 -1.47 119.74 123.03 1a9x s LYS 6214Ca 0.59 1.65 0.03 0.00 0.02 0.00 0.00 55.97 58.26 1a9x s LYS 6214Cb -0.13 -2.21 0.00 0.00 -0.52 0.00 0.00 37.83 34.97 1a9x s LYS 6214CO 0.53 -0.64 -0.23 -2.00 -0.92 0.00 0.00 175.35 172.10 1a9x s GLU 6215N -2.99 2.96 0.23 1.68 2.12 -1.26 -1.28 118.70 120.16 1a9x s GLU 6215Ca 0.67 -0.84 0.06 0.00 0.36 0.00 0.00 54.97 55.22 1a9x s GLU 6215Cb -0.25 -2.29 -0.05 0.00 0.26 0.00 0.00 34.13 31.80 1a9x s GLU 6215CO 0.29 0.11 -0.09 0.71 -0.54 0.00 0.00 175.26 175.74 1a9x s TYR 6216N 0.51 1.73 -0.03 5.30 1.51 0.80 -0.96 117.35 126.22 1a9x s TYR 6216Ca -0.15 -0.69 -0.03 0.00 -1.01 0.00 0.00 57.07 55.19 1a9x s TYR 6216Cb -0.17 -0.91 0.01 0.00 -0.11 0.00 0.00 41.96 40.78 1a9x s TYR 6216CO 0.05 0.24 0.09 -1.21 -1.11 0.00 0.00 175.55 173.62 1a9x s GLU 6217N -3.72 0.12 -0.08 -0.62 2.02 -0.16 -0.65 118.70 115.60 1a9x s GLU 6217Ca 0.25 0.11 0.03 0.00 0.02 0.00 0.00 54.97 55.38 1a9x s GLU 6217Cb 0.02 0.06 0.01 0.00 0.10 0.00 0.00 34.13 34.31 1a9x s GLU 6217CO 0.08 -0.01 -0.17 -1.64 0.02 0.00 0.00 175.26 173.54 1a9x s MET 6218N -0.00 2.30 -0.42 1.61 -1.94 -0.33 0.59 119.30 121.10 1a9x s MET 6218Ca -0.01 -0.62 -0.19 0.00 -1.71 0.00 0.00 55.69 53.17 1a9x s MET 6218Cb -0.01 -1.81 0.02 0.00 2.01 0.00 0.00 34.83 35.04 1a9x s MET 6218CO 0.00 0.08 0.56 -1.21 -0.01 0.00 0.00 175.02 174.44 1a9x s GLU 6219N 0.56 3.29 0.07 2.03 0.41 0.59 -1.71 118.70 123.94 1a9x s GLU 6219Ca -0.16 -0.44 0.03 0.00 -0.41 0.00 0.00 54.97 54.00 1a9x s GLU 6219Cb -0.17 -3.93 -0.04 0.00 -1.78 0.00 0.00 34.13 28.22 1a9x s GLU 6219CO 0.05 -0.90 0.04 0.08 -0.49 0.00 0.00 175.26 174.04 1a9x s VAL 6220N 2.55 4.30 -0.04 2.63 1.01 -0.03 0.13 120.40 130.95 1a9x s VAL 6220Ca 0.19 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.36 1a9x s VAL 6220Cb -0.15 -3.04 0.02 0.00 0.00 0.00 0.00 36.38 33.21 1a9x s VAL 6220CO 0.16 0.16 -0.03 -0.69 0.00 0.00 0.00 175.10 174.70 1a9x s VAL 6221N -1.32 0.44 0.01 2.92 1.01 -0.48 -1.10 120.40 121.88 1a9x s VAL 6221Ca 0.27 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.23 1a9x s VAL 6221Cb -0.12 -0.49 -0.01 0.00 0.00 0.00 0.00 36.38 35.75 1a9x s VAL 6221CO 0.19 0.21 -0.12 -0.60 0.00 0.00 0.00 175.10 174.78 1a9x s ARG 6222N 1.02 0.87 0.50 2.72 3.52 -0.62 -0.72 118.95 126.24 1a9x s ARG 6222Ca -0.10 -0.54 0.06 0.00 -0.13 0.00 0.00 55.73 55.02 1a9x s ARG 6222Cb -0.14 -0.85 0.01 0.00 -1.56 0.00 0.00 34.95 32.42 1a9x s ARG 6222CO -0.01 0.22 0.34 0.16 -0.81 0.00 0.00 175.30 175.21 1a9x s ASP 6223N -0.64 4.63 0.60 -2.12 1.47 0.16 -1.97 116.67 118.79 1a9x s ASP 6223Ca 0.02 -1.17 0.36 0.00 1.18 0.00 0.00 52.55 52.94 1a9x s ASP 6223Cb -0.06 0.14 1.89 0.00 -0.34 0.00 0.00 42.92 44.55 1a9x s ASP 6223CO 0.00 -0.94 2.21 0.07 0.68 0.00 0.00 175.17 177.19 1a9x h LYS 6224N 0.93 0.00 -0.05 2.11 2.10 -1.77 -0.08 116.57 119.81 1a9x h LYS 6224Ca -0.39 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.26 1a9x h LYS 6224Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 1a9x h LYS 6224CO 0.60 0.03 0.00 0.09 -2.00 0.00 0.00 179.45 178.18 1a9x n ASN 6225N -3.36 0.86 0.00 7.07 3.02 -1.26 -4.86 115.26 116.73 1a9x n ASN 6225Ca -0.02 -1.43 0.00 0.00 -0.03 0.00 0.00 54.58 53.10 1a9x n ASN 6225Cb 0.16 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 1a9x n ASN 6225CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1a9x n ASP 6226N -0.27 -2.82 -4.77 6.41 2.03 -0.04 -5.01 116.55 112.08 1a9x n ASP 6226Ca 0.18 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 55.12 1a9x n ASP 6226Cb 0.22 -0.47 -0.01 0.00 -0.72 0.00 0.00 41.12 40.14 1a9x n ASP 6226CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1a9x s ASN 6227N -2.03 6.23 -0.16 1.67 0.01 -1.25 -4.78 114.94 114.64 1a9x s ASN 6227Ca 0.00 2.33 -0.10 0.00 -0.71 0.00 0.00 52.86 54.37 1a9x s ASN 6227Cb 0.00 -2.61 0.05 0.00 0.41 0.00 0.00 41.25 39.10 1a9x s ASN 6227CO 0.00 -0.88 0.39 0.00 -1.51 0.00 0.00 177.10 175.11 1a9x s ILE 6229N 0.98 0.32 -0.32 0.00 -4.36 0.10 -4.98 121.20 112.93 1a9x s ILE 6229Ca -0.06 -1.91 -0.10 0.00 -0.26 0.00 0.00 60.65 58.31 1a9x s ILE 6229Cb -0.07 -1.94 -0.01 0.00 1.25 0.00 0.00 42.46 41.70 1a9x s ILE 6229CO -0.08 -0.60 0.18 -0.63 0.24 0.00 0.00 174.94 174.05 1a9x s ILE 6230N -3.89 4.75 0.09 8.37 -1.09 -1.26 -1.38 121.20 126.78 1a9x s ILE 6230Ca 0.20 -0.41 -0.13 0.00 -2.23 0.00 0.00 60.65 58.07 1a9x s ILE 6230Cb 0.07 -3.45 -0.21 0.00 -1.58 0.00 0.00 42.46 37.30 1a9x s ILE 6230CO -0.00 0.02 1.23 0.58 -1.23 0.00 0.00 174.94 175.54 1a9x h VAL 6231N 5.64 1.28 -2.54 2.92 2.07 -0.65 -3.39 116.25 121.58 1a9x h VAL 6231Ca -0.31 -2.17 -0.07 0.00 0.82 0.00 0.00 66.70 64.97 1a9x h VAL 6231Cb 1.14 2.26 -0.18 0.00 -1.52 0.00 0.00 31.29 32.99 1a9x h VAL 6231CO 0.62 0.68 0.03 0.00 0.02 0.00 0.00 177.57 178.92 1a9x s SER 6233N -1.55 3.26 -0.05 0.00 1.04 -1.26 -0.30 113.70 114.83 1a9x s SER 6233Ca -0.09 -0.44 0.03 0.00 0.48 0.00 0.00 55.95 55.93 1a9x s SER 6233Cb -0.01 -0.72 0.00 0.00 0.10 0.00 0.00 66.02 65.39 1a9x s SER 6233CO 0.04 0.28 -0.14 -0.63 0.98 0.00 0.00 173.24 173.77 1a9x s ILE 6234N -0.37 1.23 -0.17 -1.02 1.01 0.20 -3.32 121.20 118.76 1a9x s ILE 6234Ca 0.03 -0.57 -0.03 0.00 0.00 0.00 0.00 60.65 60.08 1a9x s ILE 6234Cb -0.12 -1.08 -0.02 0.00 0.01 0.00 0.00 42.46 41.25 1a9x s ILE 6234CO 0.02 0.37 -0.06 -0.70 0.00 0.00 0.00 174.94 174.57 1a9x s GLU 6235N 0.34 3.52 0.24 2.79 2.12 0.69 -0.99 118.70 127.41 1a9x s GLU 6235Ca -0.09 -0.59 -0.30 0.00 0.36 0.00 0.00 54.97 54.36 1a9x s GLU 6235Cb -0.13 -2.89 -0.09 0.00 0.26 0.00 0.00 34.13 31.28 1a9x s GLU 6235CO 0.03 0.09 1.09 -0.80 -0.54 0.00 0.00 175.26 175.13 1a9x s ASN 6236N 0.73 7.30 -0.06 -1.70 0.02 -0.13 -1.31 114.94 119.78 1a9x s ASN 6236Ca -0.03 2.19 -0.22 0.00 -1.02 0.00 0.00 52.86 53.78 1a9x s ASN 6236Cb -0.15 -2.62 -0.18 0.00 0.02 0.00 0.00 41.25 38.33 1a9x s ASN 6236CO 0.02 -0.15 0.90 0.15 0.02 0.00 0.00 177.10 178.04 1a9x h PHE 6237N 4.28 -0.13 -3.44 2.20 3.04 -1.04 -3.43 116.94 118.42 1a9x h PHE 6237Ca -0.46 -0.00 -0.52 0.00 3.98 0.00 0.00 57.97 60.97 1a9x h PHE 6237Cb 1.21 0.04 0.01 0.00 2.56 0.00 0.00 35.95 39.77 1a9x h PHE 6237CO 0.60 0.39 0.53 -0.51 -2.02 0.00 0.00 178.31 177.30 1a9x s ASP 6238N -5.63 7.15 1.12 0.41 1.01 -1.24 -4.42 116.67 115.07 1a9x s ASP 6238Ca -0.14 2.12 -0.11 0.00 0.71 0.00 0.00 52.55 55.13 1a9x s ASP 6238Cb 0.00 -2.60 0.16 0.00 1.01 0.00 0.00 42.92 41.50 1a9x s ASP 6238CO 0.53 -0.34 0.62 0.00 0.21 0.00 0.00 175.17 176.19 1a9x n ALA 6239N 2.83 -1.76 -1.77 5.23 0.00 -1.26 -4.72 120.51 119.05 1a9x n ALA 6239Ca 0.05 -0.91 -0.41 0.00 0.00 0.00 0.00 53.44 52.17 1a9x n ALA 6239Cb 0.46 -0.06 -0.01 0.00 0.00 0.00 0.00 19.45 19.83 1a9x n ALA 6239CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1a9x s MET 6240N -4.41 4.13 0.00 0.00 -1.94 -0.54 -2.75 119.30 113.79 1a9x s MET 6240Ca 0.40 2.56 0.00 0.00 -1.71 0.00 0.00 55.69 56.94 1a9x s MET 6240Cb -0.03 -3.01 0.00 0.00 2.01 0.00 0.00 34.83 33.80 1a9x s MET 6240CO 0.30 -0.58 0.00 0.41 -0.01 0.00 0.00 175.02 175.14 1a9x n GLY 6241N 1.53 2.11 3.08 -0.03 0.00 -1.26 -1.46 105.19 109.16 1a9x n GLY 6241Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1a9x n GLY 6241CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a9x s ILE 6242N -1.84 1.97 0.13 -0.61 1.01 -1.11 -3.12 121.20 117.63 1a9x s ILE 6242Ca 0.00 -1.09 -0.33 0.00 0.00 0.00 0.00 60.65 59.23 1a9x s ILE 6242Cb 0.00 -1.90 -0.18 0.00 0.01 0.00 0.00 42.46 40.39 1a9x s ILE 6242CO 0.00 0.33 0.80 1.57 0.00 0.00 0.00 174.94 177.64 1a9x n HIS 6243N 4.60 0.15 -0.24 3.97 -0.00 -0.59 -4.60 115.22 118.50 1a9x n HIS 6243Ca -0.18 0.97 0.21 0.00 -0.00 0.00 0.00 57.72 58.72 1a9x n HIS 6243Cb 0.47 -2.05 0.54 0.00 -0.00 0.00 0.00 29.99 28.96 1a9x n HIS 6243CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 1a9x h THR 6244N 1.92 0.64 0.00 3.57 1.35 -1.93 0.68 112.91 119.14 1a9x h THR 6244Ca -0.38 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1a9x h THR 6244Cb 1.42 0.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 1a9x h THR 6244CO 0.61 0.06 0.00 1.23 -0.25 0.00 0.00 175.52 177.18 1a9x h GLY 6245N 0.35 0.00 -1.22 5.82 0.00 -1.98 -2.40 103.07 103.64 1a9x h GLY 6245Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.81 1a9x h GLY 6245CO -0.17 0.00 -0.24 1.22 0.00 0.00 0.00 176.54 177.36 1a9x n ASP 6246N -3.02 2.23 -4.95 0.19 9.92 0.22 -4.79 116.55 116.34 1a9x n ASP 6246Ca 0.01 -1.61 -0.23 0.00 -0.53 0.00 0.00 54.79 52.43 1a9x n ASP 6246Cb 0.34 0.27 -0.02 0.00 -0.64 0.00 0.00 41.12 41.07 1a9x n ASP 6246CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1a9x s SER 6247N -2.01 6.32 0.13 -2.24 0.01 -0.04 -4.80 113.70 111.06 1a9x s SER 6247Ca 0.20 0.25 -0.29 0.00 1.31 0.00 0.00 55.95 57.42 1a9x s SER 6247Cb 0.16 -1.94 -0.06 0.00 0.21 0.00 0.00 66.02 64.39 1a9x s SER 6247CO 0.39 -0.15 0.92 -0.63 0.41 0.00 0.00 173.24 174.19 1a9x s ILE 6248N -2.10 4.44 0.05 1.44 1.01 -1.26 -4.35 121.20 120.44 1a9x s ILE 6248Ca 0.37 2.00 0.00 0.00 0.00 0.00 0.00 60.65 63.03 1a9x s ILE 6248Cb -0.09 -4.29 -0.03 0.00 0.01 0.00 0.00 42.46 38.05 1a9x s ILE 6248CO 0.32 0.37 -0.05 0.42 0.00 0.00 0.00 174.94 176.00 1a9x s THR 6249N -0.28 0.37 0.06 2.92 -4.23 -0.05 -0.37 115.64 114.06 1a9x s THR 6249Ca 0.44 -1.53 0.03 0.00 -1.18 0.00 0.00 61.69 59.45 1a9x s THR 6249Cb -0.23 -1.14 -0.03 0.00 1.34 0.00 0.00 72.50 72.43 1a9x s THR 6249CO 0.29 -0.76 -0.08 0.68 -0.54 0.00 0.00 174.62 174.21 1a9x s VAL 6250N -2.90 0.67 -0.04 2.29 -7.23 -0.43 0.89 120.40 113.65 1a9x s VAL 6250Ca 0.01 -1.32 0.05 0.00 -1.81 0.00 0.00 61.98 58.90 1a9x s VAL 6250Cb 0.00 -0.93 -0.01 0.00 0.56 0.00 0.00 36.38 36.00 1a9x s VAL 6250CO -0.05 -0.48 -0.20 0.00 -0.31 0.00 0.00 175.10 174.06 1a9x s ALA 6251N -1.91 1.79 0.75 1.32 0.00 0.18 -0.22 121.76 123.66 1a9x s ALA 6251Ca -0.03 -0.85 -0.02 0.00 0.00 0.00 0.00 51.96 51.06 1a9x s ALA 6251Cb -0.06 -0.56 0.04 0.00 0.00 0.00 0.00 23.12 22.53 1a9x s ALA 6251CO -0.00 0.35 0.22 -0.35 0.00 0.00 0.00 175.76 175.98 1a9x n PRO 6252N 3.00 0.08 -1.88 0.00 -0.04 -1.26 0.08 135.00 134.98 1a9x n PRO 6252Ca -0.17 -0.45 -0.36 0.00 -0.04 0.00 0.00 63.50 62.48 1a9x n PRO 6252Cb 0.53 -0.20 0.05 0.00 -0.04 0.00 0.00 33.50 33.83 1a9x n PRO 6252CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a9x s ALA 6253N -3.47 2.46 0.00 0.55 0.00 -1.21 -4.48 121.76 115.60 1a9x s ALA 6253Ca 0.14 1.01 0.00 0.00 0.00 0.00 0.00 51.96 53.11 1a9x s ALA 6253Cb -0.01 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1a9x s ALA 6253CO 0.09 -1.34 0.00 1.04 0.00 0.00 0.00 175.76 175.56 1a9x n GLN 6254N -1.83 2.98 -0.81 0.00 1.13 -1.26 -4.83 117.38 112.75 1a9x n GLN 6254Ca 0.14 0.00 -0.04 0.00 -1.94 0.00 0.00 57.00 55.16 1a9x n GLN 6254Cb 0.49 -0.99 0.23 0.00 0.11 0.00 0.00 30.24 30.08 1a9x n GLN 6254CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1a9x n THR 6255N -1.84 2.64 -4.46 5.09 -2.24 -1.26 -4.97 114.28 107.24 1a9x n THR 6255Ca 0.00 -2.27 -0.34 0.00 -2.27 0.00 0.00 64.05 59.17 1a9x n THR 6255Cb 0.37 -0.33 -0.10 0.00 -2.10 0.00 0.00 70.33 68.16 1a9x n THR 6255CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1a9x s LEU 6256N -3.12 3.43 0.67 3.22 1.43 -1.26 -5.10 118.68 117.94 1a9x s LEU 6256Ca 0.47 0.07 -0.11 0.00 -1.03 0.00 0.00 54.13 53.54 1a9x s LEU 6256Cb 0.41 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.83 1a9x s LEU 6256CO 0.05 0.37 1.05 0.42 0.23 0.00 0.00 176.35 178.47 1a9x s THR 6257N -0.87 4.21 0.26 5.49 -4.23 -1.26 -4.82 115.64 114.42 1a9x s THR 6257Ca 0.13 0.72 -0.01 0.00 -1.18 0.00 0.00 61.69 61.35 1a9x s THR 6257Cb -0.11 -3.62 0.24 0.00 1.34 0.00 0.00 72.50 70.35 1a9x s THR 6257CO 0.03 -0.94 1.79 -0.78 -0.54 0.00 0.00 174.62 174.18 1a9x h ASP 6258N -0.54 0.67 -0.81 3.99 3.58 -1.99 -0.94 116.42 120.39 1a9x h ASP 6258Ca -0.44 0.07 0.09 0.00 0.42 0.00 0.00 57.03 57.17 1a9x h ASP 6258Cb 1.21 -0.05 -0.07 0.00 1.72 0.00 0.00 39.33 42.14 1a9x h ASP 6258CO 0.61 0.33 0.46 0.11 -2.88 0.00 0.00 179.24 177.86 1a9x h LYS 6259N 0.76 0.76 -0.29 0.28 1.57 -2.00 -0.83 116.57 116.81 1a9x h LYS 6259Ca 0.46 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 59.02 1a9x h LYS 6259Cb 0.55 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 1a9x h LYS 6259CO -0.31 0.50 -0.49 0.93 -0.57 0.00 0.00 179.45 179.52 1a9x h GLU 6260N 0.78 0.85 -0.68 3.15 5.08 -1.71 -2.72 114.58 119.32 1a9x h GLU 6260Ca 0.39 -0.52 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 1a9x h GLU 6260Cb 0.34 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1a9x h GLU 6260CO -0.24 1.15 0.31 -0.92 -1.00 0.00 0.00 179.01 178.31 1a9x h TYR 6261N 0.62 1.01 -0.39 4.33 3.20 -0.65 -1.25 116.97 123.85 1a9x h TYR 6261Ca 0.02 -0.06 -0.12 0.00 3.14 0.00 0.00 58.73 61.71 1a9x h TYR 6261Cb 1.09 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 39.04 1a9x h TYR 6261CO 0.07 0.77 -0.25 1.96 -1.64 0.00 0.00 178.16 179.07 1a9x h GLN 6262N 0.96 0.80 -0.34 1.82 1.08 -1.16 0.90 115.11 119.17 1a9x h GLN 6262Ca 0.23 -0.34 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1a9x h GLN 6262Cb 0.16 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 1a9x h GLN 6262CO -0.03 0.96 0.22 0.82 -0.95 0.00 0.00 178.83 179.86 1a9x h ILE 6263N 0.69 1.09 -0.11 2.54 2.04 -1.35 0.56 117.51 122.97 1a9x h ILE 6263Ca 0.09 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 1a9x h ILE 6263Cb 0.78 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1a9x h ILE 6263CO 0.06 0.08 0.03 -0.03 0.00 0.00 0.00 178.15 178.30 1a9x h MET 6264N 0.46 0.16 -0.20 2.37 4.05 -0.71 0.85 114.93 121.91 1a9x h MET 6264Ca 0.12 -0.04 0.05 0.00 -0.28 0.00 0.00 59.70 59.56 1a9x h MET 6264Cb -0.05 -0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 30.68 1a9x h MET 6264CO -0.03 0.32 -0.11 -0.09 0.23 0.00 0.00 176.91 177.23 1a9x h ARG 6265N -0.02 -0.09 -0.60 0.39 2.43 0.12 -1.42 114.38 115.20 1a9x h ARG 6265Ca 0.03 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1a9x h ARG 6265Cb 0.22 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 1a9x h ARG 6265CO -0.00 -0.06 0.39 -0.91 -1.51 0.00 0.00 179.97 177.88 1a9x h ASN 6266N -0.09 0.68 -0.61 -3.80 -0.26 0.30 -2.12 115.58 109.68 1a9x h ASN 6266Ca 0.11 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.84 1a9x h ASN 6266Cb 0.26 -0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 37.32 1a9x h ASN 6266CO -0.26 0.49 0.39 0.00 -1.06 0.00 0.00 177.43 177.00 1a9x h ALA 6267N 1.22 1.55 0.09 -0.83 0.00 -0.36 -0.18 119.26 120.75 1a9x h ALA 6267Ca 0.22 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1a9x h ALA 6267Cb -0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1a9x h ALA 6267CO -0.05 0.41 -0.15 0.77 0.00 0.00 0.00 179.25 180.23 1a9x h SER 6268N 0.83 -0.41 -0.44 0.00 0.02 -0.62 0.54 113.55 113.46 1a9x h SER 6268Ca 0.22 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.20 1a9x h SER 6268Cb -0.08 0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 1a9x h SER 6268CO -0.05 -0.22 0.20 0.24 -1.14 0.00 0.00 176.83 175.86 1a9x h MET 6269N -0.30 0.64 -0.99 3.45 2.07 -1.22 -1.40 114.93 117.19 1a9x h MET 6269Ca 0.02 -0.10 0.02 0.00 -2.07 0.00 0.00 59.70 57.56 1a9x h MET 6269Cb 0.31 -0.11 -0.05 0.00 -1.87 0.00 0.00 31.60 29.88 1a9x h MET 6269CO -0.08 0.57 0.66 0.00 1.07 0.00 0.00 176.91 179.13 1a9x h ALA 6270N 1.04 1.31 -0.24 6.32 0.00 -0.73 -2.47 119.26 124.49 1a9x h ALA 6270Ca 0.15 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1a9x h ALA 6270Cb 0.15 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1a9x h ALA 6270CO -0.02 0.64 0.03 0.28 0.00 0.00 0.00 179.25 180.18 1a9x h VAL 6271N 1.33 0.86 -0.52 0.00 2.07 0.11 -0.69 116.25 119.42 1a9x h VAL 6271Ca 0.37 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.89 1a9x h VAL 6271Cb -0.13 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 1a9x h VAL 6271CO -0.09 0.02 0.28 -0.07 0.02 0.00 0.00 177.57 177.73 1a9x h LEU 6272N 0.11 0.41 -0.15 2.57 4.07 -1.11 -0.72 115.31 120.50 1a9x h LEU 6272Ca 0.11 0.02 -0.00 0.00 0.08 0.00 0.00 57.88 58.09 1a9x h LEU 6272Cb 0.13 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 1a9x h LEU 6272CO -0.17 0.29 0.09 0.03 -1.08 0.00 0.00 178.44 177.59 1a9x h ARG 6273N 0.54 0.20 -0.37 1.13 3.08 -1.25 0.31 114.38 118.02 1a9x h ARG 6273Ca 0.22 -0.02 -0.15 0.00 0.07 0.00 0.00 59.98 60.11 1a9x h ARG 6273Cb 0.10 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1a9x h ARG 6273CO -0.14 0.19 -0.35 1.49 -1.07 0.00 0.00 179.97 180.09 1a9x h GLU 6274N 0.16 0.86 -0.10 0.04 4.57 -0.83 -2.85 114.58 116.43 1a9x h GLU 6274Ca 0.05 -0.43 -0.08 0.00 -1.18 0.00 0.00 59.36 57.73 1a9x h GLU 6274Cb 0.04 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 1a9x h GLU 6274CO -0.01 1.07 -0.29 0.82 -1.18 0.00 0.00 179.01 179.42 1a9x h ILE 6275N 0.72 1.25 0.00 2.32 1.08 -1.00 -3.47 117.51 118.41 1a9x h ILE 6275Ca 0.07 -1.18 0.00 0.00 -0.39 0.00 0.00 64.86 63.36 1a9x h ILE 6275Cb 0.91 1.50 0.00 0.00 -3.07 0.00 0.00 36.82 36.16 1a9x h ILE 6275CO 0.08 0.35 0.00 0.61 -0.69 0.00 0.00 178.15 178.51 1a9x n GLY 6276N -0.52 1.54 3.56 5.37 0.00 0.95 -4.29 105.19 111.79 1a9x n GLY 6276Ca -0.01 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 1a9x n GLY 6276CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a9x s VAL 6277N -2.00 4.69 -0.33 1.61 1.01 -0.42 -4.75 120.40 120.20 1a9x s VAL 6277Ca 0.00 0.57 0.14 0.00 0.00 0.00 0.00 61.98 62.69 1a9x s VAL 6277Cb 0.00 -4.27 -0.18 0.00 0.00 0.00 0.00 36.38 31.93 1a9x s VAL 6277CO 0.00 -0.61 0.44 -0.62 0.00 0.00 0.00 175.10 174.31 1a9x n GLU 6278N 6.59 1.49 -3.15 2.72 1.02 -1.26 -4.65 120.64 123.40 1a9x n GLU 6278Ca 0.02 -0.06 -0.21 0.00 -0.02 0.00 0.00 57.16 56.89 1a9x n GLU 6278Cb 0.48 -1.23 -0.04 0.00 -0.02 0.00 0.00 31.44 30.63 1a9x n GLU 6278CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1a9x n THR 6279N -1.65 0.58 -3.33 2.62 -2.24 -1.25 -3.00 114.28 106.00 1a9x n THR 6279Ca 0.00 -4.75 0.00 0.00 -2.27 0.00 0.00 64.05 57.03 1a9x n THR 6279Cb 0.29 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.66 1a9x n THR 6279CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a9x n GLY 6280N 0.37 -1.20 3.99 3.38 0.00 -0.83 -3.92 105.19 106.97 1a9x n GLY 6280Ca 0.26 -0.92 -0.19 0.00 0.00 0.00 0.00 46.02 45.17 1a9x n GLY 6280CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a9x s GLY 6281N 0.00 1.54 0.04 -0.02 0.00 -1.26 -1.59 107.32 106.03 1a9x s GLY 6281Ca 0.00 -1.42 -0.27 0.00 0.00 0.00 0.00 44.72 43.03 1a9x s GLY 6281CO 0.00 -1.35 0.73 -0.56 0.00 0.00 0.00 173.10 171.92 1a9x s SER 6282N -4.15 -0.51 -0.07 1.64 0.01 -0.26 -3.52 113.70 106.83 1a9x s SER 6282Ca 0.44 0.18 0.02 0.00 1.31 0.00 0.00 55.95 57.89 1a9x s SER 6282Cb -0.09 0.50 -0.03 0.00 0.21 0.00 0.00 66.02 66.61 1a9x s SER 6282CO 0.31 -0.75 -0.11 0.21 0.41 0.00 0.00 173.24 173.31 1a9x s ASN 6283N -2.22 4.26 -0.07 2.44 3.84 -0.75 -0.85 114.94 121.59 1a9x s ASN 6283Ca -0.01 -0.16 0.05 0.00 0.21 0.00 0.00 52.86 52.96 1a9x s ASN 6283Cb -0.01 -1.11 -0.01 0.00 -0.55 0.00 0.00 41.25 39.58 1a9x s ASN 6283CO -0.06 0.32 -0.24 -0.69 -2.79 0.00 0.00 177.10 173.64 1a9x s VAL 6284N -0.54 1.97 -0.07 -5.21 1.01 -0.69 -0.58 120.40 116.30 1a9x s VAL 6284Ca 0.08 -1.01 0.05 0.00 0.00 0.00 0.00 61.98 61.09 1a9x s VAL 6284Cb -0.12 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 1a9x s VAL 6284CO 0.02 0.55 -0.21 -1.10 0.00 0.00 0.00 175.10 174.36 1a9x s GLN 6285N -0.01 2.67 0.24 2.72 -0.21 0.13 -1.19 119.66 124.01 1a9x s GLN 6285Ca -0.07 -0.83 0.04 0.00 0.02 0.00 0.00 55.36 54.51 1a9x s GLN 6285Cb -0.15 -2.28 -0.05 0.00 1.00 0.00 0.00 33.01 31.53 1a9x s GLN 6285CO 0.05 0.40 0.00 -0.06 -2.12 0.00 0.00 175.29 173.57 1a9x s PHE 6286N -0.20 1.62 -0.02 0.91 0.40 0.17 0.34 117.98 121.20 1a9x s PHE 6286Ca -0.02 -0.92 0.06 0.00 -0.60 0.00 0.00 56.93 55.45 1a9x s PHE 6286Cb -0.13 -0.95 -0.01 0.00 0.51 0.00 0.00 43.02 42.43 1a9x s PHE 6286CO 0.03 -0.03 -0.21 0.00 0.70 0.00 0.00 175.22 175.71 1a9x s ALA 6287N -3.40 1.77 -0.07 5.36 0.00 -0.31 -0.14 121.76 124.97 1a9x s ALA 6287Ca 0.30 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.37 1a9x s ALA 6287Cb 0.06 -0.47 0.02 0.00 0.00 0.00 0.00 23.12 22.72 1a9x s ALA 6287CO 0.10 0.42 -0.10 0.08 0.00 0.00 0.00 175.76 176.25 1a9x s VAL 6288N -0.41 1.03 -0.43 0.00 1.01 -0.41 -0.31 120.40 120.88 1a9x s VAL 6288Ca 0.06 -0.40 -0.26 0.00 0.00 0.00 0.00 61.98 61.38 1a9x s VAL 6288Cb -0.09 -0.97 0.02 0.00 0.00 0.00 0.00 36.38 35.34 1a9x s VAL 6288CO -0.00 0.34 0.93 0.21 0.00 0.00 0.00 175.10 176.58 1a9x s ASN 6289N 0.84 6.56 0.48 3.32 3.84 -0.43 -0.41 114.94 129.13 1a9x s ASN 6289Ca -0.11 0.28 0.29 0.00 0.21 0.00 0.00 52.86 53.53 1a9x s ASN 6289Cb -0.15 -2.46 1.58 0.00 -0.55 0.00 0.00 41.25 39.67 1a9x s ASN 6289CO 0.02 -1.00 1.88 1.55 -2.79 0.00 0.00 177.10 176.76 1a9x h PRO 6290N 8.89 0.00 0.00 0.43 0.13 -1.91 0.27 132.00 139.80 1a9x h PRO 6290Ca -0.24 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.71 1a9x h PRO 6290Cb 1.08 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 1a9x h PRO 6290CO 1.02 0.00 -0.91 0.87 -0.23 0.00 0.00 178.00 178.75 1a9x h LYS 6291N 0.00 0.00 0.00 0.86 1.57 -1.98 -3.40 116.57 113.62 1a9x h LYS 6291Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1a9x h LYS 6291Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1a9x h LYS 6291CO 0.00 0.81 0.00 0.27 -0.57 0.00 0.00 179.45 179.96 1a9x n ASN 6292N -3.29 0.08 0.00 0.86 0.23 -0.53 -5.01 115.26 107.61 1a9x n ASN 6292Ca -0.01 -1.03 0.00 0.00 -0.53 0.00 0.00 54.58 53.02 1a9x n ASN 6292Cb 0.89 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.59 1a9x n ASN 6292CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1a9x n GLY 6293N -0.01 0.56 3.68 4.83 0.00 0.82 -4.96 105.19 110.11 1a9x n GLY 6293Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 1a9x n GLY 6293CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1a9x n ARG 6294N -1.93 2.23 -4.27 1.61 0.63 -1.24 -4.62 116.66 109.06 1a9x n ARG 6294Ca 0.00 0.80 -0.34 0.00 -0.92 0.00 0.00 57.85 57.39 1a9x n ARG 6294Cb 0.06 -2.57 -0.10 0.00 0.45 0.00 0.00 32.46 30.29 1a9x n ARG 6294CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1a9x s LEU 6295N 0.84 3.53 -0.07 6.15 2.96 -1.26 -1.32 118.68 129.52 1a9x s LEU 6295Ca 0.77 0.03 0.03 0.00 -0.22 0.00 0.00 54.13 54.74 1a9x s LEU 6295Cb -0.65 -1.85 0.01 0.00 0.50 0.00 0.00 46.19 44.20 1a9x s LEU 6295CO 0.38 0.24 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.88 1a9x s ILE 6296N -0.06 1.33 -0.09 6.68 1.01 0.58 -4.36 121.20 126.29 1a9x s ILE 6296Ca 0.04 -0.61 -0.26 0.00 0.00 0.00 0.00 60.65 59.82 1a9x s ILE 6296Cb -0.13 -1.18 -0.02 0.00 0.01 0.00 0.00 42.46 41.13 1a9x s ILE 6296CO 0.02 0.40 0.85 -0.69 0.00 0.00 0.00 174.94 175.51 1a9x s VAL 6297N 0.48 4.92 -0.18 2.92 1.01 0.13 -1.16 120.40 128.52 1a9x s VAL 6297Ca -0.13 1.72 -0.14 0.00 0.00 0.00 0.00 61.98 63.43 1a9x s VAL 6297Cb -0.15 -4.17 -0.07 0.00 0.00 0.00 0.00 36.38 31.99 1a9x s VAL 6297CO 0.04 0.12 -0.20 -0.38 0.00 0.00 0.00 175.10 174.68 1a9x n ILE 6298N 4.25 1.47 -3.78 2.22 2.08 0.15 -4.52 119.36 121.23 1a9x n ILE 6298Ca 0.04 0.10 -0.04 0.00 0.56 0.00 0.00 62.75 63.40 1a9x n ILE 6298Cb 0.50 -2.28 -0.02 0.00 -0.75 0.00 0.00 39.64 37.10 1a9x n ILE 6298CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 1a9x s GLU 6299N -2.50 1.36 0.01 0.38 -1.05 -1.12 -4.99 118.70 110.79 1a9x s GLU 6299Ca -0.24 -0.75 0.01 0.00 -0.15 0.00 0.00 54.97 53.84 1a9x s GLU 6299Cb 0.05 0.46 -0.01 0.00 -0.44 0.00 0.00 34.13 34.19 1a9x s GLU 6299CO 0.37 -0.62 -0.04 0.00 0.95 0.00 0.00 175.26 175.91 1a9x s MET 6300N -3.45 0.33 -0.23 -4.83 0.23 -1.26 -0.70 119.30 109.39 1a9x s MET 6300Ca 0.12 -0.32 0.02 0.00 -1.03 0.00 0.00 55.69 54.48 1a9x s MET 6300Cb -0.03 -0.22 0.04 0.00 -1.53 0.00 0.00 34.83 33.09 1a9x s MET 6300CO 0.04 0.05 -0.14 -0.80 -2.03 0.00 0.00 175.02 172.14 1a9x s ASN 6301N -0.57 3.98 -1.09 -1.18 0.01 0.26 -4.77 114.94 111.57 1a9x s ASN 6301Ca -0.03 -1.10 -0.08 0.00 -0.71 0.00 0.00 52.86 50.94 1a9x s ASN 6301Cb -0.04 -1.53 -0.13 0.00 0.41 0.00 0.00 41.25 39.95 1a9x s ASN 6301CO -0.00 -0.12 3.00 -0.81 -1.51 0.00 0.00 177.10 177.66 1a9x n PRO 6302N 4.52 3.01 -3.86 -0.60 -0.04 -1.26 -1.81 135.00 134.95 1a9x n PRO 6302Ca -0.17 -1.76 0.03 0.00 -0.04 0.00 0.00 63.50 61.56 1a9x n PRO 6302Cb 0.45 -2.53 0.01 0.00 -0.04 0.00 0.00 33.50 31.39 1a9x n PRO 6302CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1a9x s ARG 6303N 2.01 0.23 0.79 0.54 1.70 -1.23 -4.86 118.95 118.13 1a9x s ARG 6303Ca 0.65 -0.14 -0.11 0.00 -0.47 0.00 0.00 55.73 55.66 1a9x s ARG 6303Cb 0.21 0.07 0.07 0.00 -0.57 0.00 0.00 34.95 34.72 1a9x s ARG 6303CO -0.04 -0.11 1.10 0.14 -1.08 0.00 0.00 175.30 175.32 1a9x s VAL 6304N -2.08 3.12 0.13 4.99 -7.23 -0.72 -4.38 120.40 114.23 1a9x s VAL 6304Ca 0.25 0.37 -0.00 0.00 -1.81 0.00 0.00 61.98 60.79 1a9x s VAL 6304Cb 0.02 -2.78 0.00 0.00 0.56 0.00 0.00 36.38 34.18 1a9x s VAL 6304CO -0.03 -0.47 0.17 -1.54 -0.31 0.00 0.00 175.10 172.93 1a9x n SER 6305N -3.60 -0.48 0.15 4.85 3.41 -1.26 -4.73 113.62 111.96 1a9x n SER 6305Ca 0.10 -1.74 -0.00 0.00 -0.26 0.00 0.00 58.87 56.97 1a9x n SER 6305Cb 0.53 0.92 0.25 0.00 -0.26 0.00 0.00 64.21 65.65 1a9x n SER 6305CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1a9x h ARG 6306N 0.00 0.04 -0.25 4.33 0.11 -1.95 -1.73 114.38 114.94 1a9x h ARG 6306Ca -0.10 -0.02 -0.18 0.00 0.10 0.00 0.00 59.98 59.77 1a9x h ARG 6306Cb 0.45 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.53 1a9x h ARG 6306CO 0.14 0.52 -0.57 0.77 0.10 0.00 0.00 179.97 180.94 1a9x h SER 6307N 0.04 0.87 -0.25 0.08 0.02 -1.98 0.10 113.55 112.42 1a9x h SER 6307Ca -0.00 -0.47 -0.11 0.00 -0.84 0.00 0.00 61.79 60.36 1a9x h SER 6307Cb 0.88 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 1a9x h SER 6307CO 0.07 1.25 -0.24 0.77 -1.14 0.00 0.00 176.83 177.54 1a9x h SER 6308N 0.59 0.74 -0.41 3.07 4.64 -1.89 0.45 113.55 120.73 1a9x h SER 6308Ca 0.01 -0.27 -0.02 0.00 -0.47 0.00 0.00 61.79 61.04 1a9x h SER 6308Cb 1.16 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 63.03 1a9x h SER 6308CO 0.12 0.95 0.17 0.00 -0.87 0.00 0.00 176.83 177.20 1a9x h ALA 6309N 1.10 0.54 -0.11 5.18 0.00 -1.20 0.14 119.26 124.91 1a9x h ALA 6309Ca 0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1a9x h ALA 6309Cb 0.73 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1a9x h ALA 6309CO 0.06 0.14 0.04 1.25 0.00 0.00 0.00 179.25 180.73 1a9x h LEU 6310N 0.52 0.15 -1.38 0.00 5.85 -0.52 -2.31 115.31 117.62 1a9x h LEU 6310Ca 0.14 -0.19 0.07 0.00 0.84 0.00 0.00 57.88 58.74 1a9x h LEU 6310Cb 0.18 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 1a9x h LEU 6310CO -0.01 0.30 0.48 0.00 -0.34 0.00 0.00 178.44 178.86 1a9x h ALA 6311N 0.86 1.71 -0.65 1.25 0.00 0.21 0.21 119.26 122.85 1a9x h ALA 6311Ca 0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1a9x h ALA 6311Cb 0.20 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1a9x h ALA 6311CO -0.00 0.17 0.34 0.77 0.00 0.00 0.00 179.25 180.53 1a9x h SER 6312N 0.75 0.82 -0.24 0.00 0.02 -0.40 -0.30 113.55 114.21 1a9x h SER 6312Ca 0.31 -0.11 -0.12 0.00 -0.84 0.00 0.00 61.79 61.04 1a9x h SER 6312Cb 0.27 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 1a9x h SER 6312CO -0.10 0.70 -0.30 0.11 -1.14 0.00 0.00 176.83 176.09 1a9x h LYS 6313N 0.89 0.63 -0.45 3.45 6.56 -0.83 0.65 116.57 127.46 1a9x h LYS 6313Ca 0.23 -0.36 -0.00 0.00 -1.06 0.00 0.00 60.65 59.46 1a9x h LYS 6313Cb 0.07 0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 31.73 1a9x h LYS 6313CO -0.03 0.96 0.28 0.00 -2.06 0.00 0.00 179.45 178.59 1a9x h ALA 6314N 0.66 0.57 0.00 3.86 0.00 -0.36 -3.33 119.26 120.66 1a9x h ALA 6314Ca 0.03 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 1a9x h ALA 6314Cb 0.88 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1a9x h ALA 6314CO 0.07 0.06 -1.88 0.25 0.00 0.00 0.00 179.25 177.75 1a9x n THR 6315N -4.74 0.85 -0.34 0.00 -2.24 -0.14 -4.99 114.28 102.68 1a9x n THR 6315Ca 0.01 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 1a9x n THR 6315Cb 0.05 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 1a9x n THR 6315CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a9x n GLY 6316N 1.45 0.69 3.59 3.38 0.00 0.22 -2.86 105.19 111.66 1a9x n GLY 6316Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 1a9x n GLY 6316CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1a9x s PHE 6317N -2.69 3.22 -1.09 1.61 2.19 -1.20 -4.69 117.98 115.33 1a9x s PHE 6317Ca 0.00 0.44 -0.22 0.00 0.33 0.00 0.00 56.93 57.48 1a9x s PHE 6317Cb 0.00 -2.86 0.05 0.00 -1.31 0.00 0.00 43.02 38.90 1a9x s PHE 6317CO 0.00 -0.43 1.55 -1.25 1.83 0.00 0.00 175.22 176.92 1a9x s PRO 6318N 2.41 3.63 0.15 10.12 0.04 -1.26 -4.30 135.00 145.79 1a9x s PRO 6318Ca 0.21 -1.30 -0.21 0.00 0.04 0.00 0.00 61.00 59.73 1a9x s PRO 6318Cb -0.15 -5.39 0.02 0.00 0.04 0.00 0.00 34.50 29.02 1a9x s PRO 6318CO 0.11 -2.29 1.65 0.82 0.04 0.00 0.00 177.00 177.33 1a9x h ILE 6319N 6.51 0.49 -0.53 0.56 2.04 -1.92 -1.53 117.51 123.13 1a9x h ILE 6319Ca 0.26 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 66.02 1a9x h ILE 6319Cb 0.97 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 1a9x h ILE 6319CO 1.43 0.00 -0.05 0.00 0.00 0.00 0.00 178.15 179.52 1a9x h ALA 6320N 0.92 0.91 0.36 1.87 0.00 -1.90 0.48 119.26 121.89 1a9x h ALA 6320Ca 0.13 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1a9x h ALA 6320Cb 0.39 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1a9x h ALA 6320CO -0.34 0.64 -0.18 -0.22 0.00 0.00 0.00 179.25 179.15 1a9x h LYS 6321N 0.86 -0.48 -0.05 0.00 3.64 -1.74 0.73 116.57 119.53 1a9x h LYS 6321Ca 0.15 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1a9x h LYS 6321Cb 0.58 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 1a9x h LYS 6321CO 0.03 -0.32 -0.03 0.28 -2.27 0.00 0.00 179.45 177.15 1a9x h VAL 6322N -0.50 0.90 -0.78 2.00 2.07 -1.12 -2.61 116.25 116.22 1a9x h VAL 6322Ca -0.05 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.58 1a9x h VAL 6322Cb 0.38 0.90 -0.08 0.00 -1.52 0.00 0.00 31.29 30.98 1a9x h VAL 6322CO 0.08 0.00 0.40 0.00 0.02 0.00 0.00 177.57 178.06 1a9x h ALA 6323N 1.02 1.11 -0.20 1.67 0.00 0.08 -0.23 119.26 122.71 1a9x h ALA 6323Ca 0.03 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1a9x h ALA 6323Cb 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1a9x h ALA 6323CO -0.07 -0.04 0.13 0.00 0.00 0.00 0.00 179.25 179.27 1a9x h ALA 6324N 1.48 0.25 -0.83 0.00 0.00 -0.52 -1.68 119.26 117.96 1a9x h ALA 6324Ca 0.40 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.36 1a9x h ALA 6324Cb 0.47 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1a9x h ALA 6324CO -0.30 -0.27 0.55 0.87 0.00 0.00 0.00 179.25 180.09 1a9x h LYS 6325N 0.27 0.90 0.00 0.00 1.57 -0.95 0.13 116.57 118.49 1a9x h LYS 6325Ca 0.07 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1a9x h LYS 6325Cb -0.03 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 1a9x h LYS 6325CO -0.02 0.60 -0.17 -0.07 -0.57 0.00 0.00 179.45 179.22 1a9x h LEU 6326N 0.93 0.00 -1.19 2.94 4.07 -0.42 -2.63 115.31 119.01 1a9x h LEU 6326Ca 0.36 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.28 1a9x h LEU 6326Cb 0.21 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.94 1a9x h LEU 6326CO -0.13 0.17 -0.20 0.00 -1.08 0.00 0.00 178.44 177.21 1a9x h ALA 6327N 1.83 1.03 -0.74 1.53 0.00 0.15 -3.00 119.26 120.05 1a9x h ALA 6327Ca -0.00 -0.18 -0.36 0.00 0.00 0.00 0.00 54.91 54.37 1a9x h ALA 6327Cb 0.41 -0.03 -0.21 0.00 0.00 0.00 0.00 17.79 17.96 1a9x h ALA 6327CO 0.02 0.25 0.36 1.33 0.00 0.00 0.00 179.25 181.21 1a9x n VAL 6328N -3.37 2.95 0.00 0.00 0.24 -1.02 -4.44 118.33 112.68 1a9x n VAL 6328Ca 0.00 -2.12 0.00 0.00 -2.04 0.00 0.00 64.34 60.18 1a9x n VAL 6328Cb 0.41 -0.40 0.00 0.00 -1.47 0.00 0.00 33.84 32.38 1a9x n VAL 6328CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a9x n GLY 6329N -0.97 2.86 3.73 7.63 0.00 -1.13 -0.58 105.19 116.72 1a9x n GLY 6329Ca 0.48 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.17 1a9x n GLY 6329CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a9x s TYR 6330N -2.78 2.18 0.23 1.61 2.02 -1.04 -3.94 117.35 115.63 1a9x s TYR 6330Ca 0.00 1.63 0.10 0.00 -0.37 0.00 0.00 57.07 58.42 1a9x s TYR 6330Cb 0.00 -3.30 -0.04 0.00 -0.40 0.00 0.00 41.96 38.22 1a9x s TYR 6330CO 0.00 -2.30 -0.10 0.95 -1.57 0.00 0.00 175.55 172.54 1a9x s THR 6331N -2.39 3.07 0.33 -0.71 -4.23 -1.22 -4.46 115.64 106.03 1a9x s THR 6331Ca 0.68 -1.92 0.08 0.00 -1.18 0.00 0.00 61.69 59.35 1a9x s THR 6331Cb -0.23 -2.57 0.32 0.00 1.34 0.00 0.00 72.50 71.35 1a9x s THR 6331CO 0.49 -0.25 1.81 -0.07 -0.54 0.00 0.00 174.62 176.06 1a9x h LEU 6332N 2.47 0.72 -1.35 4.79 3.38 -1.94 -0.42 115.31 122.97 1a9x h LEU 6332Ca -0.45 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.57 1a9x h LEU 6332Cb 1.23 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 1a9x h LEU 6332CO 0.57 0.30 -0.12 -2.24 0.09 0.00 0.00 178.44 177.03 1a9x h ASP 6333N 0.73 0.00 1.48 -0.43 2.03 -1.93 -2.90 116.42 115.41 1a9x h ASP 6333Ca 0.53 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.83 1a9x h ASP 6333Cb 0.87 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.37 1a9x h ASP 6333CO -0.31 0.12 -0.04 -0.33 -1.03 0.00 0.00 179.24 177.65 1a9x h GLU 6334N 0.00 0.00 -5.80 4.15 5.08 -1.47 -3.45 114.58 113.09 1a9x h GLU 6334Ca -0.00 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.72 1a9x h GLU 6334Cb 0.61 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.80 1a9x h GLU 6334CO 0.02 0.00 -0.45 -0.51 -1.00 0.00 0.00 179.01 177.07 1a9x s LEU 6335N -4.66 4.38 0.23 1.33 1.43 -1.16 -4.99 118.68 115.23 1a9x s LEU 6335Ca 0.10 0.46 -0.04 0.00 -1.03 0.00 0.00 54.13 53.62 1a9x s LEU 6335Cb 0.12 -2.51 -0.05 0.00 0.03 0.00 0.00 46.19 43.78 1a9x s LEU 6335CO 0.61 0.29 0.46 -0.04 0.23 0.00 0.00 176.35 177.91 1a9x s MET 6336N -1.65 3.61 -0.50 1.70 -1.94 -1.26 -0.48 119.30 118.76 1a9x s MET 6336Ca 0.24 -0.11 -0.26 0.00 -1.71 0.00 0.00 55.69 53.86 1a9x s MET 6336Cb -0.13 -2.75 0.03 0.00 2.01 0.00 0.00 34.83 34.00 1a9x s MET 6336CO 0.14 0.33 0.98 1.21 -0.01 0.00 0.00 175.02 177.68 1a9x s ASN 6337N -2.95 6.45 0.19 3.03 2.47 0.43 -4.53 114.94 120.03 1a9x s ASN 6337Ca 0.42 -0.00 -0.24 0.00 0.42 0.00 0.00 52.86 53.46 1a9x s ASN 6337Cb -0.11 -2.47 0.10 0.00 -1.45 0.00 0.00 41.25 37.32 1a9x s ASN 6337CO 0.28 -1.17 1.55 0.44 -3.72 0.00 0.00 177.10 174.48 1a9x h ASP 6338N 9.22 -1.67 0.97 -4.21 5.19 -1.92 -2.12 116.42 121.88 1a9x h ASP 6338Ca -0.25 0.30 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1a9x h ASP 6338Cb 1.07 0.80 0.00 0.00 0.18 0.00 0.00 39.33 41.38 1a9x h ASP 6338CO 1.07 -0.28 0.00 2.30 -3.12 0.00 0.00 179.24 179.21 1a9x n ILE 6339N -5.39 0.71 -1.05 0.35 -5.35 -1.26 -3.26 119.36 104.11 1a9x n ILE 6339Ca 0.06 0.05 -0.22 0.00 -0.27 0.00 0.00 62.75 62.36 1a9x n ILE 6339Cb 0.35 -0.92 0.16 0.00 -1.74 0.00 0.00 39.64 37.49 1a9x n ILE 6339CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1a9x n THR 6340N -2.14 3.03 -1.12 7.28 -2.24 -1.07 -3.91 114.28 114.11 1a9x n THR 6340Ca 0.04 -1.78 -0.04 0.00 -2.27 0.00 0.00 64.05 60.00 1a9x n THR 6340Cb 0.30 -0.53 -0.02 0.00 -2.10 0.00 0.00 70.33 67.98 1a9x n THR 6340CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a9x n GLY 6341N -1.01 0.68 2.37 3.38 0.00 -1.20 -2.73 105.19 106.68 1a9x n GLY 6341Ca 0.55 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1a9x n GLY 6341CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 6342N -1.86 0.63 0.16 -0.02 0.00 -0.82 -4.91 105.19 98.36 1a9x n GLY 6342Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 1a9x n GLY 6342CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1a9x h ARG 6343N 1.56 0.45 -6.31 1.61 3.08 -1.73 -3.41 114.38 109.63 1a9x h ARG 6343Ca 0.00 -0.10 -0.44 0.00 0.07 0.00 0.00 59.98 59.51 1a9x h ARG 6343Cb 0.03 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1a9x h ARG 6343CO 0.00 0.51 -0.35 0.95 -1.07 0.00 0.00 179.97 180.01 1a9x s THR 6344N -5.39 4.10 0.92 2.04 -4.23 -1.26 -4.98 115.64 106.83 1a9x s THR 6344Ca -0.13 -1.02 -0.14 0.00 -1.18 0.00 0.00 61.69 59.22 1a9x s THR 6344Cb 0.08 -3.42 0.18 0.00 1.34 0.00 0.00 72.50 70.68 1a9x s THR 6344CO 0.74 -0.17 1.28 -2.16 -0.54 0.00 0.00 174.62 173.77 1a9x s PRO 6345N -4.15 0.92 0.00 3.99 0.04 -1.26 -0.43 135.00 134.10 1a9x s PRO 6345Ca 0.44 -0.38 0.25 0.00 0.04 0.00 0.00 61.00 61.35 1a9x s PRO 6345Cb -0.09 -1.90 0.55 0.00 0.04 0.00 0.00 34.50 33.10 1a9x s PRO 6345CO 0.31 -2.22 1.44 0.00 0.04 0.00 0.00 177.00 176.57 1a9x n ALA 6346N -3.63 3.46 -2.73 8.56 0.00 0.36 -3.97 120.51 122.57 1a9x n ALA 6346Ca 0.14 -0.37 -0.43 0.00 0.00 0.00 0.00 53.44 52.78 1a9x n ALA 6346Cb 0.60 -1.11 -0.01 0.00 0.00 0.00 0.00 19.45 18.92 1a9x n ALA 6346CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1a9x s SER 6347N -2.87 6.76 -0.08 0.00 1.04 -1.10 -4.87 113.70 112.58 1a9x s SER 6347Ca 0.14 -2.24 -0.32 0.00 0.48 0.00 0.00 55.95 54.02 1a9x s SER 6347Cb 0.18 -2.50 0.12 0.00 0.10 0.00 0.00 66.02 63.92 1a9x s SER 6347CO 0.66 -1.14 1.19 0.72 0.98 0.00 0.00 173.24 175.65 1a9x s PHE 6348N 3.50 -0.11 -0.22 5.02 -0.71 -1.26 -4.97 117.98 119.23 1a9x s PHE 6348Ca 0.45 0.01 -0.07 0.00 -1.04 0.00 0.00 56.93 56.29 1a9x s PHE 6348Cb -0.00 0.54 -0.03 0.00 -1.21 0.00 0.00 43.02 42.32 1a9x s PHE 6348CO -0.02 -0.32 0.05 -1.21 -1.34 0.00 0.00 175.22 172.38 1a9x s GLU 6349N -2.56 3.70 0.68 1.99 2.02 -1.26 -4.83 118.70 118.45 1a9x s GLU 6349Ca 0.11 -0.47 -0.14 0.00 0.02 0.00 0.00 54.97 54.49 1a9x s GLU 6349Cb 0.01 -3.24 0.01 0.00 0.10 0.00 0.00 34.13 31.02 1a9x s GLU 6349CO -0.04 -0.05 1.11 -2.14 0.02 0.00 0.00 175.26 174.16 1a9x s PRO 6350N 1.23 2.66 -0.06 0.39 0.02 -1.26 -5.01 135.00 132.96 1a9x s PRO 6350Ca 0.04 1.39 0.01 0.00 0.02 0.00 0.00 61.00 62.47 1a9x s PRO 6350Cb -0.14 -1.93 0.02 0.00 0.02 0.00 0.00 34.50 32.46 1a9x s PRO 6350CO 0.03 -1.36 -0.09 0.45 -0.33 0.00 0.00 177.00 175.70 1a9x s SER 6351N -2.65 1.52 0.09 2.53 0.15 -0.78 -4.97 113.70 109.60 1a9x s SER 6351Ca 0.67 -0.24 0.08 0.00 0.70 0.00 0.00 55.95 57.17 1a9x s SER 6351Cb -0.21 -0.69 -0.04 0.00 -1.71 0.00 0.00 66.02 63.38 1a9x s SER 6351CO 0.44 -0.02 -0.19 0.27 1.20 0.00 0.00 173.24 174.95 1a9x s ILE 6352N 0.88 2.79 -0.48 6.45 -4.36 -1.26 -1.34 121.20 123.87 1a9x s ILE 6352Ca -0.11 -1.41 0.02 0.00 -0.26 0.00 0.00 60.65 58.89 1a9x s ILE 6352Cb -0.15 -2.24 0.45 0.00 1.25 0.00 0.00 42.46 41.77 1a9x s ILE 6352CO 0.01 0.18 1.61 -0.90 0.24 0.00 0.00 174.94 176.08 1a9x n ASP 6353N 1.05 6.31 -3.10 4.36 5.68 -1.26 -4.90 116.55 124.69 1a9x n ASP 6353Ca -0.16 -3.77 -0.08 0.00 -0.50 0.00 0.00 54.79 50.28 1a9x n ASP 6353Cb 0.52 -0.66 0.02 0.00 -1.14 0.00 0.00 41.12 39.86 1a9x n ASP 6353CO 0.00 0.00 0.00 -0.72 -1.33 0.00 0.00 177.20 175.15 1a9x s TYR 6354N -3.72 0.07 -0.08 2.11 -0.85 -1.26 -4.85 117.35 108.76 1a9x s TYR 6354Ca 0.58 -0.69 0.04 0.00 -0.52 0.00 0.00 57.07 56.47 1a9x s TYR 6354Cb 0.46 0.81 -0.01 0.00 0.38 0.00 0.00 41.96 43.60 1a9x s TYR 6354CO 0.00 -1.49 -0.21 0.08 -1.52 0.00 0.00 175.55 172.42 1a9x s VAL 6355N -2.57 2.40 -0.10 -3.49 1.01 0.11 -4.62 120.40 113.14 1a9x s VAL 6355Ca 0.15 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 1a9x s VAL 6355Cb -0.05 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 1a9x s VAL 6355CO 0.10 0.56 -0.07 -0.69 0.00 0.00 0.00 175.10 175.01 1a9x s VAL 6356N 0.00 3.68 -0.04 2.92 1.01 0.11 -1.78 120.40 126.30 1a9x s VAL 6356Ca -0.07 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.48 1a9x s VAL 6356Cb -0.15 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.69 1a9x s VAL 6356CO 0.05 0.56 -0.15 -0.89 0.00 0.00 0.00 175.10 174.67 1a9x s THR 6357N -0.31 1.26 -0.06 3.92 2.01 -0.80 -0.65 115.64 121.01 1a9x s THR 6357Ca 0.04 -0.61 0.04 0.00 0.31 0.00 0.00 61.69 61.47 1a9x s THR 6357Cb -0.13 -1.09 -0.02 0.00 0.01 0.00 0.00 72.50 71.27 1a9x s THR 6357CO 0.02 0.37 -0.16 -0.75 -0.69 0.00 0.00 174.62 173.41 1a9x s LYS 6358N 0.15 2.61 -0.06 4.92 2.20 0.26 -1.48 119.74 128.33 1a9x s LYS 6358Ca -0.05 -0.74 0.02 0.00 -0.36 0.00 0.00 55.97 54.84 1a9x s LYS 6358Cb -0.11 -2.36 0.01 0.00 -1.51 0.00 0.00 37.83 33.86 1a9x s LYS 6358CO 0.02 0.53 -0.12 0.42 -0.36 0.00 0.00 175.35 175.83 1a9x s ILE 6359N -0.49 1.14 0.53 5.43 1.01 -0.41 -0.87 121.20 127.54 1a9x s ILE 6359Ca 0.06 -0.49 -0.19 0.00 0.00 0.00 0.00 60.65 60.04 1a9x s ILE 6359Cb -0.12 -1.03 -0.07 0.00 0.01 0.00 0.00 42.46 41.25 1a9x s ILE 6359CO 0.01 0.35 1.05 -2.16 0.00 0.00 0.00 174.94 174.20 1a9x s PRO 6360N 0.59 3.62 -0.11 2.79 0.04 -1.26 -1.16 135.00 139.50 1a9x s PRO 6360Ca -0.13 1.31 -0.00 0.00 0.04 0.00 0.00 61.00 62.21 1a9x s PRO 6360Cb -0.15 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 1a9x s PRO 6360CO 0.03 -0.58 -0.09 0.50 0.04 0.00 0.00 177.00 176.90 1a9x s ARG 6361N -3.54 3.19 0.45 4.56 6.06 -0.12 -4.87 118.95 124.68 1a9x s ARG 6361Ca 0.66 -0.61 0.04 0.00 -2.50 0.00 0.00 55.73 53.33 1a9x s ARG 6361Cb -0.16 -2.66 -0.05 0.00 0.06 0.00 0.00 34.95 32.13 1a9x s ARG 6361CO 0.26 0.39 0.02 -0.06 -2.50 0.00 0.00 175.30 173.41 1a9x s PHE 6362N -0.08 2.19 -0.31 5.12 0.40 -1.26 -0.72 117.98 123.32 1a9x s PHE 6362Ca -0.00 -0.83 0.17 0.00 -0.60 0.00 0.00 56.93 55.67 1a9x s PHE 6362Cb -0.14 -1.65 0.46 0.00 0.51 0.00 0.00 43.02 42.20 1a9x s PHE 6362CO 0.03 0.30 1.22 0.09 0.70 0.00 0.00 175.22 177.57 1a9x n ASN 6363N -1.09 0.25 0.13 1.36 5.03 -1.26 -4.85 115.26 114.83 1a9x n ASN 6363Ca -0.11 -2.29 0.14 0.00 0.87 0.00 0.00 54.58 53.20 1a9x n ASN 6363Cb 0.67 0.03 0.67 0.00 -1.02 0.00 0.00 39.78 40.12 1a9x n ASN 6363CO 0.00 0.00 0.00 -0.26 -1.83 0.00 0.00 177.26 175.17 1a9x h PHE 6364N 2.19 0.00 0.00 3.10 0.04 -1.92 -2.30 116.94 118.05 1a9x h PHE 6364Ca -0.23 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.52 1a9x h PHE 6364Cb 1.26 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.41 1a9x h PHE 6364CO 0.30 0.00 -0.07 1.05 -0.60 0.00 0.00 178.31 178.99 1a9x h GLU 6365N 0.00 0.00 0.00 1.51 9.09 -1.98 0.13 114.58 123.34 1a9x h GLU 6365Ca 0.13 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.54 1a9x h GLU 6365Cb 0.53 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.63 1a9x h GLU 6365CO -0.00 0.07 0.00 1.63 0.05 0.00 0.00 179.01 180.76 1a9x n LYS 6366N -4.14 0.04 -3.31 1.06 5.02 -0.87 -3.97 118.16 111.98 1a9x n LYS 6366Ca -0.03 0.01 -0.26 0.00 -2.02 0.00 0.00 58.31 56.01 1a9x n LYS 6366Cb 0.16 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.59 1a9x n LYS 6366CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1a9x n PHE 6367N -1.48 2.37 -0.14 2.13 3.72 0.46 -4.96 117.46 119.56 1a9x n PHE 6367Ca 0.08 -3.96 -0.04 0.00 -0.05 0.00 0.00 57.45 53.48 1a9x n PHE 6367Cb 0.33 -0.49 0.04 0.00 -0.94 0.00 0.00 39.48 38.42 1a9x n PHE 6367CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a9x h ALA 6368N 4.00 0.48 0.00 4.37 0.00 -1.68 -1.78 119.26 124.66 1a9x h ALA 6368Ca 0.15 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1a9x h ALA 6368Cb 0.73 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1a9x h ALA 6368CO 0.71 -0.32 0.00 0.41 0.00 0.00 0.00 179.25 180.06 1a9x n GLY 6369N -1.26 -1.10 3.85 0.00 0.00 -1.26 -4.85 105.19 100.56 1a9x n GLY 6369Ca 0.04 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1a9x n GLY 6369CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9x s ALA 6370N -3.01 3.10 -0.20 4.61 0.00 -0.67 -4.47 121.76 121.12 1a9x s ALA 6370Ca 0.08 0.10 -0.29 0.00 0.00 0.00 0.00 51.96 51.85 1a9x s ALA 6370Cb 0.11 -3.08 -0.01 0.00 0.00 0.00 0.00 23.12 20.14 1a9x s ALA 6370CO 0.32 -0.29 1.34 1.21 0.00 0.00 0.00 175.76 178.33 1a9x s ASN 6371N -3.27 6.79 -0.23 0.00 3.84 -1.26 -4.92 114.94 115.89 1a9x s ASN 6371Ca 0.58 1.59 0.14 0.00 0.21 0.00 0.00 52.86 55.37 1a9x s ASN 6371Cb -0.10 -2.54 0.82 0.00 -0.55 0.00 0.00 41.25 38.88 1a9x s ASN 6371CO 0.35 -0.91 1.74 -0.90 -2.79 0.00 0.00 177.10 174.59 1a9x n ASP 6372N 7.12 5.72 -4.85 -4.21 5.68 -1.26 -4.95 116.55 119.79 1a9x n ASP 6372Ca 0.15 -2.92 -0.35 0.00 -0.50 0.00 0.00 54.79 51.17 1a9x n ASP 6372Cb 0.45 -0.69 -0.06 0.00 -1.14 0.00 0.00 41.12 39.69 1a9x n ASP 6372CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1a9x s ARG 6373N -2.74 3.90 0.15 0.11 1.81 -1.26 -4.21 118.95 116.71 1a9x s ARG 6373Ca 0.54 0.38 -0.30 0.00 -1.72 0.00 0.00 55.73 54.64 1a9x s ARG 6373Cb 0.41 -2.91 -0.07 0.00 -0.45 0.00 0.00 34.95 31.94 1a9x s ARG 6373CO 0.16 0.47 0.97 -0.51 -0.68 0.00 0.00 175.30 175.71 1a9x s LEU 6374N -2.07 4.54 0.00 2.53 1.43 -0.54 -4.98 118.68 119.59 1a9x s LEU 6374Ca 0.38 1.86 0.00 0.00 -1.03 0.00 0.00 54.13 55.34 1a9x s LEU 6374Cb -0.14 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1a9x s LEU 6374CO 0.19 -0.02 0.00 1.07 0.23 0.00 0.00 176.35 177.83 1a9x n THR 6375N 2.40 0.00 0.78 5.49 5.66 -1.26 -4.83 114.28 122.52 1a9x n THR 6375Ca 0.01 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.15 1a9x n THR 6375Cb 0.48 0.00 0.49 0.00 -1.55 0.00 0.00 70.33 69.75 1a9x n THR 6375CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1a9x n THR 6376N 0.00 0.34 -3.48 1.09 -2.24 -1.18 -1.54 114.28 107.26 1a9x n THR 6376Ca 0.00 -0.17 -0.38 0.00 -2.27 0.00 0.00 64.05 61.24 1a9x n THR 6376Cb 0.00 -0.53 -0.08 0.00 -2.10 0.00 0.00 70.33 67.61 1a9x n THR 6376CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1a9x s GLN 6377N -3.06 4.12 0.47 -0.78 0.74 -1.26 -4.13 119.66 115.75 1a9x s GLN 6377Ca 0.12 0.01 -0.24 0.00 0.05 0.00 0.00 55.36 55.30 1a9x s GLN 6377Cb 0.15 -3.55 -0.07 0.00 1.10 0.00 0.00 33.01 30.63 1a9x s GLN 6377CO 0.57 -0.04 1.39 -1.64 -0.55 0.00 0.00 175.29 175.03 1a9x s MET 6378N 1.32 3.58 0.00 1.67 -1.94 -0.30 -4.90 119.30 118.73 1a9x s MET 6378Ca 0.14 2.33 0.00 0.00 -1.71 0.00 0.00 55.69 56.46 1a9x s MET 6378Cb -0.14 -2.56 0.00 0.00 2.01 0.00 0.00 34.83 34.13 1a9x s MET 6378CO 0.07 -0.87 0.09 1.63 -0.01 0.00 0.00 175.02 175.93 1a9x n LYS 6379N -0.38 0.17 -2.17 2.03 5.02 -1.26 -4.90 118.16 116.68 1a9x n LYS 6379Ca 0.06 -0.09 -0.32 0.00 -2.02 0.00 0.00 58.31 55.94 1a9x n LYS 6379Cb 0.43 -0.51 -0.01 0.00 -0.02 0.00 0.00 35.03 34.91 1a9x n LYS 6379CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1a9x s SER 6380N -0.05 6.41 0.00 4.39 1.04 -1.26 -4.66 113.70 119.56 1a9x s SER 6380Ca 0.00 1.53 0.14 0.00 0.48 0.00 0.00 55.95 58.10 1a9x s SER 6380Cb 0.00 -2.50 0.21 0.00 0.10 0.00 0.00 66.02 63.83 1a9x s SER 6380CO 0.00 -0.74 1.08 1.33 0.98 0.00 0.00 173.24 175.89 1a9x n VAL 6381N -2.06 0.36 -3.14 5.02 0.24 0.10 -4.27 118.33 114.58 1a9x n VAL 6381Ca 0.06 -0.68 0.00 0.00 -2.04 0.00 0.00 64.34 61.68 1a9x n VAL 6381Cb 0.54 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.91 1a9x n VAL 6381CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a9x n GLY 6382N 0.78 -1.03 3.56 7.63 0.00 -1.14 -4.25 105.19 110.74 1a9x n GLY 6382Ca 0.10 -0.80 -0.09 0.00 0.00 0.00 0.00 46.02 45.23 1a9x n GLY 6382CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1a9x s GLU 6383N -0.27 0.63 0.25 1.61 -1.05 -1.26 -0.94 118.70 117.67 1a9x s GLU 6383Ca 0.00 0.01 0.12 0.00 -0.15 0.00 0.00 54.97 54.94 1a9x s GLU 6383Cb 0.00 0.29 -0.05 0.00 -0.44 0.00 0.00 34.13 33.94 1a9x s GLU 6383CO 0.00 -0.23 -0.19 0.54 0.95 0.00 0.00 175.26 176.33 1a9x s VAL 6384N -1.73 2.55 0.05 1.83 0.11 -0.31 -4.23 120.40 118.66 1a9x s VAL 6384Ca 0.01 -2.25 0.03 0.00 -2.93 0.00 0.00 61.98 56.84 1a9x s VAL 6384Cb -0.01 -2.31 -0.03 0.00 -1.53 0.00 0.00 36.38 32.51 1a9x s VAL 6384CO -0.02 -0.31 -0.09 -0.32 -3.33 0.00 0.00 175.10 171.03 1a9x s MET 6385N -3.28 0.61 0.05 1.54 0.00 -0.55 -1.28 119.30 116.38 1a9x s MET 6385Ca 0.28 -0.83 -0.03 0.00 0.00 0.00 0.00 55.69 55.10 1a9x s MET 6385Cb -0.06 -0.40 -0.02 0.00 0.00 0.00 0.00 34.83 34.35 1a9x s MET 6385CO 0.14 0.07 0.04 0.00 0.00 0.00 0.00 175.02 175.27 1a9x s ALA 6386N -1.48 0.19 -0.04 4.11 0.00 -0.55 -4.80 121.76 119.18 1a9x s ALA 6386Ca -0.07 -0.86 0.04 0.00 0.00 0.00 0.00 51.96 51.07 1a9x s ALA 6386Cb -0.09 0.28 -0.00 0.00 0.00 0.00 0.00 23.12 23.31 1a9x s ALA 6386CO 0.01 -0.35 -0.17 0.42 0.00 0.00 0.00 175.76 175.67 1a9x s ILE 6387N -3.24 1.41 0.11 0.00 1.01 -1.26 -1.90 121.20 117.33 1a9x s ILE 6387Ca 0.00 -0.70 -0.09 0.00 0.00 0.00 0.00 60.65 59.86 1a9x s ILE 6387Cb 0.03 -1.21 -0.00 0.00 0.01 0.00 0.00 42.46 41.28 1a9x s ILE 6387CO -0.08 0.41 0.23 -0.83 0.00 0.00 0.00 174.94 174.67 1a9x s GLY 6388N 0.07 0.18 0.00 6.18 0.00 -0.73 -4.69 107.32 108.34 1a9x s GLY 6388Ca -0.04 -0.66 0.27 0.00 0.00 0.00 0.00 44.72 44.29 1a9x s GLY 6388CO 0.02 -0.78 1.91 0.54 0.00 0.00 0.00 173.10 174.79 1a9x n ARG 6389N -0.12 0.25 -3.79 2.90 5.12 -1.26 0.06 116.66 119.83 1a9x n ARG 6389Ca -0.13 0.03 -0.09 0.00 -1.93 0.00 0.00 57.85 55.73 1a9x n ARG 6389Cb 0.63 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 30.36 1a9x n ARG 6389CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1a9x s THR 6390N -2.72 0.11 0.23 0.55 -4.23 -1.26 -4.67 115.64 103.66 1a9x s THR 6390Ca 0.21 -0.99 -0.06 0.00 -1.18 0.00 0.00 61.69 59.68 1a9x s THR 6390Cb 0.18 -1.31 0.19 0.00 1.34 0.00 0.00 72.50 72.90 1a9x s THR 6390CO 0.44 -0.52 1.80 -0.61 -0.54 0.00 0.00 174.62 175.19 1a9x h GLN 6391N 2.60 0.69 -0.32 3.99 5.75 -1.91 0.22 115.11 126.14 1a9x h GLN 6391Ca -0.34 -0.04 -0.14 0.00 -0.15 0.00 0.00 58.65 57.98 1a9x h GLN 6391Cb 1.22 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.61 1a9x h GLN 6391CO 0.52 0.45 -0.37 1.96 -2.65 0.00 0.00 178.83 178.75 1a9x h GLN 6392N 0.71 0.74 -0.27 1.69 4.20 -1.95 0.28 115.11 120.52 1a9x h GLN 6392Ca 0.36 -0.37 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 1a9x h GLN 6392Cb 0.33 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1a9x h GLN 6392CO -0.24 0.99 0.01 1.49 -0.67 0.00 0.00 178.83 180.41 1a9x h GLU 6393N 0.62 0.46 -0.52 1.46 4.81 -1.42 -1.69 114.58 118.30 1a9x h GLU 6393Ca 0.06 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.10 1a9x h GLU 6393Cb 0.91 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.23 1a9x h GLU 6393CO 0.08 0.62 0.16 1.03 -0.73 0.00 0.00 179.01 180.17 1a9x h SER 6394N 0.25 0.76 -0.31 1.04 0.87 -0.40 -2.10 113.55 113.66 1a9x h SER 6394Ca 0.08 -0.21 -0.05 0.00 -1.23 0.00 0.00 61.79 60.38 1a9x h SER 6394Cb 0.41 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 1a9x h SER 6394CO 0.01 0.76 -0.00 0.25 -0.53 0.00 0.00 176.83 177.33 1a9x h LEU 6395N 0.71 0.54 -0.74 2.23 5.85 -0.87 -2.29 115.31 120.74 1a9x h LEU 6395Ca 0.17 -0.31 -0.11 0.00 0.84 0.00 0.00 57.88 58.47 1a9x h LEU 6395Cb 0.28 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1a9x h LEU 6395CO -0.01 0.72 -0.24 1.56 -0.34 0.00 0.00 178.44 180.13 1a9x h GLN 6396N 0.35 0.70 -0.82 1.25 4.20 -1.28 -0.61 115.11 118.89 1a9x h GLN 6396Ca 0.09 -0.28 0.01 0.00 0.06 0.00 0.00 58.65 58.52 1a9x h GLN 6396Cb 0.44 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.15 1a9x h GLN 6396CO 0.02 0.87 0.54 0.87 -0.67 0.00 0.00 178.83 180.46 1a9x h LYS 6397N 0.61 1.09 -0.33 1.46 1.57 -1.28 -0.60 116.57 119.09 1a9x h LYS 6397Ca 0.08 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1a9x h LYS 6397Cb 0.74 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1a9x h LYS 6397CO 0.06 0.73 0.21 0.00 -0.57 0.00 0.00 179.45 179.88 1a9x h ALA 6398N 1.30 0.42 -0.52 3.86 0.00 -0.93 -1.74 119.26 121.65 1a9x h ALA 6398Ca 0.30 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1a9x h ALA 6398Cb -0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1a9x h ALA 6398CO -0.06 -0.10 0.28 -0.07 0.00 0.00 0.00 179.25 179.29 1a9x h LEU 6399N 0.44 0.65 0.00 0.00 3.38 -0.70 -1.04 115.31 118.04 1a9x h LEU 6399Ca 0.12 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1a9x h LEU 6399Cb -0.03 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1a9x h LEU 6399CO -0.02 0.57 0.00 -2.11 0.09 0.00 0.00 178.44 176.96 1a9x n ARG 6400N -4.63 0.13 -0.08 1.13 1.85 -0.27 -2.51 116.66 112.28 1a9x n ARG 6400Ca 0.02 0.15 0.11 0.00 -1.00 0.00 0.00 57.85 57.13 1a9x n ARG 6400Cb 0.09 -1.50 0.14 0.00 -1.05 0.00 0.00 32.46 30.14 1a9x n ARG 6400CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1a9x n GLY 6401N 0.38 1.20 0.05 2.89 0.00 -0.44 -4.50 105.19 104.77 1a9x n GLY 6401Ca 0.07 -0.67 0.11 0.00 0.00 0.00 0.00 46.02 45.52 1a9x n GLY 6401CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1a9x n LEU 6402N 1.32 0.28 -3.25 0.99 7.94 -0.91 -4.36 117.00 119.01 1a9x n LEU 6402Ca 0.15 0.55 -0.23 0.00 -1.11 0.00 0.00 56.01 55.37 1a9x n LEU 6402Cb 0.57 -0.50 0.05 0.00 0.53 0.00 0.00 43.42 44.07 1a9x n LEU 6402CO 0.14 -0.27 0.08 -0.62 -1.11 0.00 0.00 177.39 175.62 1a9x n GLU 6403N -1.79 -5.92 -0.08 1.96 -0.58 -1.26 -4.79 120.64 108.18 1a9x n GLU 6403Ca 0.04 0.87 0.06 0.00 -0.42 0.00 0.00 57.16 57.71 1a9x n GLU 6403Cb 0.26 -5.79 0.10 0.00 -0.57 0.00 0.00 31.44 25.43 1a9x n GLU 6403CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1a9x n VAL 6404N -4.68 1.57 -0.57 2.62 0.24 -1.26 -4.96 118.33 111.29 1a9x n VAL 6404Ca -0.07 -1.74 0.00 0.00 -2.04 0.00 0.00 64.34 60.50 1a9x n VAL 6404Cb 0.60 0.05 0.00 0.00 -1.47 0.00 0.00 33.84 33.02 1a9x n VAL 6404CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a9x n GLY 6405N -0.93 1.25 3.84 7.63 0.00 -1.26 -5.03 105.19 110.69 1a9x n GLY 6405Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1a9x n GLY 6405CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9x s ALA 6406N -3.34 2.92 0.00 4.61 0.00 -1.26 -4.91 121.76 119.78 1a9x s ALA 6406Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.04 1a9x s ALA 6406Cb 0.00 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.98 1a9x s ALA 6406CO 0.00 -0.76 0.60 0.25 0.00 0.00 0.00 175.76 175.85 1a9x n THR 6407N -2.52 0.33 0.00 0.00 -2.24 -1.26 -4.51 114.28 104.09 1a9x n THR 6407Ca 0.07 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1a9x n THR 6407Cb 0.54 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 1a9x n THR 6407CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a9x n GLY 6408N -0.17 -0.02 2.44 3.38 0.00 -1.26 -4.44 105.19 105.12 1a9x n GLY 6408Ca 0.00 -0.80 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 1a9x n GLY 6408CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1a9x n PHE 6409N 0.00 2.56 -1.93 1.61 3.72 -1.26 -4.88 117.46 117.28 1a9x n PHE 6409Ca 0.00 -2.92 -0.42 0.00 -0.05 0.00 0.00 57.45 54.06 1a9x n PHE 6409Cb 0.00 -2.08 -0.02 0.00 -0.94 0.00 0.00 39.48 36.44 1a9x n PHE 6409CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1a9x s ASP 6410N 1.05 6.56 0.40 4.37 1.01 -1.26 -4.93 116.67 123.87 1a9x s ASP 6410Ca 0.59 2.71 -0.27 0.00 0.71 0.00 0.00 52.55 56.29 1a9x s ASP 6410Cb 0.18 -2.61 -0.10 0.00 1.01 0.00 0.00 42.92 41.39 1a9x s ASP 6410CO -0.08 -0.80 1.47 -2.84 0.21 0.00 0.00 175.17 173.13 1a9x s PRO 6411N 0.19 3.97 -0.16 8.23 0.02 -1.26 -4.93 135.00 141.06 1a9x s PRO 6411Ca 0.64 2.52 0.14 0.00 0.02 0.00 0.00 61.00 64.33 1a9x s PRO 6411Cb -0.44 -2.87 -0.20 0.00 0.02 0.00 0.00 34.50 31.01 1a9x s PRO 6411CO 0.40 -0.62 0.05 1.17 -0.33 0.00 0.00 177.00 177.67 1a9x n LYS 6412N 0.25 1.36 -4.24 5.54 3.00 -1.26 -4.99 118.16 117.81 1a9x n LYS 6412Ca 0.02 -0.01 -0.22 0.00 -0.00 0.00 0.00 58.31 58.11 1a9x n LYS 6412Cb 0.40 -1.41 -0.12 0.00 0.00 0.00 0.00 35.03 33.89 1a9x n LYS 6412CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1a9x s VAL 6413N -2.39 1.47 0.46 3.15 -7.23 -1.26 -5.14 120.40 109.46 1a9x s VAL 6413Ca -0.08 -1.46 -0.19 0.00 -1.81 0.00 0.00 61.98 58.44 1a9x s VAL 6413Cb 0.05 -1.37 -0.09 0.00 0.56 0.00 0.00 36.38 35.53 1a9x s VAL 6413CO 0.66 -0.14 0.96 -0.94 -0.31 0.00 0.00 175.10 175.33 1a9x s SER 6414N -1.86 6.79 0.35 4.85 1.04 -1.26 -4.97 113.70 118.63 1a9x s SER 6414Ca 0.03 1.62 0.17 0.00 0.48 0.00 0.00 55.95 58.25 1a9x s SER 6414Cb -0.10 -2.52 0.56 0.00 0.10 0.00 0.00 66.02 64.06 1a9x s SER 6414CO 0.03 -0.46 1.68 -0.07 0.98 0.00 0.00 173.24 175.40 1a9x h LEU 6415N 1.46 0.00 -0.42 2.42 3.38 -2.00 -2.90 115.31 117.24 1a9x h LEU 6415Ca -0.48 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 1a9x h LEU 6415Cb 1.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 1a9x h LEU 6415CO 0.61 0.42 -0.04 -2.24 0.09 0.00 0.00 178.44 177.29 1a9x h ASP 6416N 0.00 0.00 -2.19 -0.43 3.04 -2.04 -3.45 116.42 111.35 1a9x h ASP 6416Ca -0.00 0.00 -0.56 0.00 -3.24 0.00 0.00 57.03 53.23 1a9x h ASP 6416Cb 1.00 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 39.30 1a9x h ASP 6416CO 0.06 0.04 1.36 -0.62 -2.04 0.00 0.00 179.24 178.04 1a9x s ASP 6417N -6.09 5.95 0.57 4.15 2.15 -1.10 -4.86 116.67 117.45 1a9x s ASP 6417Ca 0.05 2.26 0.37 0.00 0.43 0.00 0.00 52.55 55.66 1a9x s ASP 6417Cb 0.06 -2.52 1.72 0.00 -0.30 0.00 0.00 42.92 41.89 1a9x s ASP 6417CO 0.64 -1.51 2.10 1.55 -0.17 0.00 0.00 175.17 177.78 1a9x h PRO 6418N 12.84 0.00 -0.02 4.34 0.13 -1.90 -2.23 132.00 145.16 1a9x h PRO 6418Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1a9x h PRO 6418Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1a9x h PRO 6418CO 0.95 0.00 -0.27 0.39 -0.23 0.00 0.00 178.00 178.84 1a9x n GLU 6419N -3.03 1.58 -0.14 0.86 1.02 -1.26 -4.66 120.64 115.01 1a9x n GLU 6419Ca -0.01 -1.14 -0.04 0.00 -0.02 0.00 0.00 57.16 55.95 1a9x n GLU 6419Cb 0.21 -1.36 0.03 0.00 -0.02 0.00 0.00 31.44 30.29 1a9x n GLU 6419CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a9x h ALA 6420N 3.45 0.29 -0.54 0.62 0.00 -1.71 -1.81 119.26 119.55 1a9x h ALA 6420Ca 0.00 0.18 0.12 0.00 0.00 0.00 0.00 54.91 55.21 1a9x h ALA 6420Cb 0.69 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1a9x h ALA 6420CO 0.00 -0.45 0.37 -0.07 0.00 0.00 0.00 179.25 179.10 1a9x h LEU 6421N -0.01 0.17 -0.25 0.00 3.38 -1.83 0.10 115.31 116.88 1a9x h LEU 6421Ca 0.22 0.01 -0.18 0.00 0.09 0.00 0.00 57.88 58.01 1a9x h LEU 6421Cb 0.34 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1a9x h LEU 6421CO -0.47 0.10 -0.55 0.74 0.09 0.00 0.00 178.44 178.35 1a9x h THR 6422N 0.19 1.29 -0.42 0.22 2.02 -1.67 -0.13 112.91 114.40 1a9x h THR 6422Ca 0.26 -1.74 -0.14 0.00 0.77 0.00 0.00 66.41 65.55 1a9x h THR 6422Cb 0.76 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.89 1a9x h THR 6422CO -0.04 0.56 -0.30 0.11 0.37 0.00 0.00 175.52 176.22 1a9x h LYS 6423N 0.57 0.94 0.01 6.66 1.57 -1.00 -2.68 116.57 122.65 1a9x h LYS 6423Ca 0.00 -0.45 -0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1a9x h LYS 6423Cb 1.16 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1a9x h LYS 6423CO 0.12 1.11 -0.00 0.82 -0.57 0.00 0.00 179.45 180.93 1a9x h ILE 6424N 0.78 1.05 -0.71 1.86 2.04 -0.77 -2.57 117.51 119.18 1a9x h ILE 6424Ca 0.08 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1a9x h ILE 6424Cb 0.88 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 38.10 1a9x h ILE 6424CO 0.08 0.05 0.45 -0.09 0.00 0.00 0.00 178.15 178.64 1a9x h ARG 6425N -0.09 0.95 -0.44 2.37 2.43 -0.95 -0.94 114.38 117.72 1a9x h ARG 6425Ca -0.00 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.03 1a9x h ARG 6425Cb 0.08 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 1a9x h ARG 6425CO 0.00 0.65 0.02 -0.09 -1.51 0.00 0.00 179.97 179.04 1a9x h ARG 6426N 0.97 0.76 0.00 0.20 1.12 -1.37 0.61 114.38 116.68 1a9x h ARG 6426Ca 0.26 -0.23 -0.05 0.00 -1.11 0.00 0.00 59.98 58.85 1a9x h ARG 6426Cb -0.08 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 29.80 1a9x h ARG 6426CO -0.05 0.82 -0.23 0.93 -3.11 0.00 0.00 179.97 178.33 1a9x h GLU 6427N 0.61 0.00 0.14 0.20 4.39 -1.03 0.17 114.58 119.06 1a9x h GLU 6427Ca 0.13 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.48 1a9x h GLU 6427Cb 0.47 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 1a9x h GLU 6427CO 0.02 0.23 -1.82 -0.07 -1.16 0.00 0.00 179.01 176.21 1a9x h LEU 6428N 0.00 0.47 -0.01 1.33 4.07 -0.89 -3.30 115.31 116.98 1a9x h LEU 6428Ca -0.00 -0.84 -0.22 0.00 0.08 0.00 0.00 57.88 56.90 1a9x h LEU 6428Cb 0.52 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 42.08 1a9x h LEU 6428CO 0.03 1.73 -1.02 0.50 -1.08 0.00 0.00 178.44 178.60 1a9x h LYS 6429N 0.08 0.04 -3.03 1.13 3.64 -0.72 -3.36 116.57 114.35 1a9x h LYS 6429Ca -0.36 -0.06 -0.62 0.00 -1.27 0.00 0.00 60.65 58.34 1a9x h LYS 6429Cb 2.06 0.02 -0.40 0.00 -0.41 0.00 0.00 32.23 33.50 1a9x h LYS 6429CO 0.14 1.01 -0.70 -0.51 -2.27 0.00 0.00 179.45 177.12 1a9x s ASP 6430N -6.77 3.82 0.32 4.20 1.01 0.59 -4.92 116.67 114.93 1a9x s ASP 6430Ca 0.00 -3.04 -0.28 0.00 0.71 0.00 0.00 52.55 49.95 1a9x s ASP 6430Cb 0.10 -1.24 -0.13 0.00 1.01 0.00 0.00 42.92 42.66 1a9x s ASP 6430CO 0.83 -0.21 1.21 0.00 0.21 0.00 0.00 175.17 177.21 1a9x n ALA 6431N 3.02 0.82 -3.85 5.23 0.00 -1.24 -4.44 120.51 120.06 1a9x n ALA 6431Ca 0.13 0.37 -0.10 0.00 0.00 0.00 0.00 53.44 53.84 1a9x n ALA 6431Cb 0.35 -2.18 -0.03 0.00 0.00 0.00 0.00 19.45 17.60 1a9x n ALA 6431CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a9x n GLY 6432N 0.95 3.80 0.30 0.00 0.00 -1.26 -1.46 105.19 107.52 1a9x n GLY 6432Ca 0.06 -2.00 0.19 0.00 0.00 0.00 0.00 46.02 44.28 1a9x n GLY 6432CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9x h ALA 6433N 1.24 1.00 -0.03 4.61 0.00 -1.96 -2.94 119.26 121.18 1a9x h ALA 6433Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1a9x h ALA 6433Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1a9x h ALA 6433CO 0.18 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.18 1a9x n ASP 6434N -3.08 2.34 -0.31 0.00 8.00 -1.26 -4.55 116.55 117.69 1a9x n ASP 6434Ca -0.01 -1.78 0.17 0.00 0.71 0.00 0.00 54.79 53.88 1a9x n ASP 6434Cb 0.22 -0.01 0.35 0.00 -0.02 0.00 0.00 41.12 41.66 1a9x n ASP 6434CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1a9x h ARG 6435N 3.65 0.19 -0.90 -1.24 2.43 -1.78 -0.11 114.38 116.61 1a9x h ARG 6435Ca 0.00 -0.01 0.17 0.00 -0.81 0.00 0.00 59.98 59.33 1a9x h ARG 6435Cb 0.78 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 30.21 1a9x h ARG 6435CO 0.00 0.12 0.58 0.97 -1.51 0.00 0.00 179.97 180.14 1a9x h ILE 6436N 0.19 0.77 -0.33 1.20 6.09 -1.86 -0.87 117.51 122.71 1a9x h ILE 6436Ca 0.62 -0.21 -0.14 0.00 -1.37 0.00 0.00 64.86 63.75 1a9x h ILE 6436Cb 1.32 0.11 -0.00 0.00 0.47 0.00 0.00 36.82 38.71 1a9x h ILE 6436CO -0.69 0.11 -0.36 -0.50 -3.07 0.00 0.00 178.15 173.65 1a9x h TRP 6437N 0.61 0.99 0.00 2.19 6.55 -1.36 -3.09 115.95 121.83 1a9x h TRP 6437Ca 0.47 -0.30 -0.05 0.00 0.95 0.00 0.00 58.89 59.95 1a9x h TRP 6437Cb 0.87 -0.20 -0.01 0.00 -0.86 0.00 0.00 29.16 28.96 1a9x h TRP 6437CO -0.00 1.09 -0.25 1.88 -1.05 0.00 0.00 178.44 180.11 1a9x h TYR 6438N 0.59 0.00 -0.53 0.49 0.05 -1.22 -1.45 116.97 114.90 1a9x h TYR 6438Ca 0.05 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.79 1a9x h TYR 6438Cb 0.94 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.66 1a9x h TYR 6438CO 0.07 0.25 0.17 0.82 -1.05 0.00 0.00 178.16 178.42 1a9x h ILE 6439N 0.00 1.23 -0.41 -2.88 2.04 -1.10 0.64 117.51 117.02 1a9x h ILE 6439Ca -0.00 -0.77 -0.06 0.00 1.00 0.00 0.00 64.86 65.02 1a9x h ILE 6439Cb 0.60 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 1a9x h ILE 6439CO 0.03 0.29 0.02 0.00 0.00 0.00 0.00 178.15 178.49 1a9x h ALA 6440N 1.03 0.56 -0.03 1.87 0.00 -1.40 -2.10 119.26 119.19 1a9x h ALA 6440Ca 0.17 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1a9x h ALA 6440Cb 0.27 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1a9x h ALA 6440CO -0.01 0.32 -0.07 -0.44 0.00 0.00 0.00 179.25 179.06 1a9x h ASP 6441N 0.56 0.04 -0.36 0.00 3.32 -0.91 -0.84 116.42 118.22 1a9x h ASP 6441Ca 0.12 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 1a9x h ASP 6441Cb 0.46 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1a9x h ASP 6441CO 0.02 0.12 -0.01 0.00 -1.72 0.00 0.00 179.24 177.64 1a9x h ALA 6442N 1.89 0.49 -0.50 3.45 0.00 0.95 -2.04 119.26 123.50 1a9x h ALA 6442Ca 0.01 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1a9x h ALA 6442Cb 0.16 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1a9x h ALA 6442CO 0.01 0.27 0.06 0.74 0.00 0.00 0.00 179.25 180.33 1a9x h PHE 6443N 0.46 0.84 -0.75 0.00 0.04 -0.87 -2.16 116.94 114.49 1a9x h PHE 6443Ca 0.10 -0.10 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1a9x h PHE 6443Cb 0.48 -0.24 -0.04 0.00 2.20 0.00 0.00 35.95 38.36 1a9x h PHE 6443CO 0.04 0.75 0.43 0.00 -0.60 0.00 0.00 178.31 178.93 1a9x h ARG 6444N 0.76 1.03 -0.37 1.51 3.08 -1.02 -2.52 114.38 116.85 1a9x h ARG 6444Ca 0.16 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1a9x h ARG 6444Cb 0.38 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1a9x h ARG 6444CO 0.01 0.74 0.00 0.00 -1.07 0.00 0.00 179.97 179.65 1a9x n ALA 6445N -2.42 2.56 -1.08 0.04 0.00 -0.78 -4.92 120.51 113.91 1a9x n ALA 6445Ca 0.08 -0.29 -0.03 0.00 0.00 0.00 0.00 53.44 53.20 1a9x n ALA 6445Cb 0.08 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.52 1a9x n ALA 6445CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a9x n GLY 6446N 0.56 0.60 3.78 0.00 0.00 -0.95 -5.03 105.19 104.13 1a9x n GLY 6446Ca 0.05 -0.69 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 1a9x n GLY 6446CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a9x s LEU 6447N -0.61 4.38 0.54 0.99 1.43 -0.86 -5.04 118.68 119.50 1a9x s LEU 6447Ca 0.00 1.85 -0.05 0.00 -1.03 0.00 0.00 54.13 54.91 1a9x s LEU 6447Cb 0.00 -3.96 -0.01 0.00 0.03 0.00 0.00 46.19 42.25 1a9x s LEU 6447CO 0.00 -0.04 0.83 -0.94 0.23 0.00 0.00 176.35 176.43 1a9x s SER 6448N -1.55 5.82 0.19 2.29 1.04 -1.26 -4.55 113.70 115.68 1a9x s SER 6448Ca 0.49 0.70 -0.13 0.00 0.48 0.00 0.00 55.95 57.49 1a9x s SER 6448Cb -0.20 -1.83 0.20 0.00 0.10 0.00 0.00 66.02 64.30 1a9x s SER 6448CO 0.25 -0.87 1.68 0.58 0.98 0.00 0.00 173.24 175.87 1a9x h VAL 6449N 0.03 0.60 0.00 5.02 2.07 -1.96 0.29 116.25 122.31 1a9x h VAL 6449Ca -0.46 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 1a9x h VAL 6449Cb 1.24 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1a9x h VAL 6449CO 0.60 0.02 -0.12 0.44 0.02 0.00 0.00 177.57 178.54 1a9x h ASP 6450N 0.12 0.00 -0.13 0.57 3.32 -1.98 -0.45 116.42 117.88 1a9x h ASP 6450Ca 0.26 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.12 1a9x h ASP 6450Cb 0.39 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.95 1a9x h ASP 6450CO -0.42 0.12 -0.67 1.23 -1.72 0.00 0.00 179.24 177.78 1a9x h GLY 6451N 0.44 0.75 1.22 2.75 0.00 -0.89 -1.01 103.07 106.32 1a9x h GLY 6451Ca -0.00 -1.07 -0.07 0.00 0.00 0.00 0.00 47.33 46.19 1a9x h GLY 6451CO 0.02 0.95 0.10 -2.08 0.00 0.00 0.00 176.54 175.53 1a9x h VAL 6452N 0.36 1.25 -0.22 4.60 2.07 -0.70 -2.45 116.25 121.16 1a9x h VAL 6452Ca -0.05 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 1a9x h VAL 6452Cb 1.31 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1a9x h VAL 6452CO 0.14 0.36 0.10 0.15 0.02 0.00 0.00 177.57 178.33 1a9x h PHE 6453N 0.91 0.33 0.00 1.57 3.57 -0.90 -0.15 116.94 122.28 1a9x h PHE 6453Ca 0.19 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 1a9x h PHE 6453Cb 0.39 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 1a9x h PHE 6453CO 0.03 0.35 -0.16 -0.91 -2.23 0.00 0.00 178.31 175.38 1a9x h ASN 6454N 0.22 0.00 0.20 0.41 2.35 -0.96 0.38 115.58 118.18 1a9x h ASN 6454Ca 0.08 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.54 1a9x h ASN 6454Cb 0.15 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.55 1a9x h ASN 6454CO -0.01 0.16 -1.24 -0.07 -1.65 0.00 0.00 177.43 174.62 1a9x h LEU 6455N 0.00 0.74 0.01 1.61 3.38 -0.98 -3.40 115.31 116.67 1a9x h LEU 6455Ca -0.00 -0.91 -0.35 0.00 0.09 0.00 0.00 57.88 56.71 1a9x h LEU 6455Cb 0.36 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 1a9x h LEU 6455CO 0.02 1.60 -2.16 0.35 0.09 0.00 0.00 178.44 178.34 1a9x n THR 6456N -3.86 1.50 -1.08 0.22 -2.24 -0.11 -4.24 114.28 104.47 1a9x n THR 6456Ca -0.16 -0.79 -0.03 0.00 -2.27 0.00 0.00 64.05 60.81 1a9x n THR 6456Cb 1.00 -0.85 -0.01 0.00 -2.10 0.00 0.00 70.33 68.37 1a9x n THR 6456CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1a9x n ASN 6457N -2.96 -4.35 -4.72 3.42 5.03 0.13 -4.69 115.26 107.13 1a9x n ASN 6457Ca -0.29 0.06 -0.42 0.00 0.87 0.00 0.00 54.58 54.81 1a9x n ASN 6457Cb 1.10 -2.08 -0.04 0.00 -1.02 0.00 0.00 39.78 37.74 1a9x n ASN 6457CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1a9x s ILE 6458N -1.75 4.34 -0.00 2.41 1.01 -1.26 -4.63 121.20 121.32 1a9x s ILE 6458Ca 0.00 1.82 -0.37 0.00 0.00 0.00 0.00 60.65 62.10 1a9x s ILE 6458Cb 0.00 -4.16 -0.15 0.00 0.01 0.00 0.00 42.46 38.15 1a9x s ILE 6458CO 0.00 0.22 1.54 -0.67 0.00 0.00 0.00 174.94 176.02 1a9x n ASP 6459N 3.25 2.28 0.19 3.58 -0.08 -1.26 -4.77 116.55 119.75 1a9x n ASP 6459Ca 0.05 1.09 0.18 0.00 -1.51 0.00 0.00 54.79 54.60 1a9x n ASP 6459Cb 0.48 -1.24 0.77 0.00 2.34 0.00 0.00 41.12 43.48 1a9x n ASP 6459CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1a9x h ARG 6460N 5.93 0.00 -0.94 -0.67 3.08 -1.95 0.22 114.38 120.05 1a9x h ARG 6460Ca -0.47 0.00 0.07 0.00 0.07 0.00 0.00 59.98 59.65 1a9x h ARG 6460Cb 1.31 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.30 1a9x h ARG 6460CO 0.86 0.00 0.61 2.35 -1.07 0.00 0.00 179.97 182.72 1a9x h TRP 6461N 0.00 1.09 0.07 3.04 7.01 -2.00 0.86 115.95 126.01 1a9x h TRP 6461Ca 0.12 0.03 -0.18 0.00 2.11 0.00 0.00 58.89 60.97 1a9x h TRP 6461Cb 0.90 -0.36 0.02 0.00 -2.10 0.00 0.00 29.16 27.62 1a9x h TRP 6461CO 0.00 0.56 -0.74 0.74 -2.79 0.00 0.00 178.44 176.21 1a9x h PHE 6462N 1.06 0.61 -0.89 2.65 0.04 -1.31 -3.35 116.94 115.75 1a9x h PHE 6462Ca 0.41 -0.38 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 1a9x h PHE 6462Cb 0.21 -0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.27 1a9x h PHE 6462CO -0.00 1.24 0.56 -0.07 -0.60 0.00 0.00 178.31 179.43 1a9x h LEU 6463N -0.20 1.05 -1.99 1.54 3.38 -1.16 -0.54 115.31 117.39 1a9x h LEU 6463Ca -0.11 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1a9x h LEU 6463Cb 1.50 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 1a9x h LEU 6463CO 0.14 0.79 -0.08 -0.37 0.09 0.00 0.00 178.44 179.01 1a9x h VAL 6464N 1.22 0.38 0.00 1.22 -1.51 -0.98 -1.79 116.25 114.79 1a9x h VAL 6464Ca 0.32 -0.46 -0.17 0.00 -1.23 0.00 0.00 66.70 65.16 1a9x h VAL 6464Cb -0.08 1.33 -0.02 0.00 -2.13 0.00 0.00 31.29 30.38 1a9x h VAL 6464CO -0.06 0.08 -0.83 1.56 -1.23 0.00 0.00 177.57 177.08 1a9x h GLN 6465N 0.00 0.00 -0.15 5.19 4.20 -1.22 -2.03 115.11 121.09 1a9x h GLN 6465Ca -0.00 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 1a9x h GLN 6465Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 1a9x h GLN 6465CO 0.01 0.83 -0.38 0.82 -0.67 0.00 0.00 178.83 179.44 1a9x h ILE 6466N 0.00 1.35 -0.98 2.54 2.04 -1.19 -2.23 117.51 119.04 1a9x h ILE 6466Ca -0.01 -1.65 0.05 0.00 1.00 0.00 0.00 64.86 64.25 1a9x h ILE 6466Cb 1.53 2.01 -0.06 0.00 -0.74 0.00 0.00 36.82 39.56 1a9x h ILE 6466CO 0.11 0.50 0.63 -0.08 0.00 0.00 0.00 178.15 179.31 1a9x h GLU 6467N 0.16 1.16 -0.49 2.37 4.81 -1.34 -0.13 114.58 121.13 1a9x h GLU 6467Ca -0.00 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1a9x h GLU 6467Cb 0.99 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 1a9x h GLU 6467CO 0.08 0.77 0.32 1.49 -0.73 0.00 0.00 179.01 180.94 1a9x h GLU 6468N 1.19 0.64 -0.71 1.92 4.81 -1.21 -2.07 114.58 119.16 1a9x h GLU 6468Ca 0.40 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.66 1a9x h GLU 6468Cb 0.08 -0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.25 1a9x h GLU 6468CO -0.15 0.42 0.40 -0.07 -0.73 0.00 0.00 179.01 178.89 1a9x h LEU 6469N 0.66 0.59 -0.28 1.64 3.38 -0.45 -1.35 115.31 119.50 1a9x h LEU 6469Ca 0.18 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.21 1a9x h LEU 6469Cb -0.07 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1a9x h LEU 6469CO -0.04 0.38 0.09 0.58 0.09 0.00 0.00 178.44 179.54 1a9x h VAL 6470N 0.73 0.92 -0.18 1.22 2.07 -0.75 0.12 116.25 120.38 1a9x h VAL 6470Ca 0.32 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.76 1a9x h VAL 6470Cb 0.20 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1a9x h VAL 6470CO -0.19 0.04 0.11 0.03 0.02 0.00 0.00 177.57 177.58 1a9x h ARG 6471N 0.22 0.24 -0.60 1.57 2.47 -0.78 0.16 114.38 117.66 1a9x h ARG 6471Ca 0.12 -0.02 0.01 0.00 -1.26 0.00 0.00 59.98 58.84 1a9x h ARG 6471Cb 0.09 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.33 1a9x h ARG 6471CO -0.13 0.20 0.40 -0.07 0.56 0.00 0.00 179.97 180.93 1a9x h LEU 6472N 0.22 0.67 -0.43 3.04 3.38 -0.94 -1.69 115.31 119.57 1a9x h LEU 6472Ca 0.07 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1a9x h LEU 6472Cb 0.01 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1a9x h LEU 6472CO -0.01 0.48 0.25 -0.33 0.09 0.00 0.00 178.44 178.92 1a9x h GLU 6473N 0.79 0.50 -0.49 1.13 5.08 0.38 -1.75 114.58 120.22 1a9x h GLU 6473Ca 0.23 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.61 1a9x h GLU 6473Cb -0.04 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.05 1a9x h GLU 6473CO -0.05 0.33 0.21 0.93 -1.00 0.00 0.00 179.01 179.42 1a9x h GLU 6474N 0.52 0.39 -0.96 2.33 5.08 -0.13 -1.97 114.58 119.84 1a9x h GLU 6474Ca 0.17 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.53 1a9x h GLU 6474Cb -0.00 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.11 1a9x h GLU 6474CO -0.07 0.26 0.63 -0.22 -1.00 0.00 0.00 179.01 178.61 1a9x h LYS 6475N 0.41 1.19 0.47 2.33 3.64 -1.00 -0.90 116.57 122.71 1a9x h LYS 6475Ca 0.23 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1a9x h LYS 6475Cb 0.20 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1a9x h LYS 6475CO -0.20 0.79 -0.31 0.28 -2.27 0.00 0.00 179.45 177.74 1a9x h VAL 6476N 1.23 0.36 -0.77 2.00 2.07 -0.61 0.11 116.25 120.64 1a9x h VAL 6476Ca 0.37 0.00 0.15 0.00 0.82 0.00 0.00 66.70 68.04 1a9x h VAL 6476Cb -0.04 0.36 -0.10 0.00 -1.52 0.00 0.00 31.29 29.99 1a9x h VAL 6476CO -0.11 0.00 0.30 0.00 0.02 0.00 0.00 177.57 177.78 1a9x h ALA 6477N -0.29 1.09 0.00 1.67 0.00 -1.16 0.51 119.26 121.08 1a9x h ALA 6477Ca -0.05 0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1a9x h ALA 6477Cb 0.62 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1a9x h ALA 6477CO 0.04 -0.23 -0.42 1.49 0.00 0.00 0.00 179.25 180.13 1a9x h GLU 6478N 0.43 0.00 0.00 0.00 4.81 -0.69 -3.19 114.58 115.93 1a9x h GLU 6478Ca 0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.66 1a9x h GLU 6478Cb 0.67 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1a9x h GLU 6478CO -0.42 0.42 -1.77 1.33 -0.73 0.00 0.00 179.01 177.83 1a9x n VAL 6479N -3.86 0.00 -2.08 0.32 0.24 0.33 -5.07 118.33 108.21 1a9x n VAL 6479Ca -0.01 -0.39 0.16 0.00 -2.04 0.00 0.00 64.34 62.06 1a9x n VAL 6479Cb 0.47 0.23 -0.04 0.00 -1.47 0.00 0.00 33.84 33.03 1a9x n VAL 6479CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a9x n GLY 6480N 1.32 -1.73 0.37 7.63 0.00 0.17 -2.50 105.19 110.44 1a9x n GLY 6480Ca -0.02 -1.13 0.08 0.00 0.00 0.00 0.00 46.02 44.94 1a9x n GLY 6480CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1a9x h ILE 6481N -1.07 0.95 -0.99 -0.61 2.10 -1.84 0.00 117.51 116.05 1a9x h ILE 6481Ca 0.02 -0.31 0.11 0.00 1.08 0.00 0.00 64.86 65.77 1a9x h ILE 6481Cb 1.06 -0.03 -0.08 0.00 -1.09 0.00 0.00 36.82 36.68 1a9x h ILE 6481CO 0.01 0.16 0.63 0.74 -1.08 0.00 0.00 178.15 178.61 1a9x h THR 6482N 0.89 0.94 0.00 2.19 2.02 -1.95 0.14 112.91 117.14 1a9x h THR 6482Ca 0.44 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 67.28 1a9x h THR 6482Cb 0.46 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 1a9x h THR 6482CO -0.20 0.18 0.00 0.61 0.37 0.00 0.00 175.52 176.48 1a9x n GLY 6483N -1.36 -1.16 3.01 2.16 0.00 -0.02 -4.43 105.19 103.39 1a9x n GLY 6483Ca 0.18 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1a9x n GLY 6483CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a9x n LEU 6484N -1.50 5.95 -4.87 0.99 4.77 0.50 -4.89 117.00 117.96 1a9x n LEU 6484Ca 0.05 -3.92 -0.30 0.00 -0.03 0.00 0.00 56.01 51.81 1a9x n LEU 6484Cb 0.23 -1.63 0.04 0.00 -2.33 0.00 0.00 43.42 39.73 1a9x n LEU 6484CO 0.18 0.60 0.74 0.54 -1.33 0.00 0.00 177.39 178.12 1a9x s ASN 6485N 3.77 5.61 0.40 -1.43 2.20 -1.26 -4.78 114.94 119.46 1a9x s ASN 6485Ca 0.51 1.25 0.14 0.00 -0.94 0.00 0.00 52.86 53.82 1a9x s ASN 6485Cb 0.11 -2.13 0.99 0.00 -2.00 0.00 0.00 41.25 38.23 1a9x s ASN 6485CO -0.02 -1.25 1.87 0.00 -2.94 0.00 0.00 177.10 174.77 1a9x h ALA 6486N -0.59 2.06 0.00 3.54 0.00 -1.98 -1.15 119.26 121.15 1a9x h ALA 6486Ca -0.45 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.36 1a9x h ALA 6486Cb 1.23 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1a9x h ALA 6486CO 0.63 -0.32 -0.54 -0.44 0.00 0.00 0.00 179.25 178.58 1a9x h ASP 6487N 0.50 0.00 0.16 0.00 3.32 -1.97 -2.58 116.42 115.85 1a9x h ASP 6487Ca 0.44 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 57.14 1a9x h ASP 6487Cb 0.95 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.50 1a9x h ASP 6487CO -0.18 0.54 -1.82 0.15 -1.72 0.00 0.00 179.24 176.21 1a9x h PHE 6488N 0.00 0.62 -0.72 4.55 3.57 -1.70 -2.56 116.94 120.70 1a9x h PHE 6488Ca -0.01 -0.45 0.03 0.00 3.53 0.00 0.00 57.97 61.07 1a9x h PHE 6488Cb 1.14 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.81 1a9x h PHE 6488CO 0.00 1.72 0.46 1.25 -2.23 0.00 0.00 178.31 179.50 1a9x h LEU 6489N 0.07 0.76 -1.00 0.59 5.85 -1.31 0.88 115.31 121.15 1a9x h LEU 6489Ca -0.37 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.26 1a9x h LEU 6489Cb 2.06 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.90 1a9x h LEU 6489CO 0.14 0.53 -0.18 -0.09 -0.34 0.00 0.00 178.44 178.50 1a9x h ARG 6490N 0.90 0.51 -0.28 1.25 2.43 -1.55 0.33 114.38 117.97 1a9x h ARG 6490Ca 0.29 -0.17 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1a9x h ARG 6490Cb 0.00 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1a9x h ARG 6490CO -0.10 0.68 -0.04 0.37 -1.51 0.00 0.00 179.97 179.37 1a9x h GLN 6491N 0.47 0.52 -0.69 0.20 4.15 -0.47 -1.64 115.11 117.64 1a9x h GLN 6491Ca 0.08 -0.18 -0.04 0.00 0.77 0.00 0.00 58.65 59.27 1a9x h GLN 6491Cb 0.58 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.20 1a9x h GLN 6491CO 0.04 0.70 0.28 -0.07 -1.93 0.00 0.00 178.83 177.85 1a9x h LEU 6492N 0.29 0.94 -0.61 -2.39 3.38 0.15 -2.72 115.31 114.35 1a9x h LEU 6492Ca 0.07 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 1a9x h LEU 6492Cb 0.49 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1a9x h LEU 6492CO 0.02 0.84 -0.43 0.11 0.09 0.00 0.00 178.44 179.07 1a9x h LYS 6493N 1.00 0.61 0.00 1.13 1.79 -0.28 -2.17 116.57 118.65 1a9x h LYS 6493Ca 0.23 -0.32 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1a9x h LYS 6493Cb 0.19 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 1a9x h LYS 6493CO -0.02 0.92 0.00 0.00 -1.08 0.00 0.00 179.45 179.27 1a9x h ARG 6494N 0.50 0.00 -0.23 3.15 3.08 -1.00 -0.97 114.38 118.91 1a9x h ARG 6494Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1a9x h ARG 6494Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.00 1a9x h ARG 6494CO 0.08 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.61 1a9x n LYS 6495N -2.37 1.91 -0.18 0.04 4.76 -0.87 -4.60 118.16 116.85 1a9x n LYS 6495Ca 0.01 -1.37 0.00 0.00 -2.87 0.00 0.00 58.31 54.08 1a9x n LYS 6495Cb 0.18 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 1a9x n LYS 6495CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1a9x n GLY 6496N 1.21 0.66 3.71 0.72 0.00 -0.37 -3.67 105.19 107.47 1a9x n GLY 6496Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1a9x n GLY 6496CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1a9x n PHE 6497N -2.00 2.63 -3.27 1.61 3.72 -0.88 -4.45 117.46 114.82 1a9x n PHE 6497Ca 0.00 0.23 -0.34 0.00 -0.05 0.00 0.00 57.45 57.29 1a9x n PHE 6497Cb 0.00 -2.59 -0.06 0.00 -0.94 0.00 0.00 39.48 35.89 1a9x n PHE 6497CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a9x s ALA 6498N 0.44 3.48 0.20 4.37 0.00 -1.26 -4.62 121.76 124.37 1a9x s ALA 6498Ca 0.70 -0.07 -0.12 0.00 0.00 0.00 0.00 51.96 52.47 1a9x s ALA 6498Cb -0.55 -2.62 0.25 0.00 0.00 0.00 0.00 23.12 20.20 1a9x s ALA 6498CO 0.43 0.41 1.68 -0.44 0.00 0.00 0.00 175.76 177.84 1a9x h ASP 6499N 2.93 -0.21 -0.98 0.00 3.32 -1.93 -1.48 116.42 118.06 1a9x h ASP 6499Ca -0.48 0.13 0.12 0.00 0.02 0.00 0.00 57.03 56.82 1a9x h ASP 6499Cb 1.18 0.23 -0.08 0.00 0.22 0.00 0.00 39.33 40.88 1a9x h ASP 6499CO 0.66 -0.08 0.61 0.00 -1.72 0.00 0.00 179.24 178.71 1a9x h ALA 6500N 1.50 1.47 -0.10 3.45 0.00 -1.92 0.30 119.26 123.96 1a9x h ALA 6500Ca 0.29 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 55.05 1a9x h ALA 6500Cb 0.45 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1a9x h ALA 6500CO -0.46 0.20 -0.63 -0.09 0.00 0.00 0.00 179.25 178.27 1a9x h ARG 6501N 0.96 0.61 -0.54 0.00 9.65 -1.54 -2.51 114.38 121.01 1a9x h ARG 6501Ca 0.49 -0.52 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 1a9x h ARG 6501Cb 0.48 0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 29.15 1a9x h ARG 6501CO -0.27 1.14 0.29 -0.07 2.80 0.00 0.00 179.97 183.86 1a9x h LEU 6502N 0.25 0.69 -0.35 3.80 3.38 -0.86 -1.79 115.31 120.43 1a9x h LEU 6502Ca -0.05 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 57.86 1a9x h LEU 6502Cb 1.27 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 1a9x h LEU 6502CO 0.13 0.59 0.13 0.00 0.09 0.00 0.00 178.44 179.38 1a9x h ALA 6503N 1.12 0.40 -0.62 1.53 0.00 -0.39 0.11 119.26 121.42 1a9x h ALA 6503Ca 0.19 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1a9x h ALA 6503Cb 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1a9x h ALA 6503CO -0.03 -0.26 0.34 0.87 0.00 0.00 0.00 179.25 180.18 1a9x h LYS 6504N 0.29 0.86 -0.65 0.00 1.57 -1.11 -0.01 116.57 117.52 1a9x h LYS 6504Ca 0.15 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1a9x h LYS 6504Cb 0.11 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 1a9x h LYS 6504CO -0.15 0.65 0.41 -0.07 -0.57 0.00 0.00 179.45 179.72 1a9x h LEU 6505N 0.84 0.76 -3.02 2.94 3.38 -0.68 -2.77 115.31 116.75 1a9x h LEU 6505Ca 0.22 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1a9x h LEU 6505Cb 0.03 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1a9x h LEU 6505CO -0.04 0.57 0.00 0.00 0.09 0.00 0.00 178.44 179.06 1a9x n ALA 6506N -2.44 2.74 -1.55 1.53 0.00 0.32 -4.00 120.51 117.11 1a9x n ALA 6506Ca 0.07 -1.52 -0.19 0.00 0.00 0.00 0.00 53.44 51.79 1a9x n ALA 6506Cb 0.05 -0.84 -0.08 0.00 0.00 0.00 0.00 19.45 18.59 1a9x n ALA 6506CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a9x n GLY 6507N 0.93 1.82 0.57 0.00 0.00 -0.17 -4.20 105.19 104.13 1a9x n GLY 6507Ca 0.22 -0.04 -0.03 0.00 0.00 0.00 0.00 46.02 46.17 1a9x n GLY 6507CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1a9x n VAL 6508N -2.39 0.00 -3.50 1.61 0.24 -0.30 -5.00 118.33 109.00 1a9x n VAL 6508Ca -0.19 -0.28 -0.28 0.00 -2.04 0.00 0.00 64.34 61.54 1a9x n VAL 6508Cb 0.65 -0.90 -0.03 0.00 -1.47 0.00 0.00 33.84 32.09 1a9x n VAL 6508CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1a9x s ARG 6509N -2.38 3.60 0.25 7.34 6.06 -1.26 -4.41 118.95 128.14 1a9x s ARG 6509Ca 0.09 -0.12 -0.05 0.00 -2.50 0.00 0.00 55.73 53.15 1a9x s ARG 6509Cb -0.01 -2.73 0.35 0.00 0.06 0.00 0.00 34.95 32.62 1a9x s ARG 6509CO 0.05 0.30 1.86 1.49 -2.50 0.00 0.00 175.30 176.51 1a9x h GLU 6510N 1.91 1.00 0.00 5.12 4.81 -1.89 -0.82 114.58 124.72 1a9x h GLU 6510Ca -0.48 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 58.69 1a9x h GLU 6510Cb 1.19 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.34 1a9x h GLU 6510CO 0.67 0.66 -0.03 0.00 -0.73 0.00 0.00 179.01 179.59 1a9x h ALA 6511N 1.42 1.47 -0.34 2.92 0.00 -1.93 -1.76 119.26 121.03 1a9x h ALA 6511Ca 0.39 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 55.11 1a9x h ALA 6511Cb 0.16 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1a9x h ALA 6511CO -0.17 0.04 -0.41 0.93 0.00 0.00 0.00 179.25 179.63 1a9x h GLU 6512N 0.00 0.86 -0.53 0.00 5.08 -1.53 -1.88 114.58 116.58 1a9x h GLU 6512Ca -0.00 -0.46 -0.09 0.00 -1.00 0.00 0.00 59.36 57.80 1a9x h GLU 6512Cb 0.08 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1a9x h GLU 6512CO 0.00 1.10 -0.03 0.82 -1.00 0.00 0.00 179.01 179.90 1a9x h ILE 6513N 0.70 1.26 -0.28 3.13 1.08 -1.33 -2.55 117.51 119.51 1a9x h ILE 6513Ca 0.05 -1.14 -0.08 0.00 -0.39 0.00 0.00 64.86 63.31 1a9x h ILE 6513Cb 0.99 0.88 -0.02 0.00 -3.07 0.00 0.00 36.82 35.61 1a9x h ILE 6513CO 0.10 0.40 -0.17 -0.09 -0.69 0.00 0.00 178.15 177.70 1a9x h ARG 6514N 0.86 0.50 -0.23 2.37 2.43 -1.13 -2.50 114.38 116.67 1a9x h ARG 6514Ca 0.15 -0.16 -0.15 0.00 -0.81 0.00 0.00 59.98 59.01 1a9x h ARG 6514Cb 0.55 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 1a9x h ARG 6514CO 0.03 0.65 -0.48 0.87 -1.51 0.00 0.00 179.97 179.53 1a9x h LYS 6515N 0.45 0.61 -0.72 0.20 1.57 -1.11 -2.12 116.57 115.46 1a9x h LYS 6515Ca 0.08 -0.35 0.08 0.00 -1.87 0.00 0.00 60.65 58.59 1a9x h LYS 6515Cb 0.55 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.82 1a9x h LYS 6515CO 0.04 0.95 0.38 1.25 -0.57 0.00 0.00 179.45 181.50 1a9x h LEU 6516N 0.48 0.54 -0.47 2.94 5.85 -1.25 0.21 115.31 123.61 1a9x h LEU 6516Ca 0.03 0.04 -0.15 0.00 0.84 0.00 0.00 57.88 58.64 1a9x h LEU 6516Cb 1.01 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1a9x h LEU 6516CO 0.09 0.33 -0.39 0.03 -0.34 0.00 0.00 178.44 178.17 1a9x h ARG 6517N 0.68 0.84 -0.51 1.25 3.08 -1.22 -1.34 114.38 117.15 1a9x h ARG 6517Ca 0.34 -0.44 0.07 0.00 0.07 0.00 0.00 59.98 60.02 1a9x h ARG 6517Cb 0.29 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.29 1a9x h ARG 6517CO -0.23 1.08 0.20 -0.44 -1.07 0.00 0.00 179.97 179.51 1a9x h ASP 6518N 0.69 0.23 0.10 7.04 5.19 -0.50 0.39 116.42 129.55 1a9x h ASP 6518Ca 0.06 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 1a9x h ASP 6518Cb 0.96 0.03 -0.02 0.00 0.18 0.00 0.00 39.33 40.47 1a9x h ASP 6518CO 0.09 0.16 -0.29 1.56 -3.12 0.00 0.00 179.24 177.64 1a9x h GLN 6519N 0.39 -0.42 0.00 3.56 4.20 -0.48 -2.05 115.11 120.31 1a9x h GLN 6519Ca 0.24 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1a9x h GLN 6519Cb 0.24 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.12 1a9x h GLN 6519CO -0.23 -0.28 0.00 0.66 -0.67 0.00 0.00 178.83 178.31 1a9x n TYR 6520N -4.11 0.00 -3.50 2.96 4.01 -0.52 -4.85 117.16 111.15 1a9x n TYR 6520Ca -0.05 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.50 1a9x n TYR 6520Cb 0.23 -0.16 0.08 0.00 -0.31 0.00 0.00 39.34 39.18 1a9x n TYR 6520CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1a9x n ASP 6521N -1.16 -2.52 -4.18 7.72 2.03 0.88 -4.95 116.55 114.37 1a9x n ASP 6521Ca 0.11 -0.64 -0.39 0.00 0.52 0.00 0.00 54.79 54.39 1a9x n ASP 6521Cb 0.11 -4.95 -0.09 0.00 -0.72 0.00 0.00 41.12 35.47 1a9x n ASP 6521CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1a9x s LEU 6522N -6.54 5.60 0.09 -2.67 2.96 0.99 -5.03 118.68 114.08 1a9x s LEU 6522Ca 0.09 -2.18 0.04 0.00 -0.22 0.00 0.00 54.13 51.86 1a9x s LEU 6522Cb -0.04 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 1a9x s LEU 6522CO 0.74 -0.59 -0.10 -1.00 -1.32 0.00 0.00 176.35 174.08 1a9x s HIS 6523N 0.95 1.02 1.00 5.38 3.76 -1.26 -4.56 115.29 121.59 1a9x s HIS 6523Ca 0.09 -0.62 -0.13 0.00 -0.15 0.00 0.00 55.06 54.26 1a9x s HIS 6523Cb -0.23 -0.57 0.19 0.00 1.11 0.00 0.00 32.58 33.08 1a9x s HIS 6523CO -0.03 -0.01 1.11 -1.25 -0.85 0.00 0.00 174.74 173.71 1a9x s PRO 6524N -2.51 0.42 0.40 8.40 0.04 -1.26 -4.88 135.00 135.61 1a9x s PRO 6524Ca 0.02 0.38 0.07 0.00 0.04 0.00 0.00 61.00 61.52 1a9x s PRO 6524Cb -0.05 -1.75 -0.08 0.00 0.04 0.00 0.00 34.50 32.67 1a9x s PRO 6524CO 0.00 -2.71 0.01 0.14 0.04 0.00 0.00 177.00 174.48 1a9x s VAL 6525N -3.06 1.96 -0.07 -0.36 -7.23 0.63 -4.90 120.40 107.36 1a9x s VAL 6525Ca 0.66 -2.01 0.03 0.00 -1.81 0.00 0.00 61.98 58.84 1a9x s VAL 6525Cb -0.17 -2.96 0.01 0.00 0.56 0.00 0.00 36.38 33.82 1a9x s VAL 6525CO 0.56 -0.01 -0.16 -0.31 -0.31 0.00 0.00 175.10 174.87 1a9x s TYR 6526N -2.75 1.80 0.30 2.82 1.51 -1.26 -1.15 117.35 118.62 1a9x s TYR 6526Ca 0.35 -0.69 0.08 0.00 -1.01 0.00 0.00 57.07 55.81 1a9x s TYR 6526Cb 0.09 -1.26 -0.04 0.00 -0.11 0.00 0.00 41.96 40.64 1a9x s TYR 6526CO 0.18 -0.31 0.11 0.15 -1.11 0.00 0.00 175.55 174.56 1a9x s LYS 6527N 0.53 2.45 0.31 -0.62 -0.14 -1.04 0.27 119.74 121.50 1a9x s LYS 6527Ca -0.15 -1.41 0.08 0.00 -1.36 0.00 0.00 55.97 53.13 1a9x s LYS 6527Cb -0.16 -2.25 -0.04 0.00 -1.68 0.00 0.00 37.83 33.70 1a9x s LYS 6527CO 0.05 0.25 0.13 1.03 -0.76 0.00 0.00 175.35 176.05 1a9x s ARG 6528N -3.79 2.48 -0.06 1.68 0.52 -1.26 -2.11 118.95 116.40 1a9x s ARG 6528Ca 0.35 -1.40 -0.14 0.00 -0.52 0.00 0.00 55.73 54.02 1a9x s ARG 6528Cb -0.05 -2.27 -0.05 0.00 0.52 0.00 0.00 34.95 33.10 1a9x s ARG 6528CO 0.22 0.22 0.36 0.08 0.02 0.00 0.00 175.30 176.20 1a9x s VAL 6529N -2.34 5.17 0.00 3.52 1.01 -0.30 -4.95 120.40 122.51 1a9x s VAL 6529Ca 0.36 0.71 0.00 0.00 0.00 0.00 0.00 61.98 63.05 1a9x s VAL 6529Cb -0.05 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1a9x s VAL 6529CO 0.23 0.51 0.24 -0.90 0.00 0.00 0.00 175.10 175.19 1a9x n ASP 6530N 2.43 0.00 0.00 3.32 5.68 -1.26 -4.78 116.55 121.94 1a9x n ASP 6530Ca -0.13 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.16 1a9x n ASP 6530Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1a9x n ASP 6530CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1a9x n THR 6531N 0.00 0.00 -2.02 2.12 -2.24 -1.13 -4.63 114.28 106.37 1a9x n THR 6531Ca 0.00 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.83 1a9x n THR 6531Cb 0.47 0.00 0.09 0.00 -2.10 0.00 0.00 70.33 68.78 1a9x n THR 6531CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a9x n ALA 6533N -0.24 -0.73 -1.01 0.00 0.00 -0.45 -2.15 120.51 115.92 1a9x n ALA 6533Ca 0.10 0.16 -0.00 0.00 0.00 0.00 0.00 53.44 53.69 1a9x n ALA 6533Cb 0.90 -2.22 -0.00 0.00 0.00 0.00 0.00 19.45 18.12 1a9x n ALA 6533CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a9x n ALA 6534N -2.34 -0.01 0.29 0.00 0.00 -1.26 -4.90 120.51 112.30 1a9x n ALA 6534Ca -0.19 0.01 0.16 0.00 0.00 0.00 0.00 53.44 53.41 1a9x n ALA 6534Cb 0.65 -0.36 0.55 0.00 0.00 0.00 0.00 19.45 20.29 1a9x n ALA 6534CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1a9x h GLU 6535N 0.71 0.00 -4.39 0.00 4.81 -1.84 -3.43 114.58 110.44 1a9x h GLU 6535Ca -0.01 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.91 1a9x h GLU 6535Cb 0.21 0.00 -0.26 0.00 0.63 0.00 0.00 28.75 29.33 1a9x h GLU 6535CO 0.01 0.00 -0.75 -0.06 -0.73 0.00 0.00 179.01 177.49 1a9x s PHE 6536N -3.52 0.53 0.65 0.92 0.08 -1.26 -5.14 117.98 110.24 1a9x s PHE 6536Ca 0.03 -0.22 -0.15 0.00 0.12 0.00 0.00 56.93 56.71 1a9x s PHE 6536Cb 0.08 -0.33 -0.01 0.00 -0.57 0.00 0.00 43.02 42.19 1a9x s PHE 6536CO 0.55 -0.03 1.10 0.00 -0.10 0.00 0.00 175.22 176.74 1a9x s ALA 6537N -0.54 2.52 0.06 5.36 0.00 -1.26 -4.94 121.76 122.96 1a9x s ALA 6537Ca -0.02 0.50 0.03 0.00 0.00 0.00 0.00 51.96 52.47 1a9x s ALA 6537Cb -0.05 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 1a9x s ALA 6537CO -0.00 -1.19 -0.09 -0.08 0.00 0.00 0.00 175.76 174.40 1a9x s THR 6538N -2.38 0.65 -0.36 0.00 -1.32 -1.26 -4.43 115.64 106.54 1a9x s THR 6538Ca 0.66 -1.24 0.12 0.00 -1.21 0.00 0.00 61.69 60.01 1a9x s THR 6538Cb -0.19 -0.84 -0.15 0.00 -1.51 0.00 0.00 72.50 69.81 1a9x s THR 6538CO 0.41 -0.43 0.41 0.47 -2.21 0.00 0.00 174.62 173.27 1a9x n ASP 6539N 1.21 1.17 -4.76 8.08 8.00 -1.25 -4.98 116.55 124.01 1a9x n ASP 6539Ca -0.21 -0.49 -0.39 0.00 0.71 0.00 0.00 54.79 54.40 1a9x n ASP 6539Cb 0.55 1.20 -0.04 0.00 -0.02 0.00 0.00 41.12 42.81 1a9x n ASP 6539CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1a9x s THR 6540N -2.37 3.49 -0.96 -3.53 2.01 -1.26 -4.98 115.64 108.04 1a9x s THR 6540Ca 0.01 1.41 -0.01 0.00 0.31 0.00 0.00 61.69 63.41 1a9x s THR 6540Cb 0.08 -3.86 0.30 0.00 0.01 0.00 0.00 72.50 69.04 1a9x s THR 6540CO 0.49 0.27 1.38 0.00 -0.69 0.00 0.00 174.62 176.07 1a9x n ALA 6541N 0.86 5.12 -3.55 7.40 0.00 -1.26 -4.90 120.51 124.17 1a9x n ALA 6541Ca 0.00 -4.76 -0.39 0.00 0.00 0.00 0.00 53.44 48.29 1a9x n ALA 6541Cb 0.46 -1.95 -0.10 0.00 0.00 0.00 0.00 19.45 17.86 1a9x n ALA 6541CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1a9x s TYR 6542N -3.08 3.44 0.25 0.00 5.04 -1.26 0.12 117.35 121.87 1a9x s TYR 6542Ca 0.35 -1.95 0.06 0.00 -2.44 0.00 0.00 57.07 53.10 1a9x s TYR 6542Cb 0.11 -3.21 -0.05 0.00 0.35 0.00 0.00 41.96 39.16 1a9x s TYR 6542CO 0.03 -0.94 -0.07 -1.64 -1.34 0.00 0.00 175.55 171.59 1a9x s MET 6543N 1.31 1.47 0.03 4.97 -1.94 0.17 -1.15 119.30 124.16 1a9x s MET 6543Ca 0.05 -1.72 0.01 0.00 -1.71 0.00 0.00 55.69 52.32 1a9x s MET 6543Cb -0.24 -1.06 -0.02 0.00 2.01 0.00 0.00 34.83 35.51 1a9x s MET 6543CO -0.01 0.05 -0.06 1.52 -0.01 0.00 0.00 175.02 176.51 1a9x s TYR 6544N -3.06 0.52 0.30 -0.03 1.13 -0.90 -1.09 117.35 114.21 1a9x s TYR 6544Ca 0.28 -0.52 -0.16 0.00 -1.41 0.00 0.00 57.07 55.25 1a9x s TYR 6544Cb 0.03 -0.32 -0.09 0.00 -1.10 0.00 0.00 41.96 40.48 1a9x s TYR 6544CO 0.10 -0.13 0.73 -1.54 -2.51 0.00 0.00 175.55 172.20 1a9x s SER 6545N -1.57 6.83 0.01 -0.18 1.04 -1.26 -2.49 113.70 116.08 1a9x s SER 6545Ca -0.12 1.30 -0.25 0.00 0.48 0.00 0.00 55.95 57.37 1a9x s SER 6545Cb -0.10 -2.38 0.06 0.00 0.10 0.00 0.00 66.02 63.70 1a9x s SER 6545CO -0.00 -0.16 0.56 0.28 0.98 0.00 0.00 173.24 174.90 1a9x s THR 6546N -1.89 0.02 -1.15 2.02 -1.32 -0.30 -4.80 115.64 108.22 1a9x s THR 6546Ca 0.52 -0.17 -0.05 0.00 -1.21 0.00 0.00 61.69 60.79 1a9x s THR 6546Cb -0.11 -0.95 0.25 0.00 -1.51 0.00 0.00 72.50 70.18 1a9x s THR 6546CO 0.18 -0.09 1.80 -1.22 -2.21 0.00 0.00 174.62 173.08 1a9x n TYR 6547N 0.62 2.56 -2.99 9.09 4.02 -1.26 0.23 117.16 129.42 1a9x n TYR 6547Ca -0.19 -2.65 0.00 0.00 -0.01 0.00 0.00 57.90 55.05 1a9x n TYR 6547Cb 0.59 -1.48 0.00 0.00 -0.02 0.00 0.00 39.34 38.43 1a9x n TYR 6547CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1a9x n GLU 6548N 1.56 2.79 0.00 -0.72 2.13 -1.26 -4.81 120.64 120.32 1a9x n GLU 6548Ca 0.40 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.22 1a9x n GLU 6548Cb 0.31 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.02 1a9x n GLU 6548CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1a9x n GLU 6549N -0.16 0.00 -2.98 5.31 -0.58 -1.26 -4.70 120.64 116.26 1a9x n GLU 6549Ca 0.00 0.47 -0.40 0.00 -0.42 0.00 0.00 57.16 56.81 1a9x n GLU 6549Cb 0.00 -1.00 -0.04 0.00 -0.57 0.00 0.00 31.44 29.83 1a9x n GLU 6549CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1a9x s GLU 6550N -1.04 4.41 0.00 3.49 2.12 -1.26 -5.01 118.70 121.42 1a9x s GLU 6550Ca 0.00 0.96 -0.16 0.00 0.36 0.00 0.00 54.97 56.13 1a9x s GLU 6550Cb 0.00 -3.48 -0.06 0.00 0.26 0.00 0.00 34.13 30.85 1a9x s GLU 6550CO 0.00 -0.05 0.44 0.00 -0.54 0.00 0.00 175.26 175.11 1a9x n GLU 6552N 1.94 2.39 0.19 0.00 1.02 0.76 -4.73 120.64 122.22 1a9x n GLU 6552Ca -0.13 -1.94 -0.15 0.00 -0.02 0.00 0.00 57.16 54.92 1a9x n GLU 6552Cb 0.52 -1.30 -0.08 0.00 -0.02 0.00 0.00 31.44 30.56 1a9x n GLU 6552CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a9x h ALA 6553N 2.38 -0.44 -6.61 0.62 0.00 -1.91 -3.47 119.26 109.83 1a9x h ALA 6553Ca 0.00 -0.12 -0.52 0.00 0.00 0.00 0.00 54.91 54.27 1a9x h ALA 6553Cb 0.72 0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.69 1a9x h ALA 6553CO 0.00 -0.72 -0.97 0.09 0.00 0.00 0.00 179.25 177.66 1a9x n ASN 6554N -5.25 -3.88 -4.61 0.00 3.02 -1.26 -4.88 115.26 98.40 1a9x n ASN 6554Ca -0.10 -1.15 -0.38 0.00 -0.03 0.00 0.00 54.58 52.91 1a9x n ASN 6554Cb 0.21 -2.51 0.05 0.00 -0.61 0.00 0.00 39.78 36.92 1a9x n ASN 6554CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1a9x n PRO 6555N -4.61 0.93 -2.41 3.52 -0.04 -1.26 -4.97 135.00 126.16 1a9x n PRO 6555Ca -0.14 0.36 -0.33 0.00 -0.04 0.00 0.00 63.50 63.35 1a9x n PRO 6555Cb 0.60 -2.15 -0.03 0.00 -0.04 0.00 0.00 33.50 31.87 1a9x n PRO 6555CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1a9x s SER 6556N -1.20 6.47 -0.09 3.54 1.04 -1.26 -4.93 113.70 117.27 1a9x s SER 6556Ca 0.75 1.68 0.10 0.00 0.48 0.00 0.00 55.95 58.96 1a9x s SER 6556Cb -0.43 -2.52 -0.14 0.00 0.10 0.00 0.00 66.02 63.03 1a9x s SER 6556CO 0.48 -0.69 0.07 0.35 0.98 0.00 0.00 173.24 174.43 1a9x n THR 6557N -1.44 0.62 -0.28 2.02 -2.24 -1.26 -4.63 114.28 107.08 1a9x n THR 6557Ca 0.07 -0.43 0.01 0.00 -2.27 0.00 0.00 64.05 61.44 1a9x n THR 6557Cb 0.54 -0.57 0.08 0.00 -2.10 0.00 0.00 70.33 68.27 1a9x n THR 6557CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1a9x h ASP 6558N 0.00 -0.87 -1.36 3.42 3.32 -2.03 -3.45 116.42 115.46 1a9x h ASP 6558Ca -0.25 0.24 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 1a9x h ASP 6558Cb 1.49 0.53 -0.04 0.00 0.22 0.00 0.00 39.33 41.53 1a9x h ASP 6558CO 0.01 -0.27 -0.38 -0.13 -1.72 0.00 0.00 179.24 176.76 1a9x s ARG 6559N -6.18 2.43 -0.32 3.56 0.52 -1.26 -5.08 118.95 112.62 1a9x s ARG 6559Ca -0.15 -1.66 -0.15 0.00 -0.52 0.00 0.00 55.73 53.25 1a9x s ARG 6559Cb 0.21 -2.28 -0.02 0.00 0.52 0.00 0.00 34.95 33.38 1a9x s ARG 6559CO 0.74 -0.27 0.36 -1.83 0.02 0.00 0.00 175.30 174.33 1a9x s GLU 6560N -4.14 3.73 -0.02 3.54 -1.05 -1.26 -4.95 118.70 114.55 1a9x s GLU 6560Ca 0.45 -0.26 0.02 0.00 -0.15 0.00 0.00 54.97 55.03 1a9x s GLU 6560Cb -0.02 -3.75 -0.03 0.00 -0.44 0.00 0.00 34.13 29.89 1a9x s GLU 6560CO 0.26 -0.44 -0.04 0.15 0.95 0.00 0.00 175.26 176.15 1a9x s LYS 6561N 2.04 2.72 -0.16 -4.83 1.02 -1.26 0.14 119.74 119.41 1a9x s LYS 6561Ca 0.13 -0.62 0.02 0.00 0.02 0.00 0.00 55.97 55.52 1a9x s LYS 6561Cb -0.16 -2.61 0.01 0.00 -0.52 0.00 0.00 37.83 34.55 1a9x s LYS 6561CO 0.11 0.63 -0.20 0.42 -0.92 0.00 0.00 175.35 175.39 1a9x s ILE 6562N -0.98 2.13 -0.16 2.17 -1.09 -0.75 0.24 121.20 122.75 1a9x s ILE 6562Ca 0.17 -0.94 -0.12 0.00 -2.23 0.00 0.00 60.65 57.53 1a9x s ILE 6562Cb -0.11 -1.87 -0.05 0.00 -1.58 0.00 0.00 42.46 38.85 1a9x s ILE 6562CO 0.07 0.54 0.23 -0.32 -1.23 0.00 0.00 174.94 174.23 1a9x s MET 6563N 1.02 4.11 -0.14 2.79 1.75 0.16 -1.91 119.30 127.08 1a9x s MET 6563Ca -0.02 -0.02 -0.01 0.00 -1.25 0.00 0.00 55.69 54.40 1a9x s MET 6563Cb -0.14 -3.38 -0.01 0.00 2.84 0.00 0.00 34.83 34.13 1a9x s MET 6563CO -0.06 0.35 -0.12 0.08 -0.65 0.00 0.00 175.02 174.63 1a9x s VAL 6564N 0.15 3.13 -0.23 10.11 1.01 -0.45 0.03 120.40 134.15 1a9x s VAL 6564Ca 0.14 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.41 1a9x s VAL 6564Cb -0.12 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 1a9x s VAL 6564CO 0.02 0.51 0.09 -0.76 0.00 0.00 0.00 175.10 174.97 1a9x s LEU 6565N 0.48 3.73 0.00 3.92 1.43 -1.05 -1.74 118.68 125.45 1a9x s LEU 6565Ca -0.08 -0.03 -0.03 0.00 -1.03 0.00 0.00 54.13 52.95 1a9x s LEU 6565Cb -0.16 -1.98 0.04 0.00 0.03 0.00 0.00 46.19 44.13 1a9x s LEU 6565CO 0.04 0.06 0.27 0.61 0.23 0.00 0.00 176.35 177.55 1a9x n GLY 6566N 4.33 -1.15 0.08 -3.19 0.00 -0.08 -3.54 105.19 101.64 1a9x n GLY 6566Ca -0.16 -1.69 0.10 0.00 0.00 0.00 0.00 46.02 44.27 1a9x n GLY 6566CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 6567N 3.26 -0.75 4.17 -0.02 0.00 -1.24 -4.30 105.19 106.31 1a9x n GLY 6567Ca 0.03 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1a9x n GLY 6567CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 6568N 1.46 -1.57 3.62 -0.02 0.00 -1.26 -4.62 105.19 102.80 1a9x n GLY 6568Ca 0.05 -1.58 -0.39 0.00 0.00 0.00 0.00 46.02 44.10 1a9x n GLY 6568CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a9x n PRO 6569N 0.00 1.06 -2.42 1.61 -0.04 -1.26 -4.48 135.00 129.47 1a9x n PRO 6569Ca 0.00 0.40 -0.33 0.00 -0.04 0.00 0.00 63.50 63.53 1a9x n PRO 6569Cb 0.00 -2.17 -0.03 0.00 -0.04 0.00 0.00 33.50 31.26 1a9x n PRO 6569CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1a9x s ASN 6570N -1.10 6.41 0.10 3.54 -0.87 -1.26 -4.88 114.94 116.87 1a9x s ASN 6570Ca 0.72 1.74 -0.18 0.00 -1.57 0.00 0.00 52.86 53.57 1a9x s ASN 6570Cb -0.44 -2.53 0.04 0.00 -0.02 0.00 0.00 41.25 38.29 1a9x s ASN 6570CO 0.50 -0.73 0.42 -0.13 -2.57 0.00 0.00 177.10 174.59 1a9x s ARG 6571N -3.72 1.03 0.19 -0.60 3.00 -1.20 -3.69 118.95 113.98 1a9x s ARG 6571Ca 0.63 -0.56 -0.33 0.00 0.00 0.00 0.00 55.73 55.47 1a9x s ARG 6571Cb -0.13 0.46 -0.13 0.00 0.00 0.00 0.00 34.95 35.15 1a9x s ARG 6571CO 0.27 -0.39 1.64 -0.89 0.00 0.00 0.00 175.30 175.92 1a9x n ILE 6572N 0.03 0.11 0.00 1.52 5.41 -1.26 -0.50 119.36 124.67 1a9x n ILE 6572Ca -0.17 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.55 1a9x n ILE 6572Cb 0.62 -1.76 0.00 0.00 -0.71 0.00 0.00 39.64 37.79 1a9x n ILE 6572CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1a9x n GLY 6573N 3.52 3.33 2.29 7.39 0.00 -1.26 -4.88 105.19 115.58 1a9x n GLY 6573Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 1a9x n GLY 6573CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1a9x n GLN 6574N -1.53 1.26 0.00 1.61 1.13 0.34 -5.00 117.38 115.19 1a9x n GLN 6574Ca 0.00 -3.62 0.00 0.00 -1.94 0.00 0.00 57.00 51.44 1a9x n GLN 6574Cb 0.00 -1.59 0.00 0.00 0.11 0.00 0.00 30.24 28.76 1a9x n GLN 6574CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1a9x n GLY 6575N 0.86 1.40 0.31 1.08 0.00 -1.24 -3.22 105.19 104.37 1a9x n GLY 6575Ca 0.24 -1.81 0.17 0.00 0.00 0.00 0.00 46.02 44.62 1a9x n GLY 6575CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1a9x h ILE 6576N 0.00 0.35 -0.83 -0.61 2.10 -1.93 -2.17 117.51 114.42 1a9x h ILE 6576Ca 0.00 -0.07 0.02 0.00 1.08 0.00 0.00 64.86 65.88 1a9x h ILE 6576Cb 0.00 1.05 -0.04 0.00 -1.09 0.00 0.00 36.82 36.74 1a9x h ILE 6576CO 0.00 0.01 0.55 -0.33 -1.08 0.00 0.00 178.15 177.30 1a9x h GLU 6577N 0.00 1.06 -0.23 2.19 3.07 -1.90 0.24 114.58 119.01 1a9x h GLU 6577Ca -0.00 -0.06 -0.10 0.00 -0.50 0.00 0.00 59.36 58.70 1a9x h GLU 6577Cb 0.05 -0.24 -0.00 0.00 -0.84 0.00 0.00 28.75 27.72 1a9x h GLU 6577CO 0.00 0.70 -0.24 0.74 -1.40 0.00 0.00 179.01 178.81 1a9x h PHE 6578N 1.09 0.68 -1.00 4.33 0.04 -1.65 -2.99 116.94 117.43 1a9x h PHE 6578Ca 0.31 -0.21 0.02 0.00 2.80 0.00 0.00 57.97 60.89 1a9x h PHE 6578Cb -0.07 -0.14 -0.05 0.00 2.20 0.00 0.00 35.95 37.89 1a9x h PHE 6578CO -0.00 0.91 0.66 0.22 -0.60 0.00 0.00 178.31 179.50 1a9x h ASP 6579N 0.26 1.14 -0.75 2.17 3.58 -1.46 -0.51 116.42 120.84 1a9x h ASP 6579Ca 0.03 -0.02 0.02 0.00 0.42 0.00 0.00 57.03 57.48 1a9x h ASP 6579Cb 0.80 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 41.53 1a9x h ASP 6579CO 0.06 0.81 0.49 0.22 -2.88 0.00 0.00 179.24 177.94 1a9x h TYR 6580N 1.33 0.92 -0.20 0.28 5.03 -0.49 -1.50 116.97 122.35 1a9x h TYR 6580Ca 0.37 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.70 1a9x h TYR 6580Cb -0.12 -0.31 -0.01 0.00 1.55 0.00 0.00 36.73 37.84 1a9x h TYR 6580CO -0.00 0.56 0.09 0.00 -1.32 0.00 0.00 178.16 177.49 1a9x h VAL 6583N 0.76 0.36 -0.92 0.00 2.07 -0.95 -2.22 116.25 115.36 1a9x h VAL 6583Ca 0.40 0.00 0.17 0.00 0.82 0.00 0.00 66.70 68.10 1a9x h VAL 6583Cb 0.40 0.36 -0.08 0.00 -1.52 0.00 0.00 31.29 30.45 1a9x h VAL 6583CO -0.26 0.00 0.59 0.45 0.02 0.00 0.00 177.57 178.37 1a9x h HIS 6584N -0.82 0.76 -0.42 1.57 -0.00 -0.93 0.56 115.15 115.87 1a9x h HIS 6584Ca -0.07 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.28 1a9x h HIS 6584Cb 0.65 -0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 27.81 1a9x h HIS 6584CO -0.07 0.23 0.09 0.00 -0.00 0.00 0.00 177.93 178.19 1a9x h ALA 6585N 1.61 0.55 0.33 2.45 0.00 -0.81 -1.52 119.26 121.87 1a9x h ALA 6585Ca 0.48 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1a9x h ALA 6585Cb 0.91 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1a9x h ALA 6585CO -0.23 0.24 -0.16 1.03 0.00 0.00 0.00 179.25 180.13 1a9x h SER 6586N 0.54 -0.38 -0.53 0.00 0.87 0.23 -2.02 113.55 112.27 1a9x h SER 6586Ca 0.13 -0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.75 1a9x h SER 6586Cb 0.33 0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 62.33 1a9x h SER 6586CO 0.00 -0.25 0.21 -0.07 -0.53 0.00 0.00 176.83 176.19 1a9x h LEU 6587N -0.48 0.24 -0.07 2.23 3.38 -0.00 -1.94 115.31 118.66 1a9x h LEU 6587Ca -0.05 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1a9x h LEU 6587Cb 0.36 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1a9x h LEU 6587CO 0.08 0.16 -0.02 0.00 0.09 0.00 0.00 178.44 178.75 1a9x h ALA 6588N 1.34 0.10 -0.21 1.53 0.00 -1.18 -1.70 119.26 119.14 1a9x h ALA 6588Ca 0.25 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1a9x h ALA 6588Cb 0.25 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1a9x h ALA 6588CO -0.24 -0.19 -0.15 -0.07 0.00 0.00 0.00 179.25 178.61 1a9x h LEU 6589N -0.19 0.34 -0.39 0.00 3.38 -1.34 0.18 115.31 117.29 1a9x h LEU 6589Ca 0.02 -0.08 -0.18 0.00 0.09 0.00 0.00 57.88 57.73 1a9x h LEU 6589Cb 0.41 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1a9x h LEU 6589CO 0.01 0.52 -0.54 -0.09 0.09 0.00 0.00 178.44 178.43 1a9x h ARG 6590N 0.33 0.77 0.00 1.13 2.43 -1.34 0.24 114.38 117.94 1a9x h ARG 6590Ca 0.06 -0.48 -0.05 0.00 -0.81 0.00 0.00 59.98 58.70 1a9x h ARG 6590Cb 0.46 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1a9x h ARG 6590CO 0.03 1.11 -0.24 1.49 -1.51 0.00 0.00 179.97 180.85 1a9x h GLU 6591N 0.59 0.00 0.00 0.20 4.57 -0.67 -0.94 114.58 118.33 1a9x h GLU 6591Ca 0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1a9x h GLU 6591Cb 1.12 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 1a9x h GLU 6591CO 0.11 0.24 -0.27 -0.25 -1.18 0.00 0.00 179.01 177.66 1a9x n ASP 6592N -3.59 0.55 0.00 1.04 8.00 0.56 -4.94 116.55 118.16 1a9x n ASP 6592Ca -0.01 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.77 1a9x n ASP 6592Cb 0.38 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 1a9x n ASP 6592CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a9x n GLY 6593N 1.39 0.97 3.91 0.44 0.00 -0.36 -5.06 105.19 106.49 1a9x n GLY 6593Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 1a9x n GLY 6593CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a9x s TYR 6594N -2.00 3.38 -0.48 1.61 1.51 0.70 -4.82 117.35 117.24 1a9x s TYR 6594Ca 0.00 0.76 -0.21 0.00 -1.01 0.00 0.00 57.07 56.61 1a9x s TYR 6594Cb 0.00 -2.61 0.04 0.00 -0.11 0.00 0.00 41.96 39.28 1a9x s TYR 6594CO 0.00 -0.66 0.68 -2.00 -1.11 0.00 0.00 175.55 172.46 1a9x s GLU 6595N -4.94 3.22 0.01 -0.62 2.12 0.12 -4.29 118.70 114.32 1a9x s GLU 6595Ca 0.52 -0.57 -0.24 0.00 0.36 0.00 0.00 54.97 55.04 1a9x s GLU 6595Cb -0.10 -4.03 -0.05 0.00 0.26 0.00 0.00 34.13 30.21 1a9x s GLU 6595CO 0.46 -1.17 0.72 0.95 -0.54 0.00 0.00 175.26 175.68 1a9x s THR 6596N 2.91 4.85 -0.20 -1.70 -4.23 -1.26 -1.82 115.64 114.19 1a9x s THR 6596Ca 0.21 1.52 0.01 0.00 -1.18 0.00 0.00 61.69 62.25 1a9x s THR 6596Cb -0.16 -4.06 0.04 0.00 1.34 0.00 0.00 72.50 69.65 1a9x s THR 6596CO 0.16 0.34 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.82 1a9x s ILE 6597N 0.14 1.86 -0.02 2.99 1.01 -0.80 -0.88 121.20 125.50 1a9x s ILE 6597Ca 0.37 -1.10 -0.07 0.00 0.00 0.00 0.00 60.65 59.85 1a9x s ILE 6597Cb -0.19 -1.86 -0.05 0.00 0.01 0.00 0.00 42.46 40.37 1a9x s ILE 6597CO 0.21 0.25 0.24 -0.32 0.00 0.00 0.00 174.94 175.32 1a9x s MET 6598N 1.31 3.57 -0.28 2.79 1.75 -0.10 -1.34 119.30 127.00 1a9x s MET 6598Ca -0.01 -0.07 0.00 0.00 -1.25 0.00 0.00 55.69 54.37 1a9x s MET 6598Cb -0.16 -3.12 0.08 0.00 2.84 0.00 0.00 34.83 34.48 1a9x s MET 6598CO -0.09 0.68 0.04 0.08 -0.65 0.00 0.00 175.02 175.08 1a9x s VAL 6599N -1.22 1.22 0.15 10.11 1.01 -0.71 -1.50 120.40 129.46 1a9x s VAL 6599Ca 0.24 -1.38 -0.19 0.00 0.00 0.00 0.00 61.98 60.66 1a9x s VAL 6599Cb -0.13 -1.77 0.05 0.00 0.00 0.00 0.00 36.38 34.52 1a9x s VAL 6599CO 0.13 -0.44 0.50 0.21 0.00 0.00 0.00 175.10 175.51 1a9x s ASN 6600N 1.48 -0.36 -0.01 3.32 2.47 -1.16 -0.90 114.94 119.77 1a9x s ASN 6600Ca 0.04 -0.24 0.01 0.00 0.42 0.00 0.00 52.86 53.10 1a9x s ASN 6600Cb -0.18 0.55 0.02 0.00 -1.45 0.00 0.00 41.25 40.19 1a9x s ASN 6600CO -0.15 -0.94 0.98 0.00 -3.72 0.00 0.00 177.10 173.27 1a9x s ASN 6602N -1.08 6.60 0.22 0.00 3.84 -1.26 -1.48 114.94 121.77 1a9x s ASN 6602Ca 0.02 0.66 0.26 0.00 0.21 0.00 0.00 52.86 54.01 1a9x s ASN 6602Cb 0.02 -2.36 0.81 0.00 -0.55 0.00 0.00 41.25 39.17 1a9x s ASN 6602CO 0.00 -0.46 1.77 -0.81 -2.79 0.00 0.00 177.10 174.81 1a9x n PRO 6603N 5.88 0.26 -0.02 0.43 -0.04 -1.26 -3.97 135.00 136.29 1a9x n PRO 6603Ca 0.01 0.23 0.13 0.00 -0.04 0.00 0.00 63.50 63.83 1a9x n PRO 6603Cb 0.49 -1.82 0.60 0.00 -0.04 0.00 0.00 33.50 32.73 1a9x n PRO 6603CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1a9x n GLU 6604N -2.28 1.43 -4.15 0.54 1.02 -1.26 -4.65 120.64 111.29 1a9x n GLU 6604Ca 0.05 -0.63 -0.23 0.00 -0.02 0.00 0.00 57.16 56.33 1a9x n GLU 6604Cb 0.42 -1.44 -0.07 0.00 -0.02 0.00 0.00 31.44 30.33 1a9x n GLU 6604CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1a9x s THR 6605N -1.95 2.96 0.35 2.62 -4.23 -1.25 -2.54 115.64 111.59 1a9x s THR 6605Ca 0.38 -1.75 0.07 0.00 -1.18 0.00 0.00 61.69 59.21 1a9x s THR 6605Cb 0.19 -2.94 0.13 0.00 1.34 0.00 0.00 72.50 71.22 1a9x s THR 6605CO 0.31 -0.19 1.85 0.58 -0.54 0.00 0.00 174.62 176.63 1a9x h VAL 6606N 1.61 1.21 -0.17 2.29 2.07 -1.91 -2.61 116.25 118.74 1a9x h VAL 6606Ca -0.44 -0.96 0.05 0.00 0.82 0.00 0.00 66.70 66.18 1a9x h VAL 6606Cb 1.25 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 1a9x h VAL 6606CO 0.64 0.30 0.13 0.77 0.02 0.00 0.00 177.57 179.43 1a9x h SER 6607N 0.30 0.00 -0.65 0.57 4.64 -1.94 -1.07 113.55 115.40 1a9x h SER 6607Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1a9x h SER 6607Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1a9x h SER 6607CO 0.03 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.34 1a9x n THR 6608N -4.27 1.59 -2.85 2.95 -2.24 -0.98 -4.85 114.28 103.64 1a9x n THR 6608Ca 0.01 -1.10 -0.42 0.00 -2.27 0.00 0.00 64.05 60.28 1a9x n THR 6608Cb 0.26 0.18 -0.04 0.00 -2.10 0.00 0.00 70.33 68.64 1a9x n THR 6608CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1a9x s ASP 6609N -0.90 7.03 0.38 3.42 -1.08 -0.41 -4.94 116.67 120.17 1a9x s ASP 6609Ca 0.49 1.26 0.15 0.00 -0.52 0.00 0.00 52.55 53.93 1a9x s ASP 6609Cb 0.30 -2.48 1.00 0.00 -1.46 0.00 0.00 42.92 40.28 1a9x s ASP 6609CO 0.26 -0.40 1.80 0.10 0.52 0.00 0.00 175.17 177.44 1a9x h TYR 6610N 7.25 0.74 -0.61 -5.34 -0.00 -1.88 0.01 116.97 117.14 1a9x h TYR 6610Ca -0.30 0.02 0.10 0.00 0.00 0.00 0.00 58.73 58.55 1a9x h TYR 6610Cb 1.14 -0.22 -0.04 0.00 0.00 0.00 0.00 36.73 37.61 1a9x h TYR 6610CO 0.71 0.13 0.41 -0.44 -0.00 0.00 0.00 178.16 178.97 1a9x h ASP 6611N 0.50 0.38 -0.43 0.10 3.32 -1.92 -3.16 116.42 115.21 1a9x h ASP 6611Ca 0.56 0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.67 1a9x h ASP 6611Cb 1.24 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 1a9x h ASP 6611CO -0.29 0.23 0.29 0.74 -1.72 0.00 0.00 179.24 178.49 1a9x h THR 6612N 0.42 0.96 -4.88 0.35 2.02 -1.23 -3.46 112.91 107.09 1a9x h THR 6612Ca 0.28 -0.12 -0.48 0.00 0.77 0.00 0.00 66.41 66.87 1a9x h THR 6612Cb 0.55 0.59 -0.13 0.00 -1.74 0.00 0.00 68.15 67.42 1a9x h THR 6612CO -0.08 0.06 -0.47 -0.94 0.37 0.00 0.00 175.52 174.47 1a9x s SER 6613N -6.52 1.74 -0.04 4.18 1.04 -1.20 -4.34 113.70 108.57 1a9x s SER 6613Ca -0.07 -1.77 -0.25 0.00 0.48 0.00 0.00 55.95 54.33 1a9x s SER 6613Cb 0.18 0.57 -0.21 0.00 0.10 0.00 0.00 66.02 66.67 1a9x s SER 6613CO 0.73 -1.09 1.14 0.44 0.98 0.00 0.00 173.24 175.44 1a9x h ASP 6614N 2.10 0.10 -4.10 7.02 3.32 -1.51 -3.45 116.42 119.91 1a9x h ASP 6614Ca -0.24 -0.63 -0.48 0.00 0.02 0.00 0.00 57.03 55.69 1a9x h ASP 6614Cb 1.23 -0.03 -0.30 0.00 0.22 0.00 0.00 39.33 40.45 1a9x h ASP 6614CO 0.35 0.72 -0.81 -0.13 -1.72 0.00 0.00 179.24 177.65 1a9x s ARG 6615N -3.68 1.16 -0.13 3.56 0.52 -0.06 -4.45 118.95 115.86 1a9x s ARG 6615Ca -0.16 -0.47 0.02 0.00 -0.52 0.00 0.00 55.73 54.59 1a9x s ARG 6615Cb 0.01 -1.10 0.01 0.00 0.52 0.00 0.00 34.95 34.40 1a9x s ARG 6615CO 0.70 0.26 -0.19 -1.17 0.02 0.00 0.00 175.30 174.92 1a9x s LEU 6616N -0.20 1.94 -0.36 2.53 2.96 0.12 -0.92 118.68 124.75 1a9x s LEU 6616Ca 0.03 -0.54 -0.04 0.00 -0.22 0.00 0.00 54.13 53.36 1a9x s LEU 6616Cb -0.06 -1.31 0.07 0.00 0.50 0.00 0.00 46.19 45.39 1a9x s LEU 6616CO -0.00 0.04 0.13 -0.31 -1.32 0.00 0.00 176.35 174.89 1a9x s TYR 6617N 0.98 3.39 -1.26 5.38 2.02 -0.56 0.44 117.35 127.74 1a9x s TYR 6617Ca -0.05 -1.94 -0.19 0.00 -0.37 0.00 0.00 57.07 54.52 1a9x s TYR 6617Cb -0.15 -2.68 0.05 0.00 -0.40 0.00 0.00 41.96 38.79 1a9x s TYR 6617CO -0.04 -0.86 1.73 0.12 -1.57 0.00 0.00 175.55 174.94 1a9x s PHE 6618N 1.26 2.68 0.11 2.71 2.19 -0.25 -3.00 117.98 123.68 1a9x s PHE 6618Ca 0.02 -1.38 0.02 0.00 0.33 0.00 0.00 56.93 55.92 1a9x s PHE 6618Cb -0.21 -4.69 -0.04 0.00 -1.31 0.00 0.00 43.02 36.77 1a9x s PHE 6618CO -0.01 -1.77 -0.07 -1.21 1.83 0.00 0.00 175.22 173.99 1a9x s GLU 6619N 4.50 0.89 0.22 10.12 0.41 -1.05 -4.64 118.70 129.15 1a9x s GLU 6619Ca 0.55 -1.37 -0.31 0.00 -0.41 0.00 0.00 54.97 53.43 1a9x s GLU 6619Cb 0.03 -0.30 -0.10 0.00 -1.78 0.00 0.00 34.13 31.98 1a9x s GLU 6619CO 0.07 -0.00 1.53 -2.14 -0.49 0.00 0.00 175.26 174.23 1a9x s PRO 6620N -3.82 4.22 -1.43 0.39 0.02 -1.26 -3.44 135.00 129.68 1a9x s PRO 6620Ca 0.13 2.38 -0.14 0.00 0.02 0.00 0.00 61.00 63.39 1a9x s PRO 6620Cb 0.05 -3.11 0.05 0.00 0.02 0.00 0.00 34.50 31.50 1a9x s PRO 6620CO -0.03 -0.54 2.14 0.28 -0.33 0.00 0.00 177.00 178.51 1a9x n VAL 6621N 3.06 3.56 -4.51 3.83 0.31 -1.26 -4.59 118.33 118.74 1a9x n VAL 6621Ca 0.10 -3.24 -0.27 0.00 -0.01 0.00 0.00 64.34 60.92 1a9x n VAL 6621Cb 0.39 -2.56 -0.10 0.00 -0.91 0.00 0.00 33.84 30.66 1a9x n VAL 6621CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1a9x s THR 6622N 3.21 2.04 0.12 2.52 -4.23 -1.26 -4.84 115.64 113.20 1a9x s THR 6622Ca 0.48 -1.93 -0.15 0.00 -1.18 0.00 0.00 61.69 58.91 1a9x s THR 6622Cb 0.12 -2.97 -0.02 0.00 1.34 0.00 0.00 72.50 70.97 1a9x s THR 6622CO -0.06 0.00 1.58 0.25 -0.54 0.00 0.00 174.62 175.85 1a9x h LEU 6623N 1.67 0.64 -0.37 4.79 5.85 -1.97 -0.93 115.31 125.00 1a9x h LEU 6623Ca -0.44 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 57.99 1a9x h LEU 6623Cb 1.25 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 1a9x h LEU 6623CO 0.78 0.77 0.22 -0.08 -0.34 0.00 0.00 178.44 179.79 1a9x h GLU 6624N 0.49 0.50 -0.47 1.25 4.81 -1.95 -0.52 114.58 118.69 1a9x h GLU 6624Ca 0.11 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.20 1a9x h GLU 6624Cb 0.42 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1a9x h GLU 6624CO 0.01 0.38 -0.09 -0.44 -0.73 0.00 0.00 179.01 178.15 1a9x h ASP 6625N 0.48 0.89 -0.30 1.04 3.32 -1.79 -2.72 116.42 117.33 1a9x h ASP 6625Ca 0.13 -0.35 -0.00 0.00 0.02 0.00 0.00 57.03 56.83 1a9x h ASP 6625Cb 0.01 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 1a9x h ASP 6625CO -0.02 1.03 0.17 0.58 -1.72 0.00 0.00 179.24 179.27 1a9x h VAL 6626N 0.73 1.12 -0.89 -1.35 2.07 -0.89 -2.85 116.25 114.20 1a9x h VAL 6626Ca 0.12 -0.32 0.05 0.00 0.82 0.00 0.00 66.70 67.37 1a9x h VAL 6626Cb 0.63 0.80 -0.06 0.00 -1.52 0.00 0.00 31.29 31.13 1a9x h VAL 6626CO 0.04 0.12 0.57 -0.07 0.02 0.00 0.00 177.57 178.25 1a9x h LEU 6627N 0.37 0.92 -1.74 2.57 3.38 -1.07 -0.66 115.31 119.08 1a9x h LEU 6627Ca 0.11 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.14 1a9x h LEU 6627Cb 0.05 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1a9x h LEU 6627CO -0.02 0.62 0.28 -0.33 0.09 0.00 0.00 178.44 179.08 1a9x h GLU 6628N 1.07 0.32 0.04 1.13 4.39 -1.24 -1.54 114.58 118.74 1a9x h GLU 6628Ca 0.37 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.95 1a9x h GLU 6628Cb 0.07 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1a9x h GLU 6628CO -0.14 0.21 -0.43 0.82 -1.16 0.00 0.00 179.01 178.31 1a9x h ILE 6629N 0.32 1.56 -0.79 3.13 2.04 -1.17 -3.22 117.51 119.38 1a9x h ILE 6629Ca 0.18 -2.20 0.13 0.00 1.00 0.00 0.00 64.86 63.98 1a9x h ILE 6629Cb 0.32 2.96 -0.09 0.00 -0.74 0.00 0.00 36.82 39.27 1a9x h ILE 6629CO -0.04 0.61 0.39 0.58 0.00 0.00 0.00 178.15 179.68 1a9x h VAL 6630N -0.48 0.74 -0.54 1.67 2.07 -0.66 0.38 116.25 119.44 1a9x h VAL 6630Ca -0.06 -0.20 0.10 0.00 0.82 0.00 0.00 66.70 67.36 1a9x h VAL 6630Cb 1.23 0.11 -0.08 0.00 -1.52 0.00 0.00 31.29 31.03 1a9x h VAL 6630CO 0.08 0.11 0.07 -0.09 0.02 0.00 0.00 177.57 177.76 1a9x h ARG 6631N 0.58 0.19 0.00 1.57 2.43 -1.38 3.44 114.38 121.21 1a9x h ARG 6631Ca 0.42 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.47 1a9x h ARG 6631Cb 0.57 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 1a9x h ARG 6631CO -0.35 0.13 -1.42 0.44 -1.51 0.00 0.00 179.97 177.26 1a9x n ILE 6632N -5.17 0.91 0.01 1.20 -5.35 -0.73 -4.29 119.36 105.94 1a9x n ILE 6632Ca 0.07 -0.64 -0.13 0.00 -0.27 0.00 0.00 62.75 61.78 1a9x n ILE 6632Cb 0.29 -0.53 -0.14 0.00 -1.74 0.00 0.00 39.64 37.52 1a9x n ILE 6632CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1a9x h GLU 6633N 0.00 0.10 -6.69 6.28 4.39 0.56 -3.46 114.58 115.77 1a9x h GLU 6633Ca -0.12 -0.18 -0.54 0.00 0.34 0.00 0.00 59.36 58.86 1a9x h GLU 6633Cb 1.40 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 30.07 1a9x h GLU 6633CO 0.03 0.81 -0.96 1.63 -1.16 0.00 0.00 179.01 179.36 1a9x n LYS 6634N -3.24 -1.39 -0.61 2.33 5.02 1.14 -4.90 118.16 116.51 1a9x n LYS 6634Ca -0.18 0.25 -0.30 0.00 -2.02 0.00 0.00 58.31 56.05 1a9x n LYS 6634Cb 1.04 -3.63 0.20 0.00 -0.02 0.00 0.00 35.03 32.62 1a9x n LYS 6634CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1a9x n PRO 6635N -4.59 -1.36 -0.02 1.97 -0.04 -1.26 -4.95 135.00 124.75 1a9x n PRO 6635Ca -0.20 -0.35 -0.15 0.00 -0.04 0.00 0.00 63.50 62.75 1a9x n PRO 6635Cb 0.63 -2.18 -0.11 0.00 -0.04 0.00 0.00 33.50 31.80 1a9x n PRO 6635CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1a9x h LYS 6636N -2.20 0.25 -3.93 0.54 3.64 -0.56 -3.46 116.57 110.85 1a9x h LYS 6636Ca -0.51 -0.24 -0.10 0.00 -1.27 0.00 0.00 60.65 58.52 1a9x h LYS 6636Cb 1.30 0.06 -0.14 0.00 -0.41 0.00 0.00 32.23 33.05 1a9x h LYS 6636CO 0.43 0.94 -0.41 0.20 -2.27 0.00 0.00 179.45 178.34 1a9x s GLY 6637N -3.90 0.32 -0.12 5.01 0.00 -0.98 -4.81 107.32 102.84 1a9x s GLY 6637Ca -0.15 -0.83 -0.03 0.00 0.00 0.00 0.00 44.72 43.71 1a9x s GLY 6637CO 0.76 -0.91 0.04 0.14 0.00 0.00 0.00 173.10 173.13 1a9x s VAL 6638N -3.91 0.23 -0.28 1.40 1.01 -0.82 0.36 120.40 118.39 1a9x s VAL 6638Ca 0.10 -0.08 -0.19 0.00 0.00 0.00 0.00 61.98 61.81 1a9x s VAL 6638Cb 0.05 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.79 1a9x s VAL 6638CO -0.07 -0.01 0.58 -0.63 0.00 0.00 0.00 175.10 174.98 1a9x s ILE 6639N 2.01 5.00 -0.75 2.22 1.01 0.10 -1.55 121.20 129.25 1a9x s ILE 6639Ca 0.03 0.90 0.06 0.00 0.00 0.00 0.00 60.65 61.64 1a9x s ILE 6639Cb -0.14 -3.92 0.05 0.00 0.01 0.00 0.00 42.46 38.45 1a9x s ILE 6639CO -0.06 -0.03 0.68 1.33 0.00 0.00 0.00 174.94 176.86 1a9x n VAL 6640N 5.27 0.00 1.22 2.92 0.24 -1.26 -2.54 118.33 124.17 1a9x n VAL 6640Ca -0.02 -0.50 0.13 0.00 -2.04 0.00 0.00 64.34 61.91 1a9x n VAL 6640Cb 0.49 1.12 0.33 0.00 -1.47 0.00 0.00 33.84 34.32 1a9x n VAL 6640CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1a9x n GLN 6641N 0.32 0.89 -0.05 7.34 3.00 -1.26 -3.57 117.38 124.05 1a9x n GLN 6641Ca 0.03 -0.56 -0.10 0.00 -0.01 0.00 0.00 57.00 56.37 1a9x n GLN 6641Cb 0.15 -1.49 -0.15 0.00 0.00 0.00 0.00 30.24 28.76 1a9x n GLN 6641CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1a9x n TYR 6642N -0.57 0.70 1.91 1.08 4.02 -1.26 -2.58 117.16 120.47 1a9x n TYR 6642Ca 0.12 0.25 0.10 0.00 -0.01 0.00 0.00 57.90 58.36 1a9x n TYR 6642Cb 0.36 -1.13 0.61 0.00 -0.02 0.00 0.00 39.34 39.16 1a9x n TYR 6642CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1a9x n GLY 6643N 1.65 -0.96 4.25 2.72 0.00 -1.23 -4.53 105.19 107.10 1a9x n GLY 6643Ca -0.23 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1a9x n GLY 6643CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 6644N 0.76 -1.16 0.34 -0.02 0.00 -1.26 -3.67 105.19 100.17 1a9x n GLY 6644Ca 0.15 -1.52 0.03 0.00 0.00 0.00 0.00 46.02 44.69 1a9x n GLY 6644CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1a9x h GLN 6645N 0.00 0.94 0.10 1.61 5.75 -1.94 -2.82 115.11 118.75 1a9x h GLN 6645Ca 0.00 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 1a9x h GLN 6645Cb 0.00 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.31 1a9x h GLN 6645CO 0.00 0.63 -0.28 1.15 -2.65 0.00 0.00 178.83 177.67 1a9x h THR 6646N 0.97 0.00 0.00 2.39 2.02 -1.82 -2.58 112.91 113.90 1a9x h THR 6646Ca 0.42 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.53 1a9x h THR 6646Cb 0.29 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 1a9x h THR 6646CO -0.21 0.00 -0.34 1.55 0.37 0.00 0.00 175.52 176.88 1a9x h PRO 6647N -0.43 0.00 -0.69 6.66 0.13 -1.75 -3.08 132.00 132.84 1a9x h PRO 6647Ca -0.01 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.21 1a9x h PRO 6647Cb 0.42 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.48 1a9x h PRO 6647CO -0.14 0.34 0.35 1.25 -0.23 0.00 0.00 178.00 179.58 1a9x h LEU 6648N 0.00 0.46 -0.64 1.56 5.85 -1.21 -0.58 115.31 120.75 1a9x h LEU 6648Ca -0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1a9x h LEU 6648Cb 0.65 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.66 1a9x h LEU 6648CO 0.04 0.27 0.00 0.29 -0.34 0.00 0.00 178.44 178.71 1a9x n LYS 6649N -4.86 0.21 0.03 1.25 5.02 -1.00 -2.87 118.16 115.94 1a9x n LYS 6649Ca 0.10 0.40 0.11 0.00 -2.02 0.00 0.00 58.31 56.91 1a9x n LYS 6649Cb 0.25 -1.88 0.09 0.00 -0.02 0.00 0.00 35.03 33.47 1a9x n LYS 6649CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1a9x n LEU 6650N -2.27 0.63 -0.07 -0.35 4.77 -0.25 -4.61 117.00 114.84 1a9x n LEU 6650Ca 0.02 0.01 -0.11 0.00 -0.03 0.00 0.00 56.01 55.90 1a9x n LEU 6650Cb 0.26 -0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 41.15 1a9x n LEU 6650CO 0.21 0.05 0.57 0.00 -1.33 0.00 0.00 177.39 176.89 1a9x h ALA 6651N 2.65 -0.55 -0.66 -1.18 0.00 -1.35 0.35 119.26 118.52 1a9x h ALA 6651Ca 0.00 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1a9x h ALA 6651Cb 0.68 0.88 -0.04 0.00 0.00 0.00 0.00 17.79 19.31 1a9x h ALA 6651CO 0.00 -0.92 0.42 0.00 0.00 0.00 0.00 179.25 178.75 1a9x h ARG 6652N -0.41 0.82 -0.56 0.00 3.08 -1.82 -0.18 114.38 115.30 1a9x h ARG 6652Ca 0.10 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1a9x h ARG 6652Cb 0.61 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 1a9x h ARG 6652CO -0.50 0.55 0.31 0.00 -1.07 0.00 0.00 179.97 179.25 1a9x h ALA 6653N 1.26 0.72 0.63 0.04 0.00 -1.79 0.38 119.26 120.50 1a9x h ALA 6653Ca 0.25 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1a9x h ALA 6653Cb -0.04 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.53 1a9x h ALA 6653CO -0.08 0.24 -0.30 -0.07 0.00 0.00 0.00 179.25 179.04 1a9x h LEU 6654N 0.76 -0.71 -0.81 0.00 3.38 0.24 -1.62 115.31 116.55 1a9x h LEU 6654Ca 0.20 -0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.26 1a9x h LEU 6654Cb 0.04 0.18 -0.08 0.00 0.09 0.00 0.00 40.66 40.90 1a9x h LEU 6654CO -0.03 -0.40 0.44 -0.08 0.09 0.00 0.00 178.44 178.45 1a9x h GLU 6655N -1.01 0.67 0.00 1.13 4.81 -0.95 0.61 114.58 119.84 1a9x h GLU 6655Ca -0.09 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1a9x h GLU 6655Cb 0.69 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 1a9x h GLU 6655CO 0.14 0.45 -0.02 0.00 -0.73 0.00 0.00 179.01 178.85 1a9x h ALA 6656N 1.49 1.03 -0.01 2.92 0.00 -0.11 -1.48 119.26 123.10 1a9x h ALA 6656Ca 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1a9x h ALA 6656Cb 0.47 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1a9x h ALA 6656CO -0.29 0.02 -0.16 0.00 0.00 0.00 0.00 179.25 178.81 1a9x n ALA 6657N -2.11 2.88 0.00 0.00 0.00 0.20 -4.90 120.51 116.59 1a9x n ALA 6657Ca -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1a9x n ALA 6657Cb 0.20 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1a9x n ALA 6657CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a9x n GLY 6658N 1.29 1.08 3.68 0.00 0.00 -0.56 -5.08 105.19 105.60 1a9x n GLY 6658Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1a9x n GLY 6658CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a9x s VAL 6659N -2.00 4.43 -1.18 1.61 1.01 -0.63 -4.94 120.40 118.70 1a9x s VAL 6659Ca 0.00 1.73 -0.22 0.00 0.00 0.00 0.00 61.98 63.49 1a9x s VAL 6659Cb 0.00 -4.11 -0.07 0.00 0.00 0.00 0.00 36.38 32.20 1a9x s VAL 6659CO 0.00 -0.02 1.91 -2.16 0.00 0.00 0.00 175.10 174.83 1a9x s PRO 6660N 2.32 2.64 -0.16 2.72 0.04 -1.26 -4.13 135.00 137.17 1a9x s PRO 6660Ca 0.53 -1.21 -0.29 0.00 0.04 0.00 0.00 61.00 60.07 1a9x s PRO 6660Cb -0.22 -5.26 -0.02 0.00 0.04 0.00 0.00 34.50 29.04 1a9x s PRO 6660CO 0.19 -3.80 1.30 0.08 0.04 0.00 0.00 177.00 174.81 1a9x s VAL 6661N 10.35 4.21 0.53 -0.36 1.01 -1.26 -1.95 120.40 132.94 1a9x s VAL 6661Ca 0.67 1.46 0.03 0.00 0.00 0.00 0.00 61.98 64.15 1a9x s VAL 6661Cb -0.01 -3.96 0.04 0.00 0.00 0.00 0.00 36.38 32.45 1a9x s VAL 6661CO 0.12 -0.15 0.74 0.27 0.00 0.00 0.00 175.10 176.08 1a9x s ILE 6662N 3.61 2.68 0.00 2.22 -4.36 -0.60 -4.90 121.20 119.85 1a9x s ILE 6662Ca 0.56 -0.76 0.00 0.00 -0.26 0.00 0.00 60.65 60.19 1a9x s ILE 6662Cb -0.22 -2.92 0.00 0.00 1.25 0.00 0.00 42.46 40.57 1a9x s ILE 6662CO 0.16 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.95 1a9x n GLY 6663N -2.25 -0.94 3.60 6.27 0.00 -1.26 -4.62 105.19 105.98 1a9x n GLY 6663Ca 0.09 -1.14 -0.59 0.00 0.00 0.00 0.00 46.02 44.38 1a9x n GLY 6663CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1a9x n THR 6664N -0.63 0.03 -1.77 2.61 -1.04 0.15 -4.82 114.28 108.81 1a9x n THR 6664Ca 0.00 -0.01 -0.35 0.00 -2.04 0.00 0.00 64.05 61.65 1a9x n THR 6664Cb 0.00 -0.42 0.06 0.00 -1.82 0.00 0.00 70.33 68.15 1a9x n THR 6664CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1a9x s SER 6665N 1.14 4.80 0.26 8.00 1.04 -1.26 -4.80 113.70 122.87 1a9x s SER 6665Ca 0.93 2.36 -0.04 0.00 0.48 0.00 0.00 55.95 59.69 1a9x s SER 6665Cb -1.23 -2.59 0.36 0.00 0.10 0.00 0.00 66.02 62.66 1a9x s SER 6665CO 0.61 -1.86 1.89 -0.65 0.98 0.00 0.00 173.24 174.21 1a9x h PRO 6666N 0.37 1.14 -0.24 4.02 0.11 -1.91 0.21 132.00 135.71 1a9x h PRO 6666Ca -0.49 -0.07 -0.12 0.00 0.11 0.00 0.00 66.00 65.43 1a9x h PRO 6666Cb 1.30 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 1a9x h PRO 6666CO 0.53 0.76 -0.30 0.22 -0.21 0.00 0.00 178.00 179.00 1a9x h ASP 6667N 1.18 0.68 -0.54 -2.05 3.58 -1.96 -2.18 116.42 115.13 1a9x h ASP 6667Ca 0.41 -0.50 0.10 0.00 0.42 0.00 0.00 57.03 57.47 1a9x h ASP 6667Cb 0.10 -0.19 -0.08 0.00 1.72 0.00 0.00 39.33 40.88 1a9x h ASP 6667CO -0.15 1.04 0.07 0.00 -2.88 0.00 0.00 179.24 177.32 1a9x h ALA 6668N 0.66 0.59 -0.45 -0.78 0.00 -1.60 0.10 119.26 117.78 1a9x h ALA 6668Ca 0.03 0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.16 1a9x h ALA 6668Cb 0.87 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.77 1a9x h ALA 6668CO 0.07 -0.34 -0.15 0.82 0.00 0.00 0.00 179.25 179.65 1a9x h ILE 6669N 0.20 0.48 -0.52 0.00 2.04 -0.48 -1.30 117.51 117.93 1a9x h ILE 6669Ca 0.28 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.18 1a9x h ILE 6669Cb 0.41 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 1a9x h ILE 6669CO -0.39 0.00 0.26 -0.78 0.00 0.00 0.00 178.15 177.24 1a9x h ASP 6670N -0.05 0.37 -0.99 1.72 3.58 -0.33 -0.98 116.42 119.74 1a9x h ASP 6670Ca 0.22 0.03 0.15 0.00 0.42 0.00 0.00 57.03 57.85 1a9x h ASP 6670Cb 0.38 -0.04 -0.09 0.00 1.72 0.00 0.00 39.33 41.30 1a9x h ASP 6670CO -0.49 0.25 0.62 0.03 -2.88 0.00 0.00 179.24 176.77 1a9x h ARG 6671N 0.50 0.82 0.03 0.28 3.08 0.26 0.73 114.38 120.09 1a9x h ARG 6671Ca 0.23 -0.05 -0.25 0.00 0.07 0.00 0.00 59.98 59.98 1a9x h ARG 6671Cb 0.14 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 1a9x h ARG 6671CO -0.16 0.55 -1.26 0.00 -1.07 0.00 0.00 179.97 178.03 1a9x h ALA 6672N 1.59 0.39 0.00 0.04 0.00 -0.80 -2.47 119.26 118.01 1a9x h ALA 6672Ca 0.52 -1.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.30 1a9x h ALA 6672Cb 0.70 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1a9x h ALA 6672CO -0.30 1.27 -0.37 0.93 0.00 0.00 0.00 179.25 180.79 1a9x h GLU 6673N 0.02 0.00 -6.15 0.00 4.39 -0.43 -3.41 114.58 109.00 1a9x h GLU 6673Ca -0.12 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.06 1a9x h GLU 6673Cb 1.88 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 30.46 1a9x h GLU 6673CO 0.13 0.37 1.21 0.34 -1.16 0.00 0.00 179.01 179.90 1a9x s ASP 6674N -6.37 6.03 0.34 1.42 2.15 0.25 -4.80 116.67 115.69 1a9x s ASP 6674Ca 0.04 -0.69 0.26 0.00 0.43 0.00 0.00 52.55 52.58 1a9x s ASP 6674Cb 0.08 -2.56 1.14 0.00 -0.30 0.00 0.00 42.92 41.28 1a9x s ASP 6674CO 0.71 -1.91 1.17 0.54 -0.17 0.00 0.00 175.17 175.51 1a9x n ARG 6675N 9.13 -0.02 0.02 4.34 3.00 -1.26 0.28 116.66 132.15 1a9x n ARG 6675Ca 0.20 0.93 0.11 0.00 -0.01 0.00 0.00 57.85 59.08 1a9x n ARG 6675Cb 0.50 -1.86 -0.07 0.00 0.00 0.00 0.00 32.46 31.02 1a9x n ARG 6675CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1a9x n GLU 6676N -4.13 0.45 0.09 5.56 0.00 -1.26 -3.05 120.64 118.30 1a9x n GLU 6676Ca 0.31 -0.06 -0.18 0.00 0.00 0.00 0.00 57.16 57.22 1a9x n GLU 6676Cb 1.21 -1.59 -0.14 0.00 0.00 0.00 0.00 31.44 30.92 1a9x n GLU 6676CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1a9x h ARG 6677N 0.00 0.32 0.08 5.31 3.08 0.39 -3.34 114.38 120.21 1a9x h ARG 6677Ca 0.00 -0.54 -0.00 0.00 0.07 0.00 0.00 59.98 59.51 1a9x h ARG 6677Cb 0.85 0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.10 1a9x h ARG 6677CO 0.00 1.22 -0.04 0.35 -1.07 0.00 0.00 179.97 180.43 1a9x h PHE 6678N 0.09 -0.10 -0.36 3.04 3.57 -0.16 -3.05 116.94 119.97 1a9x h PHE 6678Ca -0.22 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.38 1a9x h PHE 6678Cb 2.04 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 40.80 1a9x h PHE 6678CO 0.08 0.36 0.44 0.37 -2.23 0.00 0.00 178.31 177.32 1a9x h GLN 6679N -0.60 0.00 -0.01 1.11 4.15 -1.69 0.44 115.11 118.51 1a9x h GLN 6679Ca -0.01 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 1a9x h GLN 6679Cb 0.50 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.19 1a9x h GLN 6679CO 0.02 0.00 -0.03 0.45 -1.93 0.00 0.00 178.83 177.33 1a9x h HIS 6680N 0.00 0.06 -0.20 3.99 3.86 -1.66 -0.92 115.15 120.28 1a9x h HIS 6680Ca 0.17 -0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.24 1a9x h HIS 6680Cb 1.04 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.49 1a9x h HIS 6680CO 0.00 0.64 -0.36 0.00 0.86 0.00 0.00 177.93 179.06 1a9x h ALA 6681N 0.41 0.99 -0.59 2.45 0.00 -0.21 0.16 119.26 122.47 1a9x h ALA 6681Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1a9x h ALA 6681Cb 0.64 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1a9x h ALA 6681CO 0.01 0.61 0.38 0.28 0.00 0.00 0.00 179.25 180.52 1a9x h VAL 6682N 0.38 1.16 -0.08 0.00 2.07 -0.55 0.47 116.25 119.70 1a9x h VAL 6682Ca 0.04 -0.33 0.04 0.00 0.82 0.00 0.00 66.70 67.27 1a9x h VAL 6682Cb 0.81 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 1a9x h VAL 6682CO 0.07 0.16 -0.22 -0.33 0.02 0.00 0.00 177.57 177.27 1a9x h GLU 6683N 0.80 -0.29 0.21 1.57 5.08 -0.61 0.50 114.58 121.84 1a9x h GLU 6683Ca 0.22 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.60 1a9x h GLU 6683Cb -0.06 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 1a9x h GLU 6683CO -0.04 -0.20 -0.51 -0.09 -1.00 0.00 0.00 179.01 177.17 1a9x h ARG 6684N -0.31 -0.77 0.00 2.33 2.43 0.61 -1.04 114.38 117.64 1a9x h ARG 6684Ca 0.08 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1a9x h ARG 6684Cb 0.43 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1a9x h ARG 6684CO -0.25 -0.51 0.00 1.28 -1.51 0.00 0.00 179.97 178.97 1a9x n LEU 6685N -5.39 0.00 -3.21 3.80 4.77 0.15 -4.86 117.00 112.27 1a9x n LEU 6685Ca -0.09 0.40 -0.09 0.00 -0.03 0.00 0.00 56.01 56.20 1a9x n LEU 6685Cb 0.41 -0.40 0.03 0.00 -2.33 0.00 0.00 43.42 41.13 1a9x n LEU 6685CO 0.18 -0.30 0.18 0.29 -1.33 0.00 0.00 177.39 176.41 1a9x n LYS 6686N -1.40 -1.64 -4.42 3.23 5.02 0.09 -5.03 118.16 114.01 1a9x n LYS 6686Ca 0.03 1.17 -0.25 0.00 -2.02 0.00 0.00 58.31 57.24 1a9x n LYS 6686Cb 0.08 -5.49 -0.09 0.00 -0.02 0.00 0.00 35.03 29.50 1a9x n LYS 6686CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1a9x s LEU 6687N -4.71 2.87 -0.35 -0.35 1.43 -0.72 -5.05 118.68 111.80 1a9x s LEU 6687Ca 0.19 -1.05 -0.19 0.00 -1.03 0.00 0.00 54.13 52.06 1a9x s LEU 6687Cb -0.03 -1.22 -0.00 0.00 0.03 0.00 0.00 46.19 44.96 1a9x s LEU 6687CO 0.76 -0.19 0.56 -0.54 0.23 0.00 0.00 176.35 177.17 1a9x s LYS 6688N -3.66 3.66 -0.06 1.70 -0.14 -1.26 -4.77 119.74 115.21 1a9x s LYS 6688Ca 0.33 -0.06 0.03 0.00 -1.36 0.00 0.00 55.97 54.91 1a9x s LYS 6688Cb -0.00 -3.80 0.01 0.00 -1.68 0.00 0.00 37.83 32.35 1a9x s LYS 6688CO 0.18 -0.66 -0.16 -1.14 -0.76 0.00 0.00 175.35 172.81 1a9x s GLN 6689N 2.50 1.94 0.82 1.68 0.74 -1.26 0.22 119.66 126.29 1a9x s GLN 6689Ca 0.21 -0.56 -0.13 0.00 0.05 0.00 0.00 55.36 54.93 1a9x s GLN 6689Cb -0.15 -1.60 0.09 0.00 1.10 0.00 0.00 33.01 32.45 1a9x s GLN 6689CO 0.14 0.13 1.20 -1.25 -0.55 0.00 0.00 175.29 174.95 1a9x s PRO 6690N 0.38 1.57 0.36 1.67 0.04 -1.26 -4.88 135.00 132.88 1a9x s PRO 6690Ca -0.11 1.74 -0.28 0.00 0.04 0.00 0.00 61.00 62.38 1a9x s PRO 6690Cb -0.15 -1.77 -0.12 0.00 0.04 0.00 0.00 34.50 32.51 1a9x s PRO 6690CO 0.04 -2.26 1.39 0.00 0.04 0.00 0.00 177.00 176.20 1a9x n ALA 6691N -3.40 1.83 -2.34 8.56 0.00 -1.26 -4.74 120.51 119.16 1a9x n ALA 6691Ca 0.13 0.35 -0.16 0.00 0.00 0.00 0.00 53.44 53.77 1a9x n ALA 6691Cb 0.51 -2.34 -0.08 0.00 0.00 0.00 0.00 19.45 17.54 1a9x n ALA 6691CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1a9x s ASN 6692N -0.22 0.95 0.09 0.00 2.20 -1.26 0.68 114.94 117.39 1a9x s ASN 6692Ca 0.54 -1.56 -0.26 0.00 -0.94 0.00 0.00 52.86 50.64 1a9x s ASN 6692Cb -0.52 0.50 0.08 0.00 -2.00 0.00 0.00 41.25 39.30 1a9x s ASN 6692CO 0.63 -1.00 0.92 0.00 -2.94 0.00 0.00 177.10 174.71 1a9x s ALA 6693N -3.71 -1.72 -0.38 3.54 0.00 0.68 -4.95 121.76 115.22 1a9x s ALA 6693Ca 0.39 0.47 0.01 0.00 0.00 0.00 0.00 51.96 52.82 1a9x s ALA 6693Cb 0.04 0.56 0.13 0.00 0.00 0.00 0.00 23.12 23.85 1a9x s ALA 6693CO 0.20 -0.90 0.20 0.99 0.00 0.00 0.00 175.76 176.25 1a9x s THR 6694N -3.23 0.87 0.27 0.00 2.01 -1.26 -0.33 115.64 113.96 1a9x s THR 6694Ca 0.09 -2.01 -0.08 0.00 0.31 0.00 0.00 61.69 60.00 1a9x s THR 6694Cb -0.01 -1.63 -0.06 0.00 0.01 0.00 0.00 72.50 70.81 1a9x s THR 6694CO -0.02 -0.88 0.57 -0.69 -0.69 0.00 0.00 174.62 172.91 1a9x s VAL 6695N 0.88 4.96 -0.03 3.82 1.01 -0.57 -4.97 120.40 125.50 1a9x s VAL 6695Ca 0.16 0.32 -0.03 0.00 0.00 0.00 0.00 61.98 62.43 1a9x s VAL 6695Cb -0.22 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 1a9x s VAL 6695CO -0.06 -0.20 -0.07 0.41 0.00 0.00 0.00 175.10 175.18 1a9x n THR 6696N -0.54 0.60 -3.92 3.92 -1.04 -1.26 -3.47 114.28 108.58 1a9x n THR 6696Ca -0.00 0.05 -0.33 0.00 -2.04 0.00 0.00 64.05 61.73 1a9x n THR 6696Cb 0.53 -1.62 -0.05 0.00 -1.82 0.00 0.00 70.33 67.37 1a9x n THR 6696CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a9x s ALA 6697N -2.13 3.95 0.05 2.41 0.00 -1.26 -5.01 121.76 119.78 1a9x s ALA 6697Ca -0.07 -0.78 -0.15 0.00 0.00 0.00 0.00 51.96 50.95 1a9x s ALA 6697Cb 0.02 -1.86 -0.06 0.00 0.00 0.00 0.00 23.12 21.23 1a9x s ALA 6697CO 0.09 0.76 1.24 0.82 0.00 0.00 0.00 175.76 178.68 1a9x h ILE 6698N 2.69 0.00 -0.87 0.00 5.03 -2.00 -2.54 117.51 119.82 1a9x h ILE 6698Ca -0.48 0.00 0.19 0.00 -0.12 0.00 0.00 64.86 64.45 1a9x h ILE 6698Cb 1.18 0.00 -0.16 0.00 -3.03 0.00 0.00 36.82 34.81 1a9x h ILE 6698CO 0.70 0.00 -0.14 -0.33 -0.68 0.00 0.00 178.15 177.70 1a9x h GLU 6699N -0.29 0.02 -0.62 2.37 4.39 -2.00 -0.49 114.58 117.96 1a9x h GLU 6699Ca 0.00 -0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.83 1a9x h GLU 6699Cb 0.31 -0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 28.84 1a9x h GLU 6699CO -0.15 0.01 -0.15 1.98 -1.16 0.00 0.00 179.01 179.54 1a9x h MET 6700N 0.02 0.00 0.35 2.33 4.05 -1.92 -2.04 114.93 117.72 1a9x h MET 6700Ca 0.45 -0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.85 1a9x h MET 6700Cb 0.76 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.56 1a9x h MET 6700CO -0.86 0.00 -0.17 0.00 0.23 0.00 0.00 176.91 176.11 1a9x h ALA 6701N 1.61 -0.48 -1.16 0.39 0.00 -0.70 0.13 119.26 119.05 1a9x h ALA 6701Ca 0.30 -0.12 0.35 0.00 0.00 0.00 0.00 54.91 55.43 1a9x h ALA 6701Cb 0.45 0.18 -0.11 0.00 0.00 0.00 0.00 17.79 18.31 1a9x h ALA 6701CO -0.63 -0.74 0.75 0.28 0.00 0.00 0.00 179.25 178.90 1a9x h VAL 6702N -0.53 0.33 0.02 0.00 2.07 -0.71 3.97 116.25 121.40 1a9x h VAL 6702Ca -0.05 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 1a9x h VAL 6702Cb 0.40 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1a9x h VAL 6702CO 0.08 0.04 -0.01 -0.08 0.02 0.00 0.00 177.57 177.62 1a9x h GLU 6703N 0.24 -0.03 -0.69 1.57 4.57 -1.17 -2.22 114.58 116.85 1a9x h GLU 6703Ca 0.70 0.00 0.11 0.00 -1.18 0.00 0.00 59.36 58.99 1a9x h GLU 6703Cb 2.01 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 30.56 1a9x h GLU 6703CO -0.37 0.62 0.46 0.87 -1.18 0.00 0.00 179.01 179.42 1a9x h LYS 6704N -0.96 0.50 0.39 1.92 1.79 0.24 -0.02 116.57 120.41 1a9x h LYS 6704Ca -0.00 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.42 1a9x h LYS 6704Cb 0.66 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 1a9x h LYS 6704CO 0.00 0.33 -0.18 0.00 -1.08 0.00 0.00 179.45 178.52 1a9x h ALA 6705N 1.66 -0.52 -0.33 3.86 0.00 0.74 -1.82 119.26 122.84 1a9x h ALA 6705Ca 0.32 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.19 1a9x h ALA 6705Cb 0.58 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1a9x h ALA 6705CO -0.11 -0.74 0.67 0.87 0.00 0.00 0.00 179.25 179.94 1a9x h LYS 6706N -0.62 0.00 0.00 0.00 6.56 -0.36 1.85 116.57 124.00 1a9x h LYS 6706Ca -0.05 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.54 1a9x h LYS 6706Cb 0.45 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.11 1a9x h LYS 6706CO 0.09 0.00 -0.00 1.49 -2.06 0.00 0.00 179.45 178.97 1a9x h GLU 6707N 0.00 -0.00 -0.48 3.15 4.81 -0.83 -3.38 114.58 117.85 1a9x h GLU 6707Ca 0.16 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.42 1a9x h GLU 6707Cb 1.49 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.84 1a9x h GLU 6707CO -0.00 -0.00 0.26 0.82 -0.73 0.00 0.00 179.01 179.36 1a9x h ILE 6708N -0.05 1.01 0.00 2.32 2.04 -0.57 -3.49 117.51 118.78 1a9x h ILE 6708Ca -0.00 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1a9x h ILE 6708Cb 0.00 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1a9x h ILE 6708CO 0.00 0.10 0.00 0.61 0.00 0.00 0.00 178.15 178.86 1a9x n GLY 6709N -1.24 -1.19 3.92 5.37 0.00 0.62 -4.86 105.19 107.81 1a9x n GLY 6709Ca 0.03 -1.52 -0.26 0.00 0.00 0.00 0.00 46.02 44.27 1a9x n GLY 6709CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a9x s TYR 6710N -3.17 3.37 0.87 1.61 1.51 -1.26 -4.42 117.35 115.86 1a9x s TYR 6710Ca 0.00 0.65 -0.12 0.00 -1.01 0.00 0.00 57.07 56.59 1a9x s TYR 6710Cb 0.00 -2.51 0.11 0.00 -0.11 0.00 0.00 41.96 39.45 1a9x s TYR 6710CO 0.00 -0.55 1.13 -1.25 -1.11 0.00 0.00 175.55 173.77 1a9x s PRO 6711N -4.84 1.51 0.19 -1.71 0.04 -1.26 -4.88 135.00 124.05 1a9x s PRO 6711Ca 0.51 0.38 0.09 0.00 0.04 0.00 0.00 61.00 62.02 1a9x s PRO 6711Cb -0.10 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1a9x s PRO 6711CO 0.44 -1.96 -0.19 -0.51 0.04 0.00 0.00 177.00 174.82 1a9x s LEU 6712N -5.91 2.46 -0.39 -3.56 1.02 0.25 0.26 118.68 112.81 1a9x s LEU 6712Ca 0.63 -0.89 -0.04 0.00 0.02 0.00 0.00 54.13 53.84 1a9x s LEU 6712Cb -0.14 -0.91 0.09 0.00 0.02 0.00 0.00 46.19 45.25 1a9x s LEU 6712CO 0.53 -0.01 0.18 -0.69 0.02 0.00 0.00 176.35 176.38 1a9x s VAL 6713N -2.10 3.50 -0.34 -1.59 1.01 0.60 -0.86 120.40 120.61 1a9x s VAL 6713Ca 0.19 -1.74 -0.19 0.00 0.00 0.00 0.00 61.98 60.23 1a9x s VAL 6713Cb -0.06 -3.25 -0.00 0.00 0.00 0.00 0.00 36.38 33.07 1a9x s VAL 6713CO 0.08 -0.53 0.58 -0.69 0.00 0.00 0.00 175.10 174.54 1a9x s VAL 6714N 1.24 4.96 -0.41 2.92 1.01 -0.92 -1.83 120.40 127.38 1a9x s VAL 6714Ca 0.04 0.56 -0.06 0.00 0.00 0.00 0.00 61.98 62.52 1a9x s VAL 6714Cb -0.22 -4.00 0.10 0.00 0.00 0.00 0.00 36.38 32.25 1a9x s VAL 6714CO -0.02 -0.22 0.22 -0.13 0.00 0.00 0.00 175.10 174.96 1a9x s ARG 6715N 2.54 2.29 0.00 2.72 0.52 -0.54 -3.51 118.95 122.97 1a9x s ARG 6715Ca 0.22 -1.66 0.00 0.00 -0.52 0.00 0.00 55.73 53.77 1a9x s ARG 6715Cb -0.15 -3.66 0.00 0.00 0.52 0.00 0.00 34.95 31.66 1a9x s ARG 6715CO 0.13 -1.02 0.90 0.00 0.02 0.00 0.00 175.30 175.33 1a9x n ALA 6716N 4.74 -0.27 -1.73 2.13 0.00 -1.26 -2.18 120.51 121.93 1a9x n ALA 6716Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1a9x n ALA 6716Cb 0.42 0.15 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1a9x n ALA 6716CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a9x n ALA 6724N -2.00 -1.33 -2.51 0.00 0.00 -1.26 -4.34 120.51 109.08 1a9x n ALA 6724Ca 0.00 0.16 -0.25 0.00 0.00 0.00 0.00 53.44 53.35 1a9x n ALA 6724Cb 0.00 -0.83 -0.13 0.00 0.00 0.00 0.00 19.45 18.49 1a9x n ALA 6724CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1a9x s MET 6725N -0.18 1.18 0.03 0.00 1.00 -1.26 -4.97 119.30 115.10 1a9x s MET 6725Ca 0.00 -1.20 -0.26 0.00 0.00 0.00 0.00 55.69 54.23 1a9x s MET 6725Cb 0.00 -1.50 0.06 0.00 0.00 0.00 0.00 34.83 33.39 1a9x s MET 6725CO 0.00 0.35 0.60 -2.00 0.00 0.00 0.00 175.02 173.97 1a9x s GLU 6726N -1.94 1.10 -0.24 2.03 2.12 -1.23 -4.73 118.70 115.81 1a9x s GLU 6726Ca 0.08 -0.10 -0.08 0.00 0.36 0.00 0.00 54.97 55.24 1a9x s GLU 6726Cb -0.10 0.51 -0.03 0.00 0.26 0.00 0.00 34.13 34.77 1a9x s GLU 6726CO 0.05 -0.40 0.08 0.42 -0.54 0.00 0.00 175.26 174.87 1a9x s ILE 6727N -2.25 4.47 -0.11 -3.70 1.01 -1.26 -2.15 121.20 117.21 1a9x s ILE 6727Ca -0.06 -0.12 -0.09 0.00 0.00 0.00 0.00 60.65 60.37 1a9x s ILE 6727Cb -0.01 -3.08 -0.04 0.00 0.01 0.00 0.00 42.46 39.34 1a9x s ILE 6727CO 0.00 0.35 0.21 -0.69 0.00 0.00 0.00 174.94 174.81 1a9x s VAL 6728N 1.43 5.39 -0.23 2.92 1.01 -0.04 -4.89 120.40 125.99 1a9x s VAL 6728Ca 0.06 0.36 0.09 0.00 0.00 0.00 0.00 61.98 62.49 1a9x s VAL 6728Cb -0.15 -3.49 -0.21 0.00 0.00 0.00 0.00 36.38 32.53 1a9x s VAL 6728CO 0.04 0.57 -0.07 -1.22 0.00 0.00 0.00 175.10 174.42 1a9x n TYR 6729N 2.25 0.04 -4.16 5.22 4.02 -1.26 0.84 117.16 124.10 1a9x n TYR 6729Ca -0.18 0.01 -0.11 0.00 -0.01 0.00 0.00 57.90 57.61 1a9x n TYR 6729Cb 0.54 -1.01 -0.10 0.00 -0.02 0.00 0.00 39.34 38.76 1a9x n TYR 6729CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 1a9x s ASP 6730N -6.06 0.18 0.22 7.72 1.47 -1.26 -4.46 116.67 114.48 1a9x s ASP 6730Ca -0.23 -1.27 -0.19 0.00 1.18 0.00 0.00 52.55 52.04 1a9x s ASP 6730Cb 0.08 0.37 0.20 0.00 -0.34 0.00 0.00 42.92 43.22 1a9x s ASP 6730CO 0.71 -0.82 1.56 -0.08 0.68 0.00 0.00 175.17 177.22 1a9x h GLU 6731N 2.68 -0.04 -0.30 2.11 4.81 -1.96 0.31 114.58 122.18 1a9x h GLU 6731Ca -0.35 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 58.92 1a9x h GLU 6731Cb 1.23 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.56 1a9x h GLU 6731CO 0.54 -0.03 -0.38 0.00 -0.73 0.00 0.00 179.01 178.41 1a9x h ALA 6732N 1.23 -0.61 -0.51 2.92 0.00 -2.01 -2.26 119.26 118.03 1a9x h ALA 6732Ca 0.31 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.32 1a9x h ALA 6732Cb 0.58 1.01 -0.10 0.00 0.00 0.00 0.00 17.79 19.27 1a9x h ALA 6732CO -0.91 -0.79 -0.24 -0.44 0.00 0.00 0.00 179.25 176.86 1a9x h ASP 6733N -0.25 -0.82 -0.93 0.00 5.19 -1.12 -1.92 116.42 116.57 1a9x h ASP 6733Ca 0.05 0.19 0.12 0.00 -0.62 0.00 0.00 57.03 56.77 1a9x h ASP 6733Cb 0.39 0.44 -0.08 0.00 0.18 0.00 0.00 39.33 40.26 1a9x h ASP 6733CO -0.41 -0.26 0.56 0.25 -3.12 0.00 0.00 179.24 176.26 1a9x h LEU 6734N -0.12 0.79 0.19 1.55 5.85 0.04 0.16 115.31 123.77 1a9x h LEU 6734Ca 0.23 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 1a9x h LEU 6734Cb 0.49 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1a9x h LEU 6734CO -0.58 0.41 -0.09 0.03 -0.34 0.00 0.00 178.44 177.86 1a9x h ARG 6735N 0.87 -0.25 -0.79 1.25 3.08 -1.14 -1.38 114.38 116.01 1a9x h ARG 6735Ca 0.47 0.02 0.29 0.00 0.07 0.00 0.00 59.98 60.83 1a9x h ARG 6735Cb 0.51 0.06 -0.14 0.00 0.08 0.00 0.00 29.97 30.47 1a9x h ARG 6735CO -0.28 0.14 0.29 -2.13 -1.07 0.00 0.00 179.97 176.91 1a9x n ARG 6736N -5.00 -0.05 0.15 0.04 0.63 -0.76 0.88 116.66 112.55 1a9x n ARG 6736Ca -0.09 1.12 -0.06 0.00 -0.92 0.00 0.00 57.85 57.90 1a9x n ARG 6736Cb 0.26 -1.93 -0.03 0.00 0.45 0.00 0.00 32.46 31.21 1a9x n ARG 6736CO 0.00 0.00 0.00 -0.92 -2.51 0.00 0.00 177.63 174.20 1a9x h TYR 6737N 0.00 -0.38 -1.16 -0.14 3.20 -0.49 -3.07 116.97 114.92 1a9x h TYR 6737Ca 0.61 -0.01 0.41 0.00 3.14 0.00 0.00 58.73 62.88 1a9x h TYR 6737Cb 1.51 0.13 -0.15 0.00 1.54 0.00 0.00 36.73 39.75 1a9x h TYR 6737CO -0.14 -0.24 0.70 0.74 -1.64 0.00 0.00 178.16 177.58 1a9x h PHE 6738N -0.63 0.70 0.00 -3.82 0.04 0.14 1.63 116.94 115.00 1a9x h PHE 6738Ca -0.04 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1a9x h PHE 6738Cb 0.32 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.30 1a9x h PHE 6738CO 0.07 -0.29 0.00 0.94 -0.60 0.00 0.00 178.31 178.42 1a9x n GLN 6739N -4.95 0.00 -0.23 1.51 7.27 0.26 -2.70 117.38 118.54 1a9x n GLN 6739Ca 0.37 0.06 0.31 0.00 0.07 0.00 0.00 57.00 57.82 1a9x n GLN 6739Cb 1.31 -0.68 0.72 0.00 2.41 0.00 0.00 30.24 34.00 1a9x n GLN 6739CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 1a9x h THR 6740N 0.00 0.38 0.00 1.69 1.35 -1.30 -3.51 112.91 111.51 1a9x h THR 6740Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1a9x h THR 6740Cb 0.00 0.43 0.00 0.00 -1.73 0.00 0.00 68.15 66.85 1a9x h THR 6740CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1a9x n ALA 6741N -2.64 0.00 0.00 6.62 0.00 0.55 -5.10 120.51 119.93 1a9x n ALA 6741Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1a9x n ALA 6741Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.58 1a9x n ALA 6741CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1a9x n VAL 6750N -0.10 0.00 -3.05 0.00 0.31 -1.23 -5.04 118.33 109.23 1a9x n VAL 6750Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.94 1a9x n VAL 6750Cb 0.00 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 1a9x n VAL 6750CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1a9x s LEU 6751N 0.00 4.55 -0.10 7.52 1.02 -0.93 -1.51 118.68 129.23 1a9x s LEU 6751Ca 0.00 1.55 0.04 0.00 0.02 0.00 0.00 54.13 55.73 1a9x s LEU 6751Cb 0.00 -3.27 -0.00 0.00 0.02 0.00 0.00 46.19 42.94 1a9x s LEU 6751CO 0.00 0.20 -0.23 -0.76 0.02 0.00 0.00 176.35 175.58 1a9x s LEU 6752N -1.26 2.16 -0.00 1.79 1.02 0.55 -1.46 118.68 121.47 1a9x s LEU 6752Ca 0.36 -0.53 0.00 0.00 0.02 0.00 0.00 54.13 53.97 1a9x s LEU 6752Cb -0.22 -1.43 -0.00 0.00 0.02 0.00 0.00 46.19 44.56 1a9x s LEU 6752CO 0.24 0.16 -0.01 -1.81 0.02 0.00 0.00 176.35 174.95 1a9x s ASP 6753N 0.34 0.15 0.17 2.29 1.11 -0.76 -0.23 116.67 119.73 1a9x s ASP 6753Ca -0.18 -0.03 -0.30 0.00 0.18 0.00 0.00 52.55 52.22 1a9x s ASP 6753Cb -0.18 -0.02 -0.08 0.00 1.07 0.00 0.00 42.92 43.72 1a9x s ASP 6753CO 0.09 0.01 1.26 -2.28 1.18 0.00 0.00 175.17 175.43 1a9x s HIS 6754N -0.05 3.34 -0.32 4.23 5.65 0.21 0.22 115.29 128.57 1a9x s HIS 6754Ca 0.00 1.28 -0.25 0.00 0.25 0.00 0.00 55.06 56.34 1a9x s HIS 6754Cb -0.01 -3.52 0.01 0.00 -1.18 0.00 0.00 32.58 27.88 1a9x s HIS 6754CO -0.00 -1.60 0.90 0.12 -0.65 0.00 0.00 174.74 173.50 1a9x s PHE 6755N 0.25 3.16 -0.83 3.88 5.36 0.14 -4.74 117.98 125.21 1a9x s PHE 6755Ca 0.56 0.90 -0.25 0.00 -0.96 0.00 0.00 56.93 57.19 1a9x s PHE 6755Cb -0.34 -3.44 -0.01 0.00 -0.34 0.00 0.00 43.02 38.88 1a9x s PHE 6755CO 0.36 -0.68 1.75 -0.51 -1.46 0.00 0.00 175.22 174.68 1a9x s LEU 6756N 3.26 3.26 0.55 6.12 1.43 -1.26 -4.52 118.68 127.52 1a9x s LEU 6756Ca 0.37 -0.53 -0.16 0.00 -1.03 0.00 0.00 54.13 52.78 1a9x s LEU 6756Cb -0.13 -2.55 -0.06 0.00 0.03 0.00 0.00 46.19 43.47 1a9x s LEU 6756CO 0.15 -2.30 1.02 -0.62 0.23 0.00 0.00 176.35 174.82 1a9x s ASP 6757N 6.95 6.27 -1.51 2.29 2.15 -1.26 -4.01 116.67 127.56 1a9x s ASP 6757Ca 0.60 1.68 -0.01 0.00 0.43 0.00 0.00 52.55 55.25 1a9x s ASP 6757Cb -0.07 -2.52 0.01 0.00 -0.30 0.00 0.00 42.92 40.04 1a9x s ASP 6757CO 0.05 -0.83 0.22 0.47 -0.17 0.00 0.00 175.17 174.91 1a9x n ASP 6758N -1.76 0.18 -4.43 -0.34 8.00 -1.26 -4.97 116.55 111.97 1a9x n ASP 6758Ca 0.08 -1.15 -0.30 0.00 0.71 0.00 0.00 54.79 54.12 1a9x n ASP 6758Cb 0.53 -2.26 -0.13 0.00 -0.02 0.00 0.00 41.12 39.25 1a9x n ASP 6758CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a9x s ALA 6759N -4.13 2.52 -0.07 2.24 0.00 -1.26 -4.81 121.76 116.25 1a9x s ALA 6759Ca 0.05 -1.30 -0.21 0.00 0.00 0.00 0.00 51.96 50.50 1a9x s ALA 6759Cb -0.03 -0.60 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 1a9x s ALA 6759CO 0.95 0.57 0.62 0.08 0.00 0.00 0.00 175.76 177.97 1a9x s VAL 6760N -0.99 5.06 -0.02 0.00 1.01 -0.86 -0.90 120.40 123.70 1a9x s VAL 6760Ca 0.15 1.27 -0.09 0.00 0.00 0.00 0.00 61.98 63.30 1a9x s VAL 6760Cb -0.10 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 1a9x s VAL 6760CO 0.06 0.31 0.29 -0.70 0.00 0.00 0.00 175.10 175.06 1a9x s GLU 6761N 0.53 3.66 0.00 2.72 2.12 -1.26 -0.23 118.70 126.25 1a9x s GLU 6761Ca 0.33 0.08 0.03 0.00 0.36 0.00 0.00 54.97 55.77 1a9x s GLU 6761Cb -0.17 -3.14 -0.01 0.00 0.26 0.00 0.00 34.13 31.07 1a9x s GLU 6761CO 0.16 0.69 -0.10 0.08 -0.54 0.00 0.00 175.26 175.54 1a9x s VAL 6762N -1.17 0.79 -0.04 3.70 1.01 -0.45 -1.40 120.40 122.83 1a9x s VAL 6762Ca 0.24 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.74 1a9x s VAL 6762Cb -0.14 -0.68 -0.02 0.00 0.00 0.00 0.00 36.38 35.54 1a9x s VAL 6762CO 0.12 0.14 -0.23 -1.81 0.00 0.00 0.00 175.10 173.32 1a9x s ASP 6763N -0.46 3.29 -0.12 3.32 1.01 0.56 -1.43 116.67 122.84 1a9x s ASP 6763Ca 0.02 -0.42 -0.01 0.00 0.71 0.00 0.00 52.55 52.86 1a9x s ASP 6763Cb -0.05 -0.60 0.03 0.00 1.01 0.00 0.00 42.92 43.32 1a9x s ASP 6763CO -0.00 0.30 -0.04 -0.69 0.21 0.00 0.00 175.17 174.96 1a9x s VAL 6764N -0.51 0.80 -0.02 -1.27 1.01 -0.34 0.59 120.40 120.66 1a9x s VAL 6764Ca 0.07 -0.26 -0.08 0.00 0.00 0.00 0.00 61.98 61.70 1a9x s VAL 6764Cb -0.11 -0.94 -0.05 0.00 0.00 0.00 0.00 36.38 35.28 1a9x s VAL 6764CO 0.01 0.23 0.27 -1.81 0.00 0.00 0.00 175.10 173.79 1a9x s ASP 6765N 1.79 6.53 0.10 3.32 1.01 -0.49 -1.96 116.67 126.96 1a9x s ASP 6765Ca 0.04 0.61 -0.20 0.00 0.71 0.00 0.00 52.55 53.71 1a9x s ASP 6765Cb -0.13 -2.11 0.05 0.00 1.01 0.00 0.00 42.92 41.73 1a9x s ASP 6765CO -0.07 0.30 0.49 0.00 0.21 0.00 0.00 175.17 176.10 1a9x s ALA 6766N -1.20 -1.22 -0.06 5.23 0.00 -0.71 0.46 121.76 124.25 1a9x s ALA 6766Ca 0.24 0.31 0.04 0.00 0.00 0.00 0.00 51.96 52.54 1a9x s ALA 6766Cb -0.13 0.62 -0.02 0.00 0.00 0.00 0.00 23.12 23.59 1a9x s ALA 6766CO 0.13 -0.62 -0.17 0.42 0.00 0.00 0.00 175.76 175.52 1a9x s ILE 6767N -3.29 2.82 -0.03 0.00 1.01 0.35 -1.22 121.20 120.84 1a9x s ILE 6767Ca -0.01 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 59.86 1a9x s ILE 6767Cb 0.00 -2.10 0.01 0.00 0.01 0.00 0.00 42.46 40.38 1a9x s ILE 6767CO -0.08 0.57 -0.06 0.00 0.00 0.00 0.00 174.94 175.37 1a9x n ASP 6769N 3.49 1.91 0.00 0.00 5.75 -0.91 -1.86 116.55 124.94 1a9x n ASP 6769Ca -0.20 -1.61 0.00 0.00 -0.01 0.00 0.00 54.79 52.97 1a9x n ASP 6769Cb 0.54 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 1a9x n ASP 6769CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1a9x n GLY 6770N 0.10 3.19 0.10 6.12 0.00 -1.26 -4.78 105.19 108.65 1a9x n GLY 6770Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 1a9x n GLY 6770CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a9x n GLU 6771N -1.40 0.84 -3.24 1.61 1.02 -1.26 -5.06 120.64 113.15 1a9x n GLU 6771Ca 0.00 0.07 -0.08 0.00 -0.02 0.00 0.00 57.16 57.13 1a9x n GLU 6771Cb 0.00 -1.44 0.01 0.00 -0.02 0.00 0.00 31.44 30.00 1a9x n GLU 6771CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a9x n MET 6772N -2.91 0.82 -3.82 3.49 0.00 -1.26 -5.15 117.12 108.28 1a9x n MET 6772Ca -0.34 -1.85 -0.20 0.00 0.00 0.00 0.00 57.70 55.31 1a9x n MET 6772Cb 0.97 2.17 -0.17 0.00 0.00 0.00 0.00 33.22 36.19 1a9x n MET 6772CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1a9x s VAL 6773N -2.39 0.21 -0.19 3.17 1.01 -1.26 -2.13 120.40 118.82 1a9x s VAL 6773Ca 0.15 0.17 -0.09 0.00 0.00 0.00 0.00 61.98 62.21 1a9x s VAL 6773Cb -0.03 -0.36 -0.05 0.00 0.00 0.00 0.00 36.38 35.94 1a9x s VAL 6773CO 0.11 0.20 0.10 -0.22 0.00 0.00 0.00 175.10 175.29 1a9x s LEU 6774N 1.65 4.02 -0.31 3.92 2.96 0.12 -4.95 118.68 126.09 1a9x s LEU 6774Ca -0.01 0.16 -0.24 0.00 -0.22 0.00 0.00 54.13 53.83 1a9x s LEU 6774Cb -0.13 -2.03 0.00 0.00 0.50 0.00 0.00 46.19 44.54 1a9x s LEU 6774CO -0.03 0.18 0.82 -0.63 -1.32 0.00 0.00 176.35 175.37 1a9x s ILE 6775N 0.34 4.76 0.03 6.68 -1.09 -1.26 -0.50 121.20 130.15 1a9x s ILE 6775Ca 0.06 1.21 -0.19 0.00 -2.23 0.00 0.00 60.65 59.50 1a9x s ILE 6775Cb -0.12 -4.18 -0.19 0.00 -1.58 0.00 0.00 42.46 36.39 1a9x s ILE 6775CO -0.01 -0.29 1.19 1.23 -1.23 0.00 0.00 174.94 175.83 1a9x h GLY 6776N 9.55 0.50 -4.88 6.18 0.00 -0.33 -3.42 103.07 110.67 1a9x h GLY 6776Ca -0.24 -0.74 0.21 0.00 0.00 0.00 0.00 47.33 46.56 1a9x h GLY 6776CO 0.90 0.65 0.87 -0.32 0.00 0.00 0.00 176.54 178.65 1a9x s GLY 6777N -3.91 0.03 -0.30 4.60 0.00 -1.00 -4.81 107.32 101.92 1a9x s GLY 6777Ca -0.13 2.70 -0.03 0.00 0.00 0.00 0.00 44.72 47.26 1a9x s GLY 6777CO 0.81 1.12 0.02 -0.42 0.00 0.00 0.00 173.10 174.64 1a9x s ILE 6778N -1.00 3.26 -0.13 0.90 1.01 -1.26 -1.40 121.20 122.58 1a9x s ILE 6778Ca 0.07 -1.19 -0.03 0.00 0.00 0.00 0.00 60.65 59.50 1a9x s ILE 6778Cb -0.01 -2.80 -0.03 0.00 0.01 0.00 0.00 42.46 39.62 1a9x s ILE 6778CO -0.06 -0.05 -0.01 -0.04 0.00 0.00 0.00 174.94 174.78 1a9x s MET 6779N 1.33 3.42 -0.32 2.79 -1.94 0.20 -3.97 119.30 120.80 1a9x s MET 6779Ca -0.03 -0.45 -0.08 0.00 -1.71 0.00 0.00 55.69 53.41 1a9x s MET 6779Cb -0.19 -2.90 0.01 0.00 2.01 0.00 0.00 34.83 33.77 1a9x s MET 6779CO -0.00 0.44 0.13 -2.00 -0.01 0.00 0.00 175.02 173.57 1a9x s GLU 6780N -0.15 3.01 0.50 2.03 2.12 0.34 -0.32 118.70 126.23 1a9x s GLU 6780Ca 0.04 -0.93 -0.23 0.00 0.36 0.00 0.00 54.97 54.22 1a9x s GLU 6780Cb -0.13 -3.52 -0.06 0.00 0.26 0.00 0.00 34.13 30.69 1a9x s GLU 6780CO 0.02 -0.53 1.30 -1.01 -0.54 0.00 0.00 175.26 174.50 1a9x s HIS 6781N 1.52 2.53 -0.08 5.30 3.76 -0.50 -1.59 115.29 126.24 1a9x s HIS 6781Ca 0.02 1.42 -0.10 0.00 -0.15 0.00 0.00 55.06 56.25 1a9x s HIS 6781Cb -0.18 -3.66 -0.07 0.00 1.11 0.00 0.00 32.58 29.77 1a9x s HIS 6781CO 0.04 -2.39 0.38 0.82 -0.85 0.00 0.00 174.74 172.75 1a9x h ILE 6782N 1.74 0.29 -3.86 0.60 5.03 -1.49 -3.43 117.51 116.38 1a9x h ILE 6782Ca -0.50 -1.02 -0.52 0.00 -0.12 0.00 0.00 64.86 62.70 1a9x h ILE 6782Cb 1.28 0.52 0.05 0.00 -3.03 0.00 0.00 36.82 35.63 1a9x h ILE 6782CO 0.59 0.09 0.58 -1.61 -0.68 0.00 0.00 178.15 177.11 1a9x s GLU 6783N -2.41 4.43 1.12 2.37 8.01 -1.26 -4.60 118.70 126.35 1a9x s GLU 6783Ca -0.06 2.06 -0.13 0.00 0.01 0.00 0.00 54.97 56.85 1a9x s GLU 6783Cb 0.00 -3.08 0.26 0.00 -4.31 0.00 0.00 34.13 26.99 1a9x s GLU 6783CO 0.20 -0.07 1.05 1.14 0.01 0.00 0.00 175.26 177.59 1a9x s GLN 6784N -1.71 -0.55 0.32 1.61 0.00 -1.26 -4.51 119.66 113.55 1a9x s GLN 6784Ca 0.48 0.76 -0.29 0.00 -0.00 0.00 0.00 55.36 56.31 1a9x s GLN 6784Cb -0.37 -1.60 -0.11 0.00 0.00 0.00 0.00 33.01 30.93 1a9x s GLN 6784CO 0.48 -3.46 1.55 0.00 0.00 0.00 0.00 175.29 173.86 1a9x s ALA 6785N -2.60 3.68 0.00 2.60 0.00 -0.08 -2.07 121.76 123.29 1a9x s ALA 6785Ca 0.68 1.56 0.00 0.00 0.00 0.00 0.00 51.96 54.20 1a9x s ALA 6785Cb -0.23 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.26 1a9x s ALA 6785CO 0.63 -1.00 0.00 0.41 0.00 0.00 0.00 175.76 175.80 1a9x n GLY 6786N 1.53 1.78 3.52 0.00 0.00 -1.26 -4.80 105.19 105.96 1a9x n GLY 6786Ca 0.05 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 1a9x n GLY 6786CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a9x s VAL 6787N -0.47 5.12 0.14 1.61 1.01 -0.88 -1.60 120.40 125.33 1a9x s VAL 6787Ca 0.00 -0.11 -0.32 0.00 0.00 0.00 0.00 61.98 61.55 1a9x s VAL 6787Cb 0.00 -3.94 -0.18 0.00 0.00 0.00 0.00 36.38 32.27 1a9x s VAL 6787CO 0.00 -0.26 0.70 1.57 0.00 0.00 0.00 175.10 177.11 1a9x n HIS 6788N 5.52 -0.09 -0.22 5.22 -0.00 0.22 -4.68 115.22 121.19 1a9x n HIS 6788Ca -0.08 0.98 0.03 0.00 0.46 0.00 0.00 57.72 59.11 1a9x n HIS 6788Cb 0.48 -2.01 0.14 0.00 -0.12 0.00 0.00 29.99 28.48 1a9x n HIS 6788CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1a9x h SER 6789N 1.65 0.01 0.00 0.26 4.64 -1.92 0.22 113.55 118.41 1a9x h SER 6789Ca -0.35 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1a9x h SER 6789Cb 1.43 0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.69 1a9x h SER 6789CO 0.60 -0.01 0.33 1.23 -0.87 0.00 0.00 176.83 178.11 1a9x h GLY 6790N 0.27 0.00 -0.12 -0.77 0.00 -1.97 0.21 103.07 100.69 1a9x h GLY 6790Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1a9x h GLY 6790CO -0.45 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.31 1a9x n ASP 6791N -2.70 1.96 -4.85 0.19 8.00 0.71 -4.72 116.55 115.14 1a9x n ASP 6791Ca -0.02 -1.87 -0.36 0.00 0.71 0.00 0.00 54.79 53.25 1a9x n ASP 6791Cb 0.37 -0.02 -0.06 0.00 -0.02 0.00 0.00 41.12 41.39 1a9x n ASP 6791CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1a9x s SER 6792N -0.88 6.74 0.64 -2.24 0.01 0.73 -4.82 113.70 113.89 1a9x s SER 6792Ca 0.02 0.91 -0.12 0.00 1.31 0.00 0.00 55.95 58.08 1a9x s SER 6792Cb 0.01 -2.23 -0.02 0.00 0.21 0.00 0.00 66.02 63.99 1a9x s SER 6792CO 0.01 0.21 1.04 0.00 0.41 0.00 0.00 173.24 174.92 1a9x s ALA 6793N -1.30 2.91 0.13 1.44 0.00 -1.26 -4.73 121.76 118.95 1a9x s ALA 6793Ca 0.31 0.02 -0.11 0.00 0.00 0.00 0.00 51.96 52.19 1a9x s ALA 6793Cb -0.15 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1a9x s ALA 6793CO 0.17 -0.88 0.29 0.00 0.00 0.00 0.00 175.76 175.33 1a9x s SER 6795N -2.89 1.18 -0.20 0.00 0.15 -0.62 -1.18 113.70 110.14 1a9x s SER 6795Ca 0.09 -0.18 -0.04 0.00 0.70 0.00 0.00 55.95 56.52 1a9x s SER 6795Cb 0.03 -0.35 0.07 0.00 -1.71 0.00 0.00 66.02 64.06 1a9x s SER 6795CO -0.07 0.05 0.07 -0.22 1.20 0.00 0.00 173.24 174.28 1a9x s LEU 6796N 0.28 0.76 0.76 3.45 0.20 -0.21 -0.50 118.68 123.42 1a9x s LEU 6796Ca -0.04 -0.81 -0.10 0.00 0.69 0.00 0.00 54.13 53.87 1a9x s LEU 6796Cb -0.09 -0.41 0.07 0.00 -0.43 0.00 0.00 46.19 45.33 1a9x s LEU 6796CO 0.01 -0.35 1.11 -2.16 -0.29 0.00 0.00 176.35 174.67 1a9x s PRO 6797N 2.01 2.08 0.20 0.98 0.05 -1.26 -0.34 135.00 138.72 1a9x s PRO 6797Ca 0.02 -0.03 -0.32 0.00 0.05 0.00 0.00 61.00 60.72 1a9x s PRO 6797Cb -0.16 -2.04 -0.15 0.00 0.05 0.00 0.00 34.50 32.20 1a9x s PRO 6797CO -0.12 -1.44 1.28 0.00 0.05 0.00 0.00 177.00 176.77 1a9x n ALA 6798N -3.15 0.12 0.24 8.56 0.00 -1.24 -4.86 120.51 120.19 1a9x n ALA 6798Ca 0.08 0.44 0.11 0.00 0.00 0.00 0.00 53.44 54.07 1a9x n ALA 6798Cb 0.61 -2.14 -0.09 0.00 0.00 0.00 0.00 19.45 17.83 1a9x n ALA 6798CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1a9x n TYR 6799N 1.69 0.26 0.00 0.00 4.11 -1.26 -4.71 117.16 117.24 1a9x n TYR 6799Ca 0.13 0.07 0.00 0.00 -0.00 0.00 0.00 57.90 58.11 1a9x n TYR 6799Cb 0.28 -0.53 0.00 0.00 -0.00 0.00 0.00 39.34 39.09 1a9x n TYR 6799CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 1a9x n THR 6800N -2.20 0.00 -1.71 -3.48 -2.24 -1.26 -5.09 114.28 98.30 1a9x n THR 6800Ca -0.01 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.35 1a9x n THR 6800Cb 0.51 -0.58 -0.00 0.00 -2.10 0.00 0.00 70.33 68.16 1a9x n THR 6800CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1a9x n LEU 6801N -1.78 3.84 -4.82 3.22 4.77 -1.26 -4.99 117.00 115.99 1a9x n LEU 6801Ca 0.00 1.18 -0.33 0.00 -0.03 0.00 0.00 56.01 56.83 1a9x n LEU 6801Cb 0.35 -1.51 -0.03 0.00 -2.33 0.00 0.00 43.42 39.90 1a9x n LEU 6801CO 0.00 -0.45 0.69 -0.94 -1.33 0.00 0.00 177.39 175.36 1a9x s SER 6802N -0.35 6.47 0.18 -1.43 1.04 -1.26 -4.93 113.70 113.42 1a9x s SER 6802Ca 0.57 1.74 -0.14 0.00 0.48 0.00 0.00 55.95 58.60 1a9x s SER 6802Cb -0.54 -2.53 0.11 0.00 0.10 0.00 0.00 66.02 63.16 1a9x s SER 6802CO 0.61 -0.69 1.80 -0.61 0.98 0.00 0.00 173.24 175.33 1a9x h GLN 6803N 1.24 0.52 -0.98 4.02 5.75 -1.99 -1.54 115.11 122.12 1a9x h GLN 6803Ca -0.48 -0.03 0.16 0.00 -0.15 0.00 0.00 58.65 58.15 1a9x h GLN 6803Cb 1.20 -0.12 -0.10 0.00 1.07 0.00 0.00 27.48 29.53 1a9x h GLN 6803CO 0.60 0.34 0.59 1.49 -2.65 0.00 0.00 178.83 179.20 1a9x h GLU 6804N 0.53 0.79 -0.04 1.69 4.81 -2.00 -0.50 114.58 119.86 1a9x h GLU 6804Ca 0.21 -0.05 -0.24 0.00 -0.13 0.00 0.00 59.36 59.16 1a9x h GLU 6804Cb 0.08 -0.18 0.01 0.00 0.63 0.00 0.00 28.75 29.30 1a9x h GLU 6804CO -0.13 0.52 -0.93 0.97 -0.73 0.00 0.00 179.01 178.72 1a9x h ILE 6805N 0.81 1.32 -0.40 2.32 2.10 -1.78 -2.98 117.51 118.90 1a9x h ILE 6805Ca 0.53 -2.23 -0.01 0.00 1.08 0.00 0.00 64.86 64.23 1a9x h ILE 6805Cb 0.73 2.28 -0.02 0.00 -1.09 0.00 0.00 36.82 38.71 1a9x h ILE 6805CO -0.34 0.69 0.20 1.56 -1.08 0.00 0.00 178.15 179.17 1a9x h GLN 6806N 0.37 0.55 -0.54 2.19 4.20 -0.49 -1.48 115.11 119.91 1a9x h GLN 6806Ca -0.09 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.57 1a9x h GLN 6806Cb 1.56 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 29.20 1a9x h GLN 6806CO 0.18 0.42 0.35 -0.44 -0.67 0.00 0.00 178.83 178.67 1a9x h ASP 6807N 0.55 0.62 -0.19 1.46 3.32 -1.01 0.60 116.42 121.78 1a9x h ASP 6807Ca 0.14 -0.02 -0.15 0.00 0.02 0.00 0.00 57.03 57.03 1a9x h ASP 6807Cb 0.04 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1a9x h ASP 6807CO -0.02 0.45 -0.46 0.58 -1.72 0.00 0.00 179.24 178.07 1a9x h VAL 6808N 0.73 1.33 -0.69 -1.35 2.07 -1.14 0.16 116.25 117.35 1a9x h VAL 6808Ca 0.20 -1.70 -0.06 0.00 0.82 0.00 0.00 66.70 65.96 1a9x h VAL 6808Cb -0.08 1.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1a9x h VAL 6808CO -0.04 0.53 0.20 0.24 0.02 0.00 0.00 177.57 178.52 1a9x h MET 6809N 0.31 1.09 -0.79 1.57 2.86 -0.76 1.06 114.93 120.27 1a9x h MET 6809Ca -0.00 -0.24 -0.04 0.00 -2.06 0.00 0.00 59.70 57.35 1a9x h MET 6809Cb 1.07 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 32.54 1a9x h MET 6809CO 0.10 0.95 0.34 0.00 1.06 0.00 0.00 176.91 179.36 1a9x h ARG 6810N 1.02 1.15 0.14 1.72 3.08 0.32 0.28 114.38 122.10 1a9x h ARG 6810Ca 0.22 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1a9x h ARG 6810Cb 0.32 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1a9x h ARG 6810CO -0.00 0.91 -0.07 1.96 -1.07 0.00 0.00 179.97 181.70 1a9x h GLN 6811N 1.13 -0.18 -0.56 0.04 4.20 0.11 -2.94 115.11 116.91 1a9x h GLN 6811Ca 0.27 0.01 0.08 0.00 0.06 0.00 0.00 58.65 59.07 1a9x h GLN 6811Cb 0.17 0.04 -0.07 0.00 0.30 0.00 0.00 27.48 27.93 1a9x h GLN 6811CO -0.03 -0.03 0.21 1.96 -0.67 0.00 0.00 178.83 180.27 1a9x h GLN 6812N -0.29 0.38 -0.29 1.46 4.20 0.16 -2.56 115.11 118.17 1a9x h GLN 6812Ca -0.02 -0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.73 1a9x h GLN 6812Cb 0.23 -0.09 -0.06 0.00 0.30 0.00 0.00 27.48 27.87 1a9x h GLN 6812CO 0.03 0.25 -0.12 0.28 -0.67 0.00 0.00 178.83 178.60 1a9x h VAL 6813N 0.39 0.61 -0.22 -0.54 2.07 -0.87 -1.56 116.25 116.12 1a9x h VAL 6813Ca 0.28 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.85 1a9x h VAL 6813Cb 0.32 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.64 1a9x h VAL 6813CO -0.28 0.00 -0.13 -0.61 0.02 0.00 0.00 177.57 176.57 1a9x h GLN 6814N -0.07 -0.12 -0.75 1.57 4.15 -1.31 -1.17 115.11 117.41 1a9x h GLN 6814Ca 0.15 0.01 0.16 0.00 0.77 0.00 0.00 58.65 59.73 1a9x h GLN 6814Cb 0.29 0.03 -0.10 0.00 0.21 0.00 0.00 27.48 27.91 1a9x h GLN 6814CO -0.34 -0.08 0.25 0.87 -1.93 0.00 0.00 178.83 177.60 1a9x h LYS 6815N -0.12 0.34 -0.32 1.69 1.57 -1.00 -2.54 116.57 116.20 1a9x h LYS 6815Ca 0.12 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1a9x h LYS 6815Cb 0.31 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1a9x h LYS 6815CO -0.30 0.23 0.07 -0.07 -0.57 0.00 0.00 179.45 178.81 1a9x h LEU 6816N 0.35 0.49 0.21 2.94 3.38 -0.30 -1.25 115.31 121.13 1a9x h LEU 6816Ca 0.42 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 58.16 1a9x h LEU 6816Cb 0.69 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1a9x h LEU 6816CO -0.46 0.60 -0.35 0.00 0.09 0.00 0.00 178.44 178.32 1a9x h ALA 6817N 0.90 -0.67 0.13 1.53 0.00 -0.87 0.63 119.26 120.91 1a9x h ALA 6817Ca 0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1a9x h ALA 6817Cb 0.31 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1a9x h ALA 6817CO 0.00 -0.93 -0.06 0.74 0.00 0.00 0.00 179.25 179.01 1a9x h PHE 6818N -0.64 -0.16 -0.58 0.00 0.04 -1.54 0.48 116.94 114.54 1a9x h PHE 6818Ca 0.01 -0.00 0.12 0.00 2.80 0.00 0.00 57.97 60.89 1a9x h PHE 6818Cb 0.63 0.05 -0.11 0.00 2.20 0.00 0.00 35.95 38.72 1a9x h PHE 6818CO -0.27 0.01 -0.15 1.49 -0.60 0.00 0.00 178.31 178.79 1a9x h GLU 6819N -0.30 -0.01 0.00 1.51 4.57 -0.82 -0.36 114.58 119.18 1a9x h GLU 6819Ca -0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1a9x h GLU 6819Cb 0.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 1a9x h GLU 6819CO 0.03 -0.00 0.00 -0.07 -1.18 0.00 0.00 179.01 177.78 1a9x h LEU 6820N -0.01 0.00 -1.33 1.64 3.38 0.40 -3.47 115.31 115.92 1a9x h LEU 6820Ca 0.28 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.10 1a9x h LEU 6820Cb 0.43 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.24 1a9x h LEU 6820CO -0.60 0.00 -0.29 0.00 0.09 0.00 0.00 178.44 177.64 1a9x n GLN 6821N -2.71 -2.98 -2.13 1.13 1.13 0.13 -4.78 117.38 107.16 1a9x n GLN 6821Ca 0.04 0.34 -0.41 0.00 -1.94 0.00 0.00 57.00 55.02 1a9x n GLN 6821Cb 0.44 -3.86 -0.03 0.00 0.11 0.00 0.00 30.24 26.91 1a9x n GLN 6821CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1a9x s VAL 6822N -3.14 2.98 -0.36 5.09 1.01 0.86 -4.64 120.40 122.20 1a9x s VAL 6822Ca 0.14 0.81 0.00 0.00 0.00 0.00 0.00 61.98 62.93 1a9x s VAL 6822Cb -0.06 -3.52 0.13 0.00 0.00 0.00 0.00 36.38 32.93 1a9x s VAL 6822CO 0.29 0.12 0.19 -0.13 0.00 0.00 0.00 175.10 175.58 1a9x s ARG 6823N -0.22 0.75 0.00 2.72 1.81 -1.25 -4.26 118.95 118.50 1a9x s ARG 6823Ca 0.58 -1.40 0.00 0.00 -1.72 0.00 0.00 55.73 53.19 1a9x s ARG 6823Cb -0.39 -1.69 0.00 0.00 -0.45 0.00 0.00 34.95 32.42 1a9x s ARG 6823CO 0.40 -1.14 0.00 0.41 -0.68 0.00 0.00 175.30 174.29 1a9x n GLY 6824N 4.16 0.17 3.90 -3.53 0.00 -0.78 0.34 105.19 109.45 1a9x n GLY 6824Ca 0.07 -1.63 -0.28 0.00 0.00 0.00 0.00 46.02 44.18 1a9x n GLY 6824CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a9x s LEU 6825N 0.00 3.79 0.15 0.99 1.43 -1.26 -1.57 118.68 122.21 1a9x s LEU 6825Ca 0.00 0.89 -0.16 0.00 -1.03 0.00 0.00 54.13 53.82 1a9x s LEU 6825Cb 0.00 -3.79 0.03 0.00 0.03 0.00 0.00 46.19 42.46 1a9x s LEU 6825CO 0.00 -0.44 0.44 0.00 0.23 0.00 0.00 176.35 176.58 1a9x s MET 6826N -4.30 1.20 -0.00 1.70 0.23 -0.36 -2.50 119.30 115.26 1a9x s MET 6826Ca 0.47 -0.79 0.01 0.00 -1.03 0.00 0.00 55.69 54.34 1a9x s MET 6826Cb -0.10 0.48 -0.00 0.00 -1.53 0.00 0.00 34.83 33.68 1a9x s MET 6826CO 0.38 -0.48 -0.02 1.21 -2.03 0.00 0.00 175.02 174.08 1a9x s ASN 6827N -2.84 0.21 -0.04 -1.18 3.84 0.55 -1.74 114.94 113.75 1a9x s ASN 6827Ca 0.06 -0.04 0.02 0.00 0.21 0.00 0.00 52.86 53.11 1a9x s ASN 6827Cb 0.01 -0.02 0.01 0.00 -0.55 0.00 0.00 41.25 40.70 1a9x s ASN 6827CO -0.08 0.02 -0.09 -0.69 -2.79 0.00 0.00 177.10 173.47 1a9x s VAL 6828N -0.06 0.85 -0.11 -5.21 1.01 -0.83 0.59 120.40 116.64 1a9x s VAL 6828Ca 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 1a9x s VAL 6828Cb -0.01 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 1a9x s VAL 6828CO -0.00 0.28 -0.09 -1.10 0.00 0.00 0.00 175.10 174.19 1a9x s GLN 6829N 0.51 3.23 0.30 2.72 -0.21 0.22 -1.20 119.66 125.23 1a9x s GLN 6829Ca -0.09 -0.61 0.04 0.00 0.02 0.00 0.00 55.36 54.73 1a9x s GLN 6829Cb -0.12 -2.68 -0.06 0.00 1.00 0.00 0.00 33.01 31.15 1a9x s GLN 6829CO 0.01 0.37 0.03 -0.06 -2.12 0.00 0.00 175.29 173.53 1a9x s PHE 6830N -0.03 1.89 -0.01 0.91 0.08 -0.51 -0.86 117.98 119.45 1a9x s PHE 6830Ca -0.01 -0.92 0.02 0.00 0.12 0.00 0.00 56.93 56.13 1a9x s PHE 6830Cb -0.14 -1.19 0.00 0.00 -0.57 0.00 0.00 43.02 41.12 1a9x s PHE 6830CO 0.03 0.03 -0.05 0.00 -0.10 0.00 0.00 175.22 175.14 1a9x s ALA 6831N -3.28 0.48 -0.26 5.36 0.00 0.12 -1.35 121.76 122.83 1a9x s ALA 6831Ca 0.34 -0.17 -0.03 0.00 0.00 0.00 0.00 51.96 52.10 1a9x s ALA 6831Cb 0.08 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.04 1a9x s ALA 6831CO 0.14 0.08 -0.03 0.08 0.00 0.00 0.00 175.76 176.02 1a9x s VAL 6832N 0.12 3.09 -0.15 0.00 1.01 0.69 -0.73 120.40 124.43 1a9x s VAL 6832Ca -0.01 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.02 1a9x s VAL 6832Cb -0.05 -2.57 0.02 0.00 0.00 0.00 0.00 36.38 33.77 1a9x s VAL 6832CO -0.00 0.18 -0.18 -0.75 0.00 0.00 0.00 175.10 174.35 1a9x s LYS 6833N 1.36 2.63 -1.34 2.72 2.20 0.25 -2.02 119.74 125.54 1a9x s LYS 6833Ca 0.01 -0.70 -0.01 0.00 -0.36 0.00 0.00 55.97 54.90 1a9x s LYS 6833Cb -0.17 -2.25 -0.00 0.00 -1.51 0.00 0.00 37.83 33.90 1a9x s LYS 6833CO -0.03 -0.14 0.58 0.09 -0.36 0.00 0.00 175.35 175.49 1a9x n ASN 6834N 4.43 -1.07 -2.51 1.43 5.03 -1.26 0.23 115.26 121.55 1a9x n ASN 6834Ca -0.19 -0.91 -0.21 0.00 0.87 0.00 0.00 54.58 54.14 1a9x n ASN 6834Cb 0.51 -3.58 0.01 0.00 -1.02 0.00 0.00 39.78 35.69 1a9x n ASN 6834CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1a9x n ASN 6835N -3.00 -5.83 -3.95 6.41 2.85 -1.26 -4.95 115.26 105.53 1a9x n ASN 6835Ca -0.29 -0.11 -0.17 0.00 -0.11 0.00 0.00 54.58 53.89 1a9x n ASN 6835Cb 0.68 -4.77 -0.15 0.00 1.24 0.00 0.00 39.78 36.77 1a9x n ASN 6835CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1a9x s GLU 6836N -5.24 0.59 -0.27 1.20 2.02 0.14 -5.10 118.70 112.03 1a9x s GLU 6836Ca 0.11 -0.19 -0.12 0.00 0.02 0.00 0.00 54.97 54.79 1a9x s GLU 6836Cb -0.05 -0.58 -0.05 0.00 0.10 0.00 0.00 34.13 33.55 1a9x s GLU 6836CO 0.13 0.08 0.23 0.08 0.02 0.00 0.00 175.26 175.80 1a9x s VAL 6837N 0.15 5.28 -0.03 2.63 1.01 -1.26 0.86 120.40 129.03 1a9x s VAL 6837Ca -0.01 0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.27 1a9x s VAL 6837Cb -0.06 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 1a9x s VAL 6837CO -0.00 0.24 -0.11 -0.31 0.00 0.00 0.00 175.10 174.92 1a9x s TYR 6838N 1.77 2.80 -0.38 5.22 1.51 0.09 -4.38 117.35 123.99 1a9x s TYR 6838Ca 0.09 -0.09 -0.16 0.00 -1.01 0.00 0.00 57.07 55.90 1a9x s TYR 6838Cb -0.16 -1.62 0.00 0.00 -0.11 0.00 0.00 41.96 40.07 1a9x s TYR 6838CO 0.10 0.29 0.39 -1.17 -1.11 0.00 0.00 175.55 174.05 1a9x s LEU 6839N -1.04 4.63 -0.11 -1.29 2.96 0.13 0.11 118.68 124.07 1a9x s LEU 6839Ca 0.14 -0.43 -0.06 0.00 -0.22 0.00 0.00 54.13 53.55 1a9x s LEU 6839Cb -0.11 -2.35 -0.05 0.00 0.50 0.00 0.00 46.19 44.19 1a9x s LEU 6839CO 0.03 -0.44 0.09 0.40 -1.32 0.00 0.00 176.35 175.12 1a9x h ILE 6840N 5.61 0.28 -2.57 6.68 2.04 -1.32 -3.42 117.51 124.82 1a9x h ILE 6840Ca -0.28 -1.22 0.10 0.00 1.00 0.00 0.00 64.86 64.45 1a9x h ILE 6840Cb 1.13 0.54 -0.10 0.00 -0.74 0.00 0.00 36.82 37.65 1a9x h ILE 6840CO 0.73 0.09 0.39 -1.83 0.00 0.00 0.00 178.15 177.54 1a9x s GLU 6841N -1.77 1.20 -0.08 2.37 -1.05 -1.17 -5.00 118.70 113.22 1a9x s GLU 6841Ca -0.06 -0.57 0.01 0.00 -0.15 0.00 0.00 54.97 54.20 1a9x s GLU 6841Cb 0.00 0.47 0.02 0.00 -0.44 0.00 0.00 34.13 34.18 1a9x s GLU 6841CO 0.15 -0.54 -0.09 0.08 0.95 0.00 0.00 175.26 175.80 1a9x s VAL 6842N -3.44 0.96 -0.32 1.83 1.01 -1.26 -0.61 120.40 118.58 1a9x s VAL 6842Ca 0.08 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.75 1a9x s VAL 6842Cb -0.02 -0.94 0.09 0.00 0.00 0.00 0.00 36.38 35.51 1a9x s VAL 6842CO -0.03 0.33 0.01 0.20 0.00 0.00 0.00 175.10 175.61 1a9x s ASN 6843N 1.09 4.71 -0.93 3.32 0.01 0.20 -4.64 114.94 118.70 1a9x s ASN 6843Ca -0.07 -1.88 -0.07 0.00 -0.71 0.00 0.00 52.86 50.13 1a9x s ASN 6843Cb -0.14 -1.62 -0.04 0.00 0.41 0.00 0.00 41.25 39.85 1a9x s ASN 6843CO -0.01 -0.33 2.92 -0.81 -1.51 0.00 0.00 177.10 177.36 1a9x n PRO 6844N 4.34 3.30 -3.73 -0.60 -0.04 -1.26 0.21 135.00 137.22 1a9x n PRO 6844Ca -0.03 -2.30 -0.08 0.00 -0.04 0.00 0.00 63.50 61.05 1a9x n PRO 6844Cb 0.42 -2.44 0.03 0.00 -0.04 0.00 0.00 33.50 31.47 1a9x n PRO 6844CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1a9x n ARG 6845N 2.27 1.08 -2.16 0.54 1.85 -1.04 -4.83 116.66 114.37 1a9x n ARG 6845Ca 0.60 -2.12 -0.42 0.00 -1.00 0.00 0.00 57.85 54.91 1a9x n ARG 6845Cb 0.46 2.66 -0.03 0.00 -1.05 0.00 0.00 32.46 34.50 1a9x n ARG 6845CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1a9x s ALA 6846N -2.05 3.60 0.14 2.89 0.00 -1.06 -3.50 121.76 121.78 1a9x s ALA 6846Ca 0.16 1.12 0.05 0.00 0.00 0.00 0.00 51.96 53.29 1a9x s ALA 6846Cb -0.05 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 1a9x s ALA 6846CO 0.11 -0.65 0.09 0.00 0.00 0.00 0.00 175.76 175.31 1a9x s ALA 6847N 1.21 3.47 -1.77 0.00 0.00 -1.26 -4.82 121.76 118.58 1a9x s ALA 6847Ca 0.65 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 51.41 1a9x s ALA 6847Cb -0.37 -1.29 0.02 0.00 0.00 0.00 0.00 23.12 21.49 1a9x s ALA 6847CO 0.30 0.56 0.64 2.89 0.00 0.00 0.00 175.76 180.15 1a9x n ARG 6848N -0.08 0.01 0.04 0.00 1.85 -1.26 -0.69 116.66 116.53 1a9x n ARG 6848Ca -0.09 0.11 0.11 0.00 -1.00 0.00 0.00 57.85 56.99 1a9x n ARG 6848Cb 0.54 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 30.40 1a9x n ARG 6848CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1a9x n THR 6849N -1.12 0.24 -0.22 8.89 -2.24 -1.26 -4.54 114.28 114.03 1a9x n THR 6849Ca 0.00 -0.40 -0.02 0.00 -2.27 0.00 0.00 64.05 61.35 1a9x n THR 6849Cb 0.00 0.01 0.04 0.00 -2.10 0.00 0.00 70.33 68.29 1a9x n THR 6849CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1a9x h VAL 6850N 0.00 0.22 -0.98 2.28 2.07 -1.29 -1.21 116.25 117.34 1a9x h VAL 6850Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1a9x h VAL 6850Cb 0.88 0.22 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 1a9x h VAL 6850CO 0.00 0.00 0.64 -0.65 0.02 0.00 0.00 177.57 177.58 1a9x h PRO 6851N -0.09 1.20 -0.36 1.57 0.11 -1.80 -0.95 132.00 131.67 1a9x h PRO 6851Ca 0.28 -0.07 -0.10 0.00 0.11 0.00 0.00 66.00 66.22 1a9x h PRO 6851Cb 0.54 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 1a9x h PRO 6851CO -0.71 0.79 -0.16 0.35 -0.21 0.00 0.00 178.00 178.06 1a9x h PHE 6852N 1.23 0.86 -0.26 0.65 3.57 -1.54 -1.50 116.94 119.95 1a9x h PHE 6852Ca 0.39 -0.21 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 1a9x h PHE 6852Cb 0.02 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 1a9x h PHE 6852CO -0.00 0.93 0.13 0.28 -2.23 0.00 0.00 178.31 177.42 1a9x h VAL 6853N 0.54 1.15 -0.43 1.41 2.07 -1.04 0.42 116.25 120.36 1a9x h VAL 6853Ca 0.08 -0.42 0.08 0.00 0.82 0.00 0.00 66.70 67.26 1a9x h VAL 6853Cb 0.70 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 31.35 1a9x h VAL 6853CO 0.05 0.15 0.04 0.28 0.02 0.00 0.00 177.57 178.11 1a9x h SER 6854N 0.29 -0.09 -0.04 0.57 0.02 -1.08 0.37 113.55 113.58 1a9x h SER 6854Ca 0.09 0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 61.04 1a9x h SER 6854Cb 0.12 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1a9x h SER 6854CO -0.01 -0.01 -0.22 0.50 -1.14 0.00 0.00 176.83 175.95 1a9x h LYS 6855N 0.16 0.43 -0.02 3.45 1.63 -1.11 0.26 116.57 121.38 1a9x h LYS 6855Ca 0.21 -0.15 -0.21 0.00 -0.85 0.00 0.00 60.65 59.65 1a9x h LYS 6855Cb 0.29 -0.03 0.02 0.00 -0.60 0.00 0.00 32.23 31.90 1a9x h LYS 6855CO -0.32 0.63 -0.80 0.00 -3.45 0.00 0.00 179.45 175.51 1a9x h ALA 6856N 1.38 0.13 -0.00 5.00 0.00 0.12 -3.32 119.26 122.57 1a9x h ALA 6856Ca 0.06 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1a9x h ALA 6856Cb 0.60 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1a9x h ALA 6856CO 0.04 0.53 -0.52 0.25 0.00 0.00 0.00 179.25 179.55 1a9x n THR 6857N -4.04 0.00 0.00 0.00 -2.24 0.11 -4.85 114.28 103.26 1a9x n THR 6857Ca -0.10 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1a9x n THR 6857Cb 0.77 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 1a9x n THR 6857CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a9x n GLY 6858N 1.46 2.49 3.56 3.38 0.00 0.92 -4.96 105.19 112.04 1a9x n GLY 6858Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1a9x n GLY 6858CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a9x s VAL 6859N -2.65 4.87 -1.10 1.61 1.01 -1.20 -4.97 120.40 117.98 1a9x s VAL 6859Ca 0.00 0.50 -0.22 0.00 0.00 0.00 0.00 61.98 62.26 1a9x s VAL 6859Cb 0.00 -4.11 -0.08 0.00 0.00 0.00 0.00 36.38 32.19 1a9x s VAL 6859CO 0.00 -0.38 1.92 -0.81 0.00 0.00 0.00 175.10 175.83 1a9x n PRO 6860N 6.11 1.83 -0.34 2.72 -0.04 -1.26 -4.18 135.00 139.84 1a9x n PRO 6860Ca -0.01 -2.41 0.27 0.00 -0.04 0.00 0.00 63.50 61.31 1a9x n PRO 6860Cb 0.48 -3.46 0.58 0.00 -0.04 0.00 0.00 33.50 31.07 1a9x n PRO 6860CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1a9x h LEU 6861N 15.67 0.32 -0.61 1.53 3.38 -1.92 -1.29 115.31 132.39 1a9x h LEU 6861Ca 0.32 0.07 -0.14 0.00 0.09 0.00 0.00 57.88 58.23 1a9x h LEU 6861Cb 0.84 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1a9x h LEU 6861CO 1.49 0.03 -0.38 0.00 0.09 0.00 0.00 178.44 179.67 1a9x h ALA 6862N 1.57 0.79 0.15 1.53 0.00 -1.92 -1.21 119.26 120.17 1a9x h ALA 6862Ca 0.62 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1a9x h ALA 6862Cb 1.82 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.50 1a9x h ALA 6862CO -0.25 0.65 -0.07 0.87 0.00 0.00 0.00 179.25 180.45 1a9x h LYS 6863N 0.55 -0.19 0.13 0.00 1.57 -1.47 -1.63 116.57 115.54 1a9x h LYS 6863Ca 0.05 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1a9x h LYS 6863Cb 0.90 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.22 1a9x h LYS 6863CO 0.08 0.10 -0.27 0.28 -0.57 0.00 0.00 179.45 179.07 1a9x h VAL 6864N -0.48 0.41 -0.66 0.50 2.07 -1.51 0.07 116.25 116.65 1a9x h VAL 6864Ca -0.02 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.53 1a9x h VAL 6864Cb 0.38 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 1a9x h VAL 6864CO 0.03 0.00 0.44 0.00 0.02 0.00 0.00 177.57 178.06 1a9x h ALA 6865N 0.23 1.64 -0.31 1.67 0.00 -1.25 0.43 119.26 121.67 1a9x h ALA 6865Ca 0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1a9x h ALA 6865Cb 0.51 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1a9x h ALA 6865CO -0.15 0.29 0.02 0.00 0.00 0.00 0.00 179.25 179.41 1a9x h ALA 6866N 1.62 0.41 -0.36 0.00 0.00 -0.45 0.11 119.26 120.58 1a9x h ALA 6866Ca 0.26 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.02 1a9x h ALA 6866Cb 0.08 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 1a9x h ALA 6866CO -0.07 0.14 -0.01 0.00 0.00 0.00 0.00 179.25 179.31 1a9x h ARG 6867N 0.33 0.08 -0.66 0.00 3.08 0.17 0.17 114.38 117.56 1a9x h ARG 6867Ca 0.09 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.20 1a9x h ARG 6867Cb 0.41 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.38 1a9x h ARG 6867CO 0.01 0.06 0.35 0.28 -1.07 0.00 0.00 179.97 179.60 1a9x h VAL 6868N 0.09 0.95 -0.50 2.04 2.07 0.15 -1.14 116.25 119.91 1a9x h VAL 6868Ca 0.17 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1a9x h VAL 6868Cb 0.24 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1a9x h VAL 6868CO -0.30 0.12 0.28 0.24 0.02 0.00 0.00 177.57 177.93 1a9x h MET 6869N 0.65 0.69 -0.00 1.57 2.86 0.90 -2.14 114.93 119.46 1a9x h MET 6869Ca 0.30 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 1a9x h MET 6869Cb 0.21 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1a9x h MET 6869CO -0.19 0.50 -0.08 0.00 1.06 0.00 0.00 176.91 178.20 1a9x n ALA 6870N -2.46 2.69 0.00 6.32 0.00 0.42 -4.02 120.51 123.46 1a9x n ALA 6870Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1a9x n ALA 6870Cb 0.09 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.17 1a9x n ALA 6870CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a9x n GLY 6871N 1.28 0.86 3.20 0.00 0.00 -0.80 -5.09 105.19 104.63 1a9x n GLY 6871Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1a9x n GLY 6871CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1a9x s LYS 6872N 0.00 2.50 0.78 1.61 2.20 -0.51 -4.98 119.74 121.34 1a9x s LYS 6872Ca 0.00 -1.88 -0.17 0.00 -0.36 0.00 0.00 55.97 53.56 1a9x s LYS 6872Cb 0.00 -3.90 -0.12 0.00 -1.51 0.00 0.00 37.83 32.30 1a9x s LYS 6872CO 0.00 -1.19 -0.28 -1.13 -0.36 0.00 0.00 175.35 172.39 1a9x n SER 6873N 4.70 -4.19 -0.14 1.43 3.41 -1.26 -3.40 113.62 114.17 1a9x n SER 6873Ca -0.05 0.42 -0.05 0.00 -0.26 0.00 0.00 58.87 58.94 1a9x n SER 6873Cb 0.41 -0.89 0.14 0.00 -0.26 0.00 0.00 64.21 63.60 1a9x n SER 6873CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1a9x h LEU 6874N -0.59 0.83 0.23 1.04 3.38 -1.96 0.48 115.31 118.73 1a9x h LEU 6874Ca -0.43 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1a9x h LEU 6874Cb 1.36 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 1a9x h LEU 6874CO 0.33 0.87 -0.25 0.00 0.09 0.00 0.00 178.44 179.48 1a9x h ALA 6875N 1.23 -0.50 -0.73 1.53 0.00 -1.90 0.83 119.26 119.71 1a9x h ALA 6875Ca 0.16 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1a9x h ALA 6875Cb 0.42 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1a9x h ALA 6875CO 0.01 -0.82 0.48 0.93 0.00 0.00 0.00 179.25 179.86 1a9x h GLU 6876N -0.52 0.86 0.00 0.00 5.08 -1.70 -1.26 114.58 117.03 1a9x h GLU 6876Ca -0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1a9x h GLU 6876Cb 0.49 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1a9x h GLU 6876CO -0.07 0.57 0.00 1.96 -1.00 0.00 0.00 179.01 180.47 1a9x h GLN 6877N 0.88 0.00 -1.17 2.33 4.20 0.10 -3.47 115.11 117.98 1a9x h GLN 6877Ca 0.29 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.93 1a9x h GLN 6877Cb 0.07 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.86 1a9x h GLN 6877CO -0.09 0.00 -0.11 0.41 -0.67 0.00 0.00 178.83 178.37 1a9x n GLY 6878N 1.00 0.42 2.70 3.46 0.00 0.28 -4.98 105.19 108.06 1a9x n GLY 6878Ca 0.04 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 1a9x n GLY 6878CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a9x s VAL 6879N -2.58 1.07 0.00 1.61 1.01 -0.63 -4.91 120.40 115.97 1a9x s VAL 6879Ca 0.05 -1.99 0.00 0.00 0.00 0.00 0.00 61.98 60.04 1a9x s VAL 6879Cb -0.02 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.58 1a9x s VAL 6879CO 0.06 -0.81 0.00 0.35 0.00 0.00 0.00 175.10 174.70 1a9x n THR 6880N 4.15 0.00 -4.66 3.92 -2.24 -1.26 -4.49 114.28 109.69 1a9x n THR 6880Ca 0.04 -0.12 -0.33 0.00 -2.27 0.00 0.00 64.05 61.37 1a9x n THR 6880Cb 0.38 0.71 -0.12 0.00 -2.10 0.00 0.00 70.33 69.20 1a9x n THR 6880CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1a9x s LYS 6881N -0.54 2.64 -0.08 -0.78 1.02 -1.26 -4.85 119.74 115.90 1a9x s LYS 6881Ca 0.00 -0.62 -0.30 0.00 0.02 0.00 0.00 55.97 55.07 1a9x s LYS 6881Cb 0.00 -2.52 -0.03 0.00 -0.52 0.00 0.00 37.83 34.76 1a9x s LYS 6881CO 0.00 0.64 1.34 -2.00 -0.92 0.00 0.00 175.35 174.42 1a9x s GLU 6882N -0.90 4.26 -0.04 1.68 2.12 -1.26 -4.95 118.70 119.62 1a9x s GLU 6882Ca 0.13 1.82 -0.24 0.00 0.36 0.00 0.00 54.97 57.04 1a9x s GLU 6882Cb -0.11 -3.70 -0.04 0.00 0.26 0.00 0.00 34.13 30.54 1a9x s GLU 6882CO 0.02 -0.63 0.75 0.08 -0.54 0.00 0.00 175.26 174.93 1a9x s VAL 6883N 3.00 4.97 -0.30 3.70 1.01 -1.26 -5.03 120.40 126.49 1a9x s VAL 6883Ca 0.60 1.55 0.03 0.00 0.00 0.00 0.00 61.98 64.16 1a9x s VAL 6883Cb -0.27 -4.09 0.08 0.00 0.00 0.00 0.00 36.38 32.11 1a9x s VAL 6883CO 0.22 0.26 -0.01 -0.63 0.00 0.00 0.00 175.10 174.94 1a9x s ILE 6884N 0.68 1.98 0.72 2.22 1.01 -1.26 -4.98 121.20 121.57 1a9x s ILE 6884Ca 0.40 -1.86 -0.16 0.00 0.00 0.00 0.00 60.65 59.03 1a9x s ILE 6884Cb -0.19 -2.32 0.03 0.00 0.01 0.00 0.00 42.46 40.00 1a9x s ILE 6884CO 0.20 -0.36 1.23 -2.65 0.00 0.00 0.00 174.94 173.36 1a9x n PRO 6885N 4.43 0.67 0.00 2.79 -0.02 -1.26 -4.93 135.00 136.68 1a9x n PRO 6885Ca -0.04 0.29 0.14 0.00 -2.02 0.00 0.00 63.50 61.87 1a9x n PRO 6885Cb 0.42 -2.47 0.51 0.00 -0.02 0.00 0.00 33.50 31.94 1a9x n PRO 6885CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1a9x n PRO 6886N -2.48 1.17 -4.45 0.52 -0.04 -1.26 -4.89 135.00 123.57 1a9x n PRO 6886Ca 0.15 -0.62 -0.22 0.00 -0.04 0.00 0.00 63.50 62.77 1a9x n PRO 6886Cb 0.49 -1.49 -0.11 0.00 -0.04 0.00 0.00 33.50 32.36 1a9x n PRO 6886CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1a9x s TYR 6887N -2.26 1.97 -0.06 0.54 -0.85 -1.26 -4.95 117.35 110.48 1a9x s TYR 6887Ca 0.32 -0.84 -0.08 0.00 -0.52 0.00 0.00 57.07 55.94 1a9x s TYR 6887Cb 0.20 -1.24 -0.05 0.00 0.38 0.00 0.00 41.96 41.26 1a9x s TYR 6887CO 0.43 0.13 0.23 0.71 -1.52 0.00 0.00 175.55 175.53 1a9x s TYR 6888N -3.16 3.62 -0.17 -3.49 2.02 0.32 -4.48 117.35 112.00 1a9x s TYR 6888Ca 0.33 0.63 0.00 0.00 -0.37 0.00 0.00 57.07 57.66 1a9x s TYR 6888Cb 0.07 -2.02 0.04 0.00 -0.40 0.00 0.00 41.96 39.65 1a9x s TYR 6888CO 0.14 0.69 -0.08 -1.12 -1.57 0.00 0.00 175.55 173.60 1a9x s SER 6889N -1.24 3.00 -0.08 2.29 0.01 0.54 0.57 113.70 118.79 1a9x s SER 6889Ca 0.20 -0.72 0.05 0.00 1.31 0.00 0.00 55.95 56.79 1a9x s SER 6889Cb -0.13 -1.06 -0.01 0.00 0.21 0.00 0.00 66.02 65.03 1a9x s SER 6889CO 0.09 -0.15 -0.23 -0.69 0.41 0.00 0.00 173.24 172.66 1a9x s VAL 6890N 1.53 2.16 -0.14 3.43 1.01 0.10 -1.04 120.40 127.44 1a9x s VAL 6890Ca 0.01 -1.01 -0.02 0.00 0.00 0.00 0.00 61.98 60.95 1a9x s VAL 6890Cb -0.15 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 1a9x s VAL 6890CO -0.08 0.56 -0.06 -0.75 0.00 0.00 0.00 175.10 174.77 1a9x s LYS 6891N 0.05 3.54 0.23 2.72 2.20 -0.32 0.16 119.74 128.30 1a9x s LYS 6891Ca -0.10 -0.56 0.09 0.00 -0.36 0.00 0.00 55.97 55.04 1a9x s LYS 6891Cb -0.15 -2.82 -0.05 0.00 -1.51 0.00 0.00 37.83 33.30 1a9x s LYS 6891CO 0.06 0.27 -0.16 -2.00 -0.36 0.00 0.00 175.35 173.15 1a9x s GLU 6892N 0.27 1.43 0.44 4.03 2.56 -0.86 -0.62 118.70 125.95 1a9x s GLU 6892Ca -0.05 -1.64 0.07 0.00 0.00 0.00 0.00 54.97 53.35 1a9x s GLU 6892Cb -0.14 -1.30 -0.03 0.00 2.00 0.00 0.00 34.13 34.66 1a9x s GLU 6892CO 0.04 0.22 0.22 0.14 -0.56 0.00 0.00 175.26 175.32 1a9x s VAL 6893N -2.85 2.14 -0.12 3.70 -7.23 -1.26 -0.41 120.40 114.37 1a9x s VAL 6893Ca 0.25 -1.66 0.02 0.00 -1.81 0.00 0.00 61.98 58.78 1a9x s VAL 6893Cb -0.02 -2.79 0.01 0.00 0.56 0.00 0.00 36.38 34.14 1a9x s VAL 6893CO 0.09 0.00 -0.19 0.68 -0.31 0.00 0.00 175.10 175.37 1a9x s VAL 6894N -2.64 1.83 -0.09 1.32 -7.23 -0.56 -4.89 120.40 108.13 1a9x s VAL 6894Ca 0.38 -0.85 -0.03 0.00 -1.81 0.00 0.00 61.98 59.67 1a9x s VAL 6894Cb 0.02 -1.63 -0.03 0.00 0.56 0.00 0.00 36.38 35.30 1a9x s VAL 6894CO 0.21 0.51 0.03 -0.76 -0.31 0.00 0.00 175.10 174.78 1a9x s LEU 6895N 0.83 3.73 -0.00 1.32 1.43 -1.26 -1.07 118.68 123.66 1a9x s LEU 6895Ca -0.08 0.20 0.01 0.00 -1.03 0.00 0.00 54.13 53.24 1a9x s LEU 6895Cb -0.16 -1.86 0.04 0.00 0.03 0.00 0.00 46.19 44.24 1a9x s LEU 6895CO -0.01 0.38 0.90 -0.81 0.23 0.00 0.00 176.35 177.05 1a9x n PRO 6896N 2.11 1.15 -0.28 1.29 -0.04 -1.26 -4.40 135.00 133.57 1a9x n PRO 6896Ca -0.19 -0.18 0.09 0.00 -0.04 0.00 0.00 63.50 63.19 1a9x n PRO 6896Cb 0.54 -1.19 0.24 0.00 -0.04 0.00 0.00 33.50 33.05 1a9x n PRO 6896CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1a9x h PHE 6897N 0.26 0.38 0.00 0.54 0.04 -1.91 0.85 116.94 117.11 1a9x h PHE 6897Ca 0.00 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1a9x h PHE 6897Cb 0.22 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.33 1a9x h PHE 6897CO 0.04 -0.11 0.14 -2.95 -0.60 0.00 0.00 178.31 174.84 1a9x h ASN 6898N 0.29 0.00 0.64 2.17 -1.07 -1.98 0.25 115.58 115.88 1a9x h ASN 6898Ca 0.49 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.86 1a9x h ASN 6898Cb 0.90 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.15 1a9x h ASN 6898CO -0.56 0.00 -0.45 0.29 0.07 0.00 0.00 177.43 176.78 1a9x n LYS 6899N -2.83 0.06 -3.32 4.14 4.76 0.29 -4.47 118.16 116.78 1a9x n LYS 6899Ca -0.02 0.02 -0.26 0.00 -2.87 0.00 0.00 58.31 55.18 1a9x n LYS 6899Cb 0.19 -1.54 -0.08 0.00 -1.84 0.00 0.00 35.03 31.76 1a9x n LYS 6899CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1a9x n PHE 6900N -1.62 -0.06 -0.34 2.13 3.72 0.89 -5.01 117.46 117.18 1a9x n PHE 6900Ca 0.05 -3.55 0.18 0.00 -0.05 0.00 0.00 57.45 54.08 1a9x n PHE 6900Cb 0.36 -0.15 0.39 0.00 -0.94 0.00 0.00 39.48 39.14 1a9x n PHE 6900CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1a9x h PRO 6901N 4.70 0.48 0.00 -1.08 0.13 -1.78 0.19 132.00 134.63 1a9x h PRO 6901Ca 0.16 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1a9x h PRO 6901Cb 0.87 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1a9x h PRO 6901CO 0.47 0.31 0.00 0.41 -0.23 0.00 0.00 178.00 178.97 1a9x n GLY 6902N -1.31 -0.26 3.93 1.56 0.00 -1.26 -4.65 105.19 103.19 1a9x n GLY 6902Ca 0.27 -0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.97 1a9x n GLY 6902CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a9x s VAL 6903N -2.15 5.31 -0.34 1.61 1.01 0.66 -4.36 120.40 122.13 1a9x s VAL 6903Ca 0.08 -0.47 -0.23 0.00 0.00 0.00 0.00 61.98 61.36 1a9x s VAL 6903Cb 0.04 -3.69 0.01 0.00 0.00 0.00 0.00 36.38 32.73 1a9x s VAL 6903CO 0.07 -0.02 0.80 -0.62 0.00 0.00 0.00 175.10 175.33 1a9x s ASP 6904N -2.92 6.60 -1.39 3.32 2.15 -1.26 -4.92 116.67 118.26 1a9x s ASP 6904Ca 0.36 0.48 -0.16 0.00 0.43 0.00 0.00 52.55 53.67 1a9x s ASP 6904Cb -0.12 -2.41 0.06 0.00 -0.30 0.00 0.00 42.92 40.15 1a9x s ASP 6904CO 0.28 -0.70 2.01 -0.81 -0.17 0.00 0.00 175.17 175.78 1a9x n PRO 6905N 6.37 3.02 -4.18 4.34 -0.04 -1.26 -4.90 135.00 138.35 1a9x n PRO 6905Ca 0.04 -2.92 -0.16 0.00 -0.04 0.00 0.00 63.50 60.41 1a9x n PRO 6905Cb 0.48 -3.37 -0.15 0.00 -0.04 0.00 0.00 33.50 30.43 1a9x n PRO 6905CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1a9x s LEU 6906N 2.99 1.98 0.47 1.53 2.96 -1.26 -4.95 118.68 122.39 1a9x s LEU 6906Ca 0.50 -0.10 -0.20 0.00 -0.22 0.00 0.00 54.13 54.10 1a9x s LEU 6906Cb 0.09 -0.30 -0.09 0.00 0.50 0.00 0.00 46.19 46.39 1a9x s LEU 6906CO -0.02 0.06 0.99 -0.76 -1.32 0.00 0.00 176.35 175.31 1a9x s LEU 6907N -0.09 3.86 0.00 -0.68 1.43 -1.26 -5.05 118.68 116.88 1a9x s LEU 6907Ca 0.02 1.77 0.00 0.00 -1.03 0.00 0.00 54.13 54.89 1a9x s LEU 6907Cb -0.03 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.65 1a9x s LEU 6907CO -0.00 -0.57 0.00 0.61 0.23 0.00 0.00 176.35 176.61 1a9x n GLY 6908N -0.60 1.62 0.06 -3.19 0.00 -1.26 -4.91 105.19 96.91 1a9x n GLY 6908Ca 0.08 -0.88 0.08 0.00 0.00 0.00 0.00 46.02 45.30 1a9x n GLY 6908CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a9x n PRO 6909N 0.00 0.08 -4.51 1.61 -0.04 -0.63 0.70 135.00 132.21 1a9x n PRO 6909Ca 0.00 0.40 -0.34 0.00 -0.04 0.00 0.00 63.50 63.52 1a9x n PRO 6909Cb 0.00 -1.67 -0.11 0.00 -0.04 0.00 0.00 33.50 31.68 1a9x n PRO 6909CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1a9x s GLU 6910N -3.17 3.00 0.00 0.54 2.12 -1.26 -4.54 118.70 115.38 1a9x s GLU 6910Ca 0.04 -0.50 -0.23 0.00 0.36 0.00 0.00 54.97 54.64 1a9x s GLU 6910Cb 0.07 -2.71 -0.05 0.00 0.26 0.00 0.00 34.13 31.70 1a9x s GLU 6910CO 0.24 0.59 0.67 1.41 -0.54 0.00 0.00 175.26 177.64 1a9x s MET 6911N -0.61 4.41 0.00 4.30 -2.45 -1.26 -4.74 119.30 118.95 1a9x s MET 6911Ca 0.09 0.88 0.00 0.00 -1.25 0.00 0.00 55.69 55.41 1a9x s MET 6911Cb -0.12 -3.37 0.00 0.00 1.25 0.00 0.00 34.83 32.59 1a9x s MET 6911CO 0.02 0.28 0.12 0.54 1.05 0.00 0.00 175.02 177.03 1a9x n ARG 6912N 2.95 1.91 -2.15 4.11 3.00 -1.26 -4.86 116.66 120.36 1a9x n ARG 6912Ca -0.04 -0.12 -0.33 0.00 -0.01 0.00 0.00 57.85 57.34 1a9x n ARG 6912Cb 0.51 -0.50 0.00 0.00 0.00 0.00 0.00 32.46 32.47 1a9x n ARG 6912CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1a9x s SER 6913N -0.31 5.83 -0.04 0.55 1.04 -1.26 -4.20 113.70 115.31 1a9x s SER 6913Ca 0.00 1.90 0.14 0.00 0.48 0.00 0.00 55.95 58.47 1a9x s SER 6913Cb 0.00 -2.55 -0.22 0.00 0.10 0.00 0.00 66.02 63.35 1a9x s SER 6913CO 0.00 -1.13 0.28 0.35 0.98 0.00 0.00 173.24 173.72 1a9x n THR 6914N -1.75 0.16 -3.92 2.02 -2.24 -0.23 -4.42 114.28 103.90 1a9x n THR 6914Ca 0.09 -0.38 -0.12 0.00 -2.27 0.00 0.00 64.05 61.37 1a9x n THR 6914Cb 0.52 0.02 -0.01 0.00 -2.10 0.00 0.00 70.33 68.76 1a9x n THR 6914CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a9x n GLY 6915N 1.74 1.88 3.20 3.38 0.00 -0.99 -4.65 105.19 109.75 1a9x n GLY 6915Ca -0.06 -1.49 -0.09 0.00 0.00 0.00 0.00 46.02 44.38 1a9x n GLY 6915CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1a9x s GLU 6916N -2.54 0.87 0.17 1.61 -1.05 -1.26 -1.50 118.70 115.00 1a9x s GLU 6916Ca 0.23 -1.14 0.02 0.00 -0.15 0.00 0.00 54.97 53.94 1a9x s GLU 6916Cb -0.02 0.31 -0.05 0.00 -0.44 0.00 0.00 34.13 33.93 1a9x s GLU 6916CO 0.17 -0.27 -0.02 0.14 0.95 0.00 0.00 175.26 176.23 1a9x s VAL 6917N -3.93 0.80 -0.01 1.83 -7.23 0.46 -4.35 120.40 107.98 1a9x s VAL 6917Ca 0.11 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.34 1a9x s VAL 6917Cb 0.06 -2.08 -0.01 0.00 0.56 0.00 0.00 36.38 34.90 1a9x s VAL 6917CO -0.06 -0.52 -0.17 -0.32 -0.31 0.00 0.00 175.10 173.71 1a9x s MET 6918N -3.88 1.38 -0.05 4.82 0.00 0.22 -2.03 119.30 119.76 1a9x s MET 6918Ca 0.23 -0.65 0.06 0.00 0.00 0.00 0.00 55.69 55.33 1a9x s MET 6918Cb 0.05 -1.35 -0.01 0.00 0.00 0.00 0.00 34.83 33.52 1a9x s MET 6918CO 0.03 0.37 -0.23 0.20 0.00 0.00 0.00 175.02 175.39 1a9x s GLY 6919N -0.50 1.20 -0.09 2.11 0.00 0.41 -4.53 107.32 105.92 1a9x s GLY 6919Ca 0.06 -0.99 0.04 0.00 0.00 0.00 0.00 44.72 43.84 1a9x s GLY 6919CO -0.00 -0.65 -0.24 0.14 0.00 0.00 0.00 173.10 172.34 1a9x s VAL 6920N -0.23 2.01 0.22 1.40 1.01 -1.26 -0.72 120.40 122.83 1a9x s VAL 6920Ca -0.00 -1.01 -0.16 0.00 0.00 0.00 0.00 61.98 60.81 1a9x s VAL 6920Cb -0.12 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.54 1a9x s VAL 6920CO 0.02 0.55 0.52 -0.83 0.00 0.00 0.00 175.10 175.37 1a9x s GLY 6921N 0.22 0.15 0.32 4.51 0.00 0.19 -4.54 107.32 108.18 1a9x s GLY 6921Ca -0.15 -0.50 0.13 0.00 0.00 0.00 0.00 44.72 44.21 1a9x s GLY 6921CO 0.07 -0.39 1.69 3.21 0.00 0.00 0.00 173.10 177.68 1a9x h ARG 6922N 2.21 0.00 -5.42 2.90 3.08 -1.92 0.92 114.38 116.15 1a9x h ARG 6922Ca -0.26 0.00 -0.42 0.00 0.07 0.00 0.00 59.98 59.37 1a9x h ARG 6922Cb 1.25 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 31.11 1a9x h ARG 6922CO 0.35 0.50 -0.76 0.95 -1.07 0.00 0.00 179.97 179.94 1a9x s THR 6923N -3.73 1.29 0.29 2.04 -4.23 -1.26 -4.59 115.64 105.45 1a9x s THR 6923Ca -0.01 -1.64 0.03 0.00 -1.18 0.00 0.00 61.69 58.89 1a9x s THR 6923Cb 0.13 -1.45 0.28 0.00 1.34 0.00 0.00 72.50 72.80 1a9x s THR 6923CO 0.73 -0.38 1.79 0.15 -0.54 0.00 0.00 174.62 176.38 1a9x h PHE 6924N 3.67 1.03 -0.75 3.99 3.57 -1.94 0.45 116.94 126.97 1a9x h PHE 6924Ca -0.40 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.14 1a9x h PHE 6924Cb 1.19 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 39.58 1a9x h PHE 6924CO 0.65 0.29 0.49 0.00 -2.23 0.00 0.00 178.31 177.51 1a9x h ALA 6925N 1.59 0.95 -0.42 2.41 0.00 -1.95 0.11 119.26 121.95 1a9x h ALA 6925Ca 0.53 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 55.24 1a9x h ALA 6925Cb 0.72 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1a9x h ALA 6925CO -0.34 0.36 -0.31 1.49 0.00 0.00 0.00 179.25 180.45 1a9x h GLU 6926N 1.01 0.95 -0.41 0.00 4.81 -1.43 -0.83 114.58 118.69 1a9x h GLU 6926Ca 0.27 -0.46 -0.02 0.00 -0.13 0.00 0.00 59.36 59.02 1a9x h GLU 6926Cb -0.12 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 1a9x h GLU 6926CO -0.06 1.13 0.17 0.00 -0.73 0.00 0.00 179.01 179.51 1a9x h ALA 6927N 0.80 0.53 -0.82 2.92 0.00 -0.47 -0.87 119.26 121.36 1a9x h ALA 6927Ca 0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1a9x h ALA 6927Cb 0.90 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1a9x h ALA 6927CO 0.08 0.13 0.44 0.35 0.00 0.00 0.00 179.25 180.25 1a9x h PHE 6928N 0.52 1.13 -0.37 0.00 3.57 -0.74 -0.65 116.94 120.40 1a9x h PHE 6928Ca 0.14 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.52 1a9x h PHE 6928Cb 0.18 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 1a9x h PHE 6928CO -0.00 0.80 -0.11 0.00 -2.23 0.00 0.00 178.31 176.76 1a9x h ALA 6929N 1.23 1.12 -0.17 2.41 0.00 -0.81 0.37 119.26 123.41 1a9x h ALA 6929Ca 0.29 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1a9x h ALA 6929Cb 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1a9x h ALA 6929CO -0.04 0.55 -0.32 0.87 0.00 0.00 0.00 179.25 180.31 1a9x h LYS 6930N 0.59 0.51 -0.95 0.00 1.57 -0.38 -2.67 116.57 115.24 1a9x h LYS 6930Ca 0.11 -0.33 0.01 0.00 -1.87 0.00 0.00 60.65 58.57 1a9x h LYS 6930Cb 0.54 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.84 1a9x h LYS 6930CO 0.03 0.93 0.63 0.00 -0.57 0.00 0.00 179.45 180.47 1a9x h ALA 6931N 0.58 1.34 0.03 3.86 0.00 -0.88 0.13 119.26 124.32 1a9x h ALA 6931Ca 0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1a9x h ALA 6931Cb 0.91 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1a9x h ALA 6931CO 0.07 0.60 -0.01 0.37 0.00 0.00 0.00 179.25 180.28 1a9x h GLN 6932N 1.26 -0.04 -0.74 0.00 4.15 -0.18 -1.55 115.11 118.01 1a9x h GLN 6932Ca 0.35 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.75 1a9x h GLN 6932Cb -0.12 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.55 1a9x h GLN 6932CO -0.08 0.04 0.36 1.25 -1.93 0.00 0.00 178.83 178.46 1a9x h LEU 6933N -0.10 0.95 -1.40 -2.39 5.85 -1.19 -2.26 115.31 114.77 1a9x h LEU 6933Ca -0.00 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.63 1a9x h LEU 6933Cb 0.09 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 1a9x h LEU 6933CO 0.01 0.80 0.41 1.23 -0.34 0.00 0.00 178.44 180.55 1a9x h GLY 6934N 1.10 0.87 -0.20 3.75 0.00 -0.41 -2.15 103.07 106.03 1a9x h GLY 6934Ca 0.26 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1a9x h GLY 6934CO -0.03 0.31 0.00 -1.14 0.00 0.00 0.00 176.54 175.67 1a9x n SER 6935N -4.45 0.26 -1.09 0.19 3.41 -0.61 -4.75 113.62 106.58 1a9x n SER 6935Ca 0.06 -2.00 -0.10 0.00 -0.26 0.00 0.00 58.87 56.57 1a9x n SER 6935Cb 0.06 -0.06 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 1a9x n SER 6935CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1a9x n ASN 6936N -0.37 -3.41 -4.77 4.04 4.05 -0.81 -4.88 115.26 109.11 1a9x n ASN 6936Ca 0.01 0.02 -0.36 0.00 0.45 0.00 0.00 54.58 54.70 1a9x n ASN 6936Cb 0.05 -2.59 -0.00 0.00 1.23 0.00 0.00 39.78 38.47 1a9x n ASN 6936CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 1a9x s SER 6937N -2.59 5.97 -0.11 1.20 0.15 -1.12 -4.96 113.70 112.24 1a9x s SER 6937Ca 0.00 2.24 0.17 0.00 0.70 0.00 0.00 55.95 59.07 1a9x s SER 6937Cb 0.00 -2.59 0.66 0.00 -1.71 0.00 0.00 66.02 62.38 1a9x s SER 6937CO 0.00 -1.05 1.58 0.35 1.20 0.00 0.00 173.24 175.32 1a9x n THR 6938N -0.85 1.82 -1.64 6.45 -2.24 -1.26 -4.85 114.28 111.70 1a9x n THR 6938Ca 0.09 -1.26 -0.47 0.00 -2.27 0.00 0.00 64.05 60.15 1a9x n THR 6938Cb 0.49 0.12 -0.04 0.00 -2.10 0.00 0.00 70.33 68.80 1a9x n THR 6938CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1a9x n MET 6939N 0.89 1.81 -4.05 -0.78 0.00 -1.26 -4.45 117.12 109.28 1a9x n MET 6939Ca 0.24 0.65 -0.22 0.00 0.00 0.00 0.00 57.70 58.37 1a9x n MET 6939Cb 0.85 -2.32 -0.05 0.00 0.00 0.00 0.00 33.22 31.69 1a9x n MET 6939CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 1a9x s LYS 6940N 0.22 2.55 0.00 2.12 1.02 -1.26 -5.04 119.74 119.36 1a9x s LYS 6940Ca 0.75 -1.38 0.21 0.00 0.02 0.00 0.00 55.97 55.57 1a9x s LYS 6940Cb -0.74 -2.32 0.55 0.00 -0.52 0.00 0.00 37.83 34.80 1a9x s LYS 6940CO 0.45 0.19 1.45 1.63 -0.92 0.00 0.00 175.35 178.15 1a9x n LYS 6941N -1.18 2.16 -4.08 1.68 5.02 -1.26 -4.93 118.16 115.57 1a9x n LYS 6941Ca -0.04 -1.76 -0.15 0.00 -2.02 0.00 0.00 58.31 54.34 1a9x n LYS 6941Cb 0.60 -1.45 -0.03 0.00 -0.02 0.00 0.00 35.03 34.13 1a9x n LYS 6941CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1a9x s HIS 6942N -1.58 1.09 0.00 2.13 -3.43 -1.26 -4.90 115.29 107.34 1a9x s HIS 6942Ca 0.35 -1.33 0.00 0.00 -0.80 0.00 0.00 55.06 53.28 1a9x s HIS 6942Cb 0.20 -0.04 0.00 0.00 -1.43 0.00 0.00 32.58 31.31 1a9x s HIS 6942CO 0.28 -1.21 0.00 0.41 -2.00 0.00 0.00 174.74 172.23 1a9x n GLY 6943N -0.60 -0.48 3.50 -1.38 0.00 -1.26 -4.77 105.19 100.19 1a9x n GLY 6943Ca 0.01 -2.15 -0.33 0.00 0.00 0.00 0.00 46.02 43.54 1a9x n GLY 6943CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a9x s ARG 6944N 0.00 2.99 0.14 1.61 3.52 -1.26 -1.17 118.95 124.78 1a9x s ARG 6944Ca 0.00 -0.61 0.07 0.00 -0.13 0.00 0.00 55.73 55.06 1a9x s ARG 6944Cb 0.00 -2.61 -0.04 0.00 -1.56 0.00 0.00 34.95 30.74 1a9x s ARG 6944CO 0.00 0.48 -0.02 0.00 -0.81 0.00 0.00 175.30 174.95 1a9x s ALA 6945N -0.34 3.18 -0.16 6.12 0.00 -0.51 -0.71 121.76 129.34 1a9x s ALA 6945Ca 0.04 -1.28 -0.01 0.00 0.00 0.00 0.00 51.96 50.71 1a9x s ALA 6945Cb -0.13 -1.02 -0.01 0.00 0.00 0.00 0.00 23.12 21.96 1a9x s ALA 6945CO 0.02 0.57 -0.11 -1.17 0.00 0.00 0.00 175.76 175.07 1a9x s LEU 6946N -2.64 2.72 -0.17 0.00 2.96 -0.08 -1.94 118.68 119.53 1a9x s LEU 6946Ca 0.26 -0.38 -0.01 0.00 -0.22 0.00 0.00 54.13 53.77 1a9x s LEU 6946Cb -0.10 -1.64 -0.01 0.00 0.50 0.00 0.00 46.19 44.94 1a9x s LEU 6946CO 0.18 0.09 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.43 1a9x s LEU 6947N 0.81 2.72 -0.35 -0.68 1.02 0.08 -0.96 118.68 121.33 1a9x s LEU 6947Ca -0.04 -0.39 0.01 0.00 0.02 0.00 0.00 54.13 53.74 1a9x s LEU 6947Cb -0.15 -1.65 0.14 0.00 0.02 0.00 0.00 46.19 44.56 1a9x s LEU 6947CO 0.01 0.08 0.31 -0.55 0.02 0.00 0.00 176.35 176.21 1a9x s SER 6948N 0.89 1.83 0.26 2.29 0.15 -0.66 -2.82 113.70 115.64 1a9x s SER 6948Ca -0.03 -1.55 0.12 0.00 0.70 0.00 0.00 55.95 55.19 1a9x s SER 6948Cb -0.15 0.27 -0.05 0.00 -1.71 0.00 0.00 66.02 64.39 1a9x s SER 6948CO 0.00 -0.31 -0.20 0.68 1.20 0.00 0.00 173.24 174.61 1a9x s VAL 6949N 1.57 2.48 1.22 4.45 -7.23 -1.26 -2.16 120.40 119.47 1a9x s VAL 6949Ca 0.15 -2.32 -0.17 0.00 -1.81 0.00 0.00 61.98 57.83 1a9x s VAL 6949Cb -0.17 -2.28 0.29 0.00 0.56 0.00 0.00 36.38 34.78 1a9x s VAL 6949CO -0.10 -0.34 1.03 0.00 -0.31 0.00 0.00 175.10 175.37 1a9x s ARG 6950N -3.35 -1.39 0.08 4.82 1.70 -1.04 -4.68 118.95 115.10 1a9x s ARG 6950Ca 0.28 0.35 -0.35 0.00 -0.47 0.00 0.00 55.73 55.55 1a9x s ARG 6950Cb -0.06 -1.54 -0.18 0.00 -0.57 0.00 0.00 34.95 32.61 1a9x s ARG 6950CO 0.14 -3.91 1.59 0.93 -1.08 0.00 0.00 175.30 172.97 1a9x h GLU 6951N -2.74 -0.98 -0.44 3.89 4.39 -1.98 0.38 114.58 117.11 1a9x h GLU 6951Ca -0.52 0.07 0.13 0.00 0.34 0.00 0.00 59.36 59.38 1a9x h GLU 6951Cb 1.33 0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 30.18 1a9x h GLU 6951CO 0.42 -0.66 0.57 0.78 -1.16 0.00 0.00 179.01 178.96 1a9x h GLY 6952N -1.02 0.00 0.04 -3.84 0.00 -2.01 -0.21 103.07 96.03 1a9x h GLY 6952Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1a9x h GLY 6952CO 0.07 0.00 -1.83 1.22 0.00 0.00 0.00 176.54 176.00 1a9x n ASP 6953N -3.47 0.16 0.06 0.19 8.00 -0.89 -4.52 116.55 116.07 1a9x n ASP 6953Ca 0.08 -0.11 0.21 0.00 0.71 0.00 0.00 54.79 55.68 1a9x n ASP 6953Cb 0.74 1.81 0.72 0.00 -0.02 0.00 0.00 41.12 44.37 1a9x n ASP 6953CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1a9x h LYS 6954N 0.00 0.00 0.04 -1.24 1.57 0.97 -0.05 116.57 117.87 1a9x h LYS 6954Ca 0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1a9x h LYS 6954Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.25 1a9x h LYS 6954CO 0.00 0.00 -0.36 1.49 -0.57 0.00 0.00 179.45 180.01 1a9x h GLU 6955N 0.00 0.08 0.00 3.15 4.81 -1.80 -3.37 114.58 117.46 1a9x h GLU 6955Ca 0.23 -0.14 -0.08 0.00 -0.13 0.00 0.00 59.36 59.23 1a9x h GLU 6955Cb 1.26 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.68 1a9x h GLU 6955CO -0.00 1.07 -0.39 0.00 -0.73 0.00 0.00 179.01 178.96 1a9x h ARG 6956N -0.82 0.00 -0.33 1.92 3.08 -1.66 -3.27 114.38 113.30 1a9x h ARG 6956Ca -0.08 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.07 1a9x h ARG 6956Cb 1.22 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 1a9x h ARG 6956CO 0.02 0.39 0.32 -0.24 -1.07 0.00 0.00 179.97 179.39 1a9x h VAL 6957N 0.00 0.51 -0.53 2.04 3.04 -1.19 -1.66 116.25 118.46 1a9x h VAL 6957Ca -0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1a9x h VAL 6957Cb 1.20 0.75 -0.03 0.00 -2.01 0.00 0.00 31.29 31.20 1a9x h VAL 6957CO 0.05 0.00 0.34 0.58 -1.01 0.00 0.00 177.57 177.53 1a9x h VAL 6958N 0.00 1.14 -0.55 1.51 2.07 -1.76 0.35 116.25 119.01 1a9x h VAL 6958Ca 0.16 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.33 1a9x h VAL 6958Cb 0.80 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1a9x h VAL 6958CO -0.00 0.14 0.11 -0.78 0.02 0.00 0.00 177.57 177.06 1a9x h ASP 6959N 0.71 0.86 -0.75 0.57 3.58 -1.55 -1.09 116.42 118.75 1a9x h ASP 6959Ca 0.19 -0.25 -0.02 0.00 0.42 0.00 0.00 57.03 57.37 1a9x h ASP 6959Cb -0.06 -0.23 -0.04 0.00 1.72 0.00 0.00 39.33 40.73 1a9x h ASP 6959CO -0.04 0.89 0.39 0.25 -2.88 0.00 0.00 179.24 177.85 1a9x h LEU 6960N 0.79 0.96 -0.73 2.28 5.85 -1.16 -1.92 115.31 121.39 1a9x h LEU 6960Ca 0.17 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 1a9x h LEU 6960Cb 0.38 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1a9x h LEU 6960CO 0.01 0.80 0.30 0.00 -0.34 0.00 0.00 178.44 179.20 1a9x h ALA 6961N 1.36 0.95 -0.13 1.25 0.00 0.04 -1.74 119.26 120.97 1a9x h ALA 6961Ca 0.27 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1a9x h ALA 6961Cb 0.07 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1a9x h ALA 6961CO -0.04 0.56 -0.00 0.00 0.00 0.00 0.00 179.25 179.77 1a9x h ALA 6962N 1.14 0.11 -0.56 0.00 0.00 -0.74 0.21 119.26 119.43 1a9x h ALA 6962Ca 0.24 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.27 1a9x h ALA 6962Cb 0.20 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1a9x h ALA 6962CO -0.02 -0.45 0.22 0.87 0.00 0.00 0.00 179.25 179.87 1a9x h LYS 6963N 0.04 0.41 -0.75 0.00 1.57 -0.93 0.50 116.57 117.42 1a9x h LYS 6963Ca 0.06 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1a9x h LYS 6963Cb 0.07 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 1a9x h LYS 6963CO -0.11 0.27 0.47 -0.07 -0.57 0.00 0.00 179.45 179.45 1a9x h LEU 6964N 0.42 0.87 -0.31 2.94 3.38 -0.77 0.33 115.31 122.17 1a9x h LEU 6964Ca 0.27 -0.03 -0.19 0.00 0.09 0.00 0.00 57.88 58.01 1a9x h LEU 6964Cb 0.28 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1a9x h LEU 6964CO -0.25 0.65 -0.65 -0.07 0.09 0.00 0.00 178.44 178.20 1a9x h LEU 6965N 1.02 0.83 -2.16 1.67 3.38 0.66 -1.55 115.31 119.16 1a9x h LEU 6965Ca 0.27 -0.49 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1a9x h LEU 6965Cb -0.08 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.42 1a9x h LEU 6965CO -0.06 1.27 -0.05 0.50 0.09 0.00 0.00 178.44 180.19 1a9x h LYS 6966N 0.53 0.00 -0.00 1.13 3.64 0.11 0.46 116.57 122.44 1a9x h LYS 6966Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1a9x h LYS 6966Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1a9x h LYS 6966CO 0.13 0.05 -0.13 0.94 -2.27 0.00 0.00 179.45 178.17 1a9x n GLN 6967N -3.99 0.07 -0.28 1.90 -0.06 -0.01 -4.93 117.38 110.08 1a9x n GLN 6967Ca -0.03 -0.02 0.00 0.00 -2.00 0.00 0.00 57.00 54.96 1a9x n GLN 6967Cb 0.14 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 24.82 1a9x n GLN 6967CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1a9x n GLY 6968N 1.47 0.84 3.88 1.69 0.00 0.15 -4.88 105.19 108.35 1a9x n GLY 6968Ca 0.08 -0.21 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 1a9x n GLY 6968CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a9x s PHE 6969N -2.00 3.56 0.17 1.61 0.40 -0.64 -4.60 117.98 116.48 1a9x s PHE 6969Ca 0.00 1.05 0.04 0.00 -0.60 0.00 0.00 56.93 57.42 1a9x s PHE 6969Cb 0.00 -2.49 -0.04 0.00 0.51 0.00 0.00 43.02 41.00 1a9x s PHE 6969CO 0.00 -0.37 0.23 -1.21 0.70 0.00 0.00 175.22 174.56 1a9x s GLU 6970N -4.64 3.19 0.12 0.44 2.02 -0.32 -4.49 118.70 115.02 1a9x s GLU 6970Ca 0.51 -0.76 0.10 0.00 0.02 0.00 0.00 54.97 54.84 1a9x s GLU 6970Cb -0.10 -2.80 -0.04 0.00 0.10 0.00 0.00 34.13 31.29 1a9x s GLU 6970CO 0.44 0.49 -0.23 -0.51 0.02 0.00 0.00 175.26 175.46 1a9x s LEU 6971N -3.32 2.32 0.01 1.80 1.43 -1.26 -1.42 118.68 118.25 1a9x s LEU 6971Ca 0.33 -0.73 0.05 0.00 -1.03 0.00 0.00 54.13 52.74 1a9x s LEU 6971Cb -0.10 -1.03 -0.02 0.00 0.03 0.00 0.00 46.19 45.07 1a9x s LEU 6971CO 0.26 0.11 -0.14 -1.81 0.23 0.00 0.00 176.35 175.00 1a9x s ASP 6972N -2.05 1.68 -0.03 2.29 1.11 -0.82 -0.37 116.67 118.49 1a9x s ASP 6972Ca 0.11 -0.35 -0.08 0.00 0.18 0.00 0.00 52.55 52.41 1a9x s ASP 6972Cb -0.10 -0.15 0.01 0.00 1.07 0.00 0.00 42.92 43.75 1a9x s ASP 6972CO 0.05 0.11 0.17 0.00 1.18 0.00 0.00 175.17 176.69 1a9x s ALA 6973N -0.57 -0.43 0.66 5.23 0.00 0.29 -0.74 121.76 126.22 1a9x s ALA 6973Ca 0.04 0.18 -0.11 0.00 0.00 0.00 0.00 51.96 52.06 1a9x s ALA 6973Cb -0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 1a9x s ALA 6973CO 0.00 -0.17 1.06 0.95 0.00 0.00 0.00 175.76 177.61 1a9x s THR 6974N -0.79 4.03 0.00 0.00 -4.23 -1.13 -1.06 115.64 112.47 1a9x s THR 6974Ca -0.09 0.65 0.00 0.00 -1.18 0.00 0.00 61.69 61.07 1a9x s THR 6974Cb -0.05 -3.65 0.00 0.00 1.34 0.00 0.00 72.50 70.14 1a9x s THR 6974CO 0.01 -0.86 0.33 1.57 -0.54 0.00 0.00 174.62 175.14 1a9x n HIS 6975N -2.88 0.00 -0.34 3.99 -0.00 -1.26 -0.34 115.22 114.39 1a9x n HIS 6975Ca 0.06 0.00 0.13 0.00 0.46 0.00 0.00 57.72 58.38 1a9x n HIS 6975Cb 0.56 -0.09 0.35 0.00 -0.12 0.00 0.00 29.99 30.69 1a9x n HIS 6975CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 1a9x h GLY 6976N 0.00 1.62 1.01 1.57 0.00 -1.96 -0.28 103.07 105.02 1a9x h GLY 6976Ca 0.00 -0.34 -0.15 0.00 0.00 0.00 0.00 47.33 46.84 1a9x h GLY 6976CO 0.00 -0.03 -0.46 -0.84 0.00 0.00 0.00 176.54 175.21 1a9x h THR 6977N 0.73 1.31 -0.91 4.70 2.02 -1.71 -2.92 112.91 116.12 1a9x h THR 6977Ca 0.55 -1.67 0.03 0.00 0.77 0.00 0.00 66.41 66.09 1a9x h THR 6977Cb 0.91 1.80 -0.05 0.00 -1.74 0.00 0.00 68.15 69.07 1a9x h THR 6977CO -0.33 0.53 0.60 0.00 0.37 0.00 0.00 175.52 176.68 1a9x h ALA 6978N 0.62 1.41 0.08 6.16 0.00 0.41 -1.76 119.26 126.18 1a9x h ALA 6978Ca 0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1a9x h ALA 6978Cb 1.06 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1a9x h ALA 6978CO 0.10 0.51 -0.04 0.82 0.00 0.00 0.00 179.25 180.64 1a9x h ILE 6979N 1.16 0.94 -0.73 0.00 1.08 -1.01 -1.73 117.51 117.22 1a9x h ILE 6979Ca 0.36 -0.06 -0.00 0.00 -0.39 0.00 0.00 64.86 64.77 1a9x h ILE 6979Cb -0.01 0.98 -0.04 0.00 -3.07 0.00 0.00 36.82 34.68 1a9x h ILE 6979CO -0.10 0.02 0.46 0.58 -0.69 0.00 0.00 178.15 178.41 1a9x h VAL 6980N -0.14 1.20 0.26 1.67 2.07 -1.28 -0.59 116.25 119.45 1a9x h VAL 6980Ca -0.01 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1a9x h VAL 6980Cb 0.11 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 1a9x h VAL 6980CO 0.02 0.21 -0.12 -0.07 0.02 0.00 0.00 177.57 177.62 1a9x h LEU 6981N 1.00 -0.30 -0.72 2.57 3.38 -1.23 -2.95 115.31 117.06 1a9x h LEU 6981Ca 0.27 -0.13 0.11 0.00 0.09 0.00 0.00 57.88 58.21 1a9x h LEU 6981Cb -0.06 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 40.69 1a9x h LEU 6981CO -0.05 -0.03 0.32 1.23 0.09 0.00 0.00 178.44 180.00 1a9x h GLY 6982N -0.56 1.08 1.86 0.83 0.00 0.14 1.27 103.07 107.69 1a9x h GLY 6982Ca -0.04 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1a9x h GLY 6982CO 0.06 -0.01 0.00 1.18 0.00 0.00 0.00 176.54 177.77 1a9x n GLU 6983N -4.93 0.01 -0.06 4.80 1.02 -0.23 -1.13 120.64 120.11 1a9x n GLU 6983Ca 0.12 0.40 0.04 0.00 -0.02 0.00 0.00 57.16 57.70 1a9x n GLU 6983Cb 0.33 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.32 1a9x n GLU 6983CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a9x n ALA 6984N -1.43 2.30 -0.01 0.62 0.00 0.41 -4.92 120.51 117.48 1a9x n ALA 6984Ca 0.01 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.62 1a9x n ALA 6984Cb 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.21 1a9x n ALA 6984CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a9x n GLY 6985N 0.28 0.53 3.32 0.00 0.00 -0.29 -5.04 105.19 104.00 1a9x n GLY 6985Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1a9x n GLY 6985CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a9x s ILE 6986N -2.01 3.94 -0.72 -0.61 1.01 0.44 -4.91 121.20 118.33 1a9x s ILE 6986Ca 0.00 -0.83 -0.11 0.00 0.00 0.00 0.00 60.65 59.71 1a9x s ILE 6986Cb 0.00 -3.10 0.19 0.00 0.01 0.00 0.00 42.46 39.56 1a9x s ILE 6986CO 0.00 -0.01 0.62 0.20 0.00 0.00 0.00 174.94 175.75 1a9x s ASN 6987N 1.47 6.22 1.04 3.58 0.02 -1.26 0.86 114.94 126.87 1a9x s ASN 6987Ca 0.01 -2.58 -0.04 0.00 -1.02 0.00 0.00 52.86 49.24 1a9x s ASN 6987Cb -0.18 -2.10 0.05 0.00 0.02 0.00 0.00 41.25 39.04 1a9x s ASN 6987CO 0.03 -0.56 0.19 -0.81 0.02 0.00 0.00 177.10 175.97 1a9x n PRO 6988N 4.05 -1.34 -3.41 -0.60 -0.04 -1.26 -4.98 135.00 127.42 1a9x n PRO 6988Ca 0.08 -0.30 -0.38 0.00 -0.04 0.00 0.00 63.50 62.85 1a9x n PRO 6988Cb 0.43 -0.28 -0.08 0.00 -0.04 0.00 0.00 33.50 33.53 1a9x n PRO 6988CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1a9x s ARG 6989N -3.43 4.10 0.29 0.54 3.52 0.51 -4.87 118.95 119.60 1a9x s ARG 6989Ca 0.12 0.10 -0.29 0.00 -0.13 0.00 0.00 55.73 55.53 1a9x s ARG 6989Cb -0.01 -3.58 -0.10 0.00 -1.56 0.00 0.00 34.95 29.70 1a9x s ARG 6989CO 0.09 -0.13 1.20 -1.17 -0.81 0.00 0.00 175.30 174.48 1a9x s LEU 6990N 1.60 4.49 0.05 -0.88 2.96 -1.26 -0.54 118.68 125.10 1a9x s LEU 6990Ca 0.17 2.43 0.03 0.00 -0.22 0.00 0.00 54.13 56.54 1a9x s LEU 6990Cb -0.15 -3.63 -0.03 0.00 0.50 0.00 0.00 46.19 42.88 1a9x s LEU 6990CO 0.08 -0.33 -0.10 0.54 -1.32 0.00 0.00 176.35 175.23 1a9x s VAL 6991N -0.98 0.72 0.09 1.68 0.11 -0.22 -4.85 120.40 116.95 1a9x s VAL 6991Ca 0.48 -1.14 -0.19 0.00 -2.93 0.00 0.00 61.98 58.19 1a9x s VAL 6991Cb -0.35 -0.75 -0.07 0.00 -1.53 0.00 0.00 36.38 33.68 1a9x s VAL 6991CO 0.45 -0.32 0.59 0.20 -3.33 0.00 0.00 175.10 172.68 1a9x s ASN 6992N -1.61 7.07 1.00 3.54 0.02 -1.26 -3.99 114.94 119.71 1a9x s ASN 6992Ca -0.07 1.29 -0.16 0.00 -1.02 0.00 0.00 52.86 52.89 1a9x s ASN 6992Cb -0.10 -2.37 0.21 0.00 0.02 0.00 0.00 41.25 39.01 1a9x s ASN 6992CO 0.01 0.25 1.26 -0.54 0.02 0.00 0.00 177.10 178.10 1a9x s LYS 6993N -1.22 0.34 0.31 -0.60 1.02 -1.26 -2.34 119.74 115.99 1a9x s LYS 6993Ca 0.31 -0.27 -0.00 0.00 0.02 0.00 0.00 55.97 56.03 1a9x s LYS 6993Cb -0.19 -1.80 0.48 0.00 -0.52 0.00 0.00 37.83 35.80 1a9x s LYS 6993CO 0.20 -2.64 1.90 0.28 -0.92 0.00 0.00 175.35 174.17 1a9x h VAL 6994N -1.80 1.20 0.00 3.17 2.07 -1.96 -2.04 116.25 116.88 1a9x h VAL 6994Ca -0.45 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.47 1a9x h VAL 6994Cb 1.26 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1a9x h VAL 6994CO 0.40 0.24 0.00 0.00 0.02 0.00 0.00 177.57 178.24 1a9x n HIS 6995N -4.34 0.00 0.03 1.57 1.44 -1.26 -3.55 115.22 109.11 1a9x n HIS 6995Ca 0.05 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.83 1a9x n HIS 6995Cb 0.14 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.15 1a9x n HIS 6995CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1a9x n GLU 6996N -0.93 0.53 0.00 -1.40 1.02 -0.77 -5.10 120.64 113.99 1a9x n GLU 6996Ca 0.18 -0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1a9x n GLU 6996Cb 0.08 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 1a9x n GLU 6996CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a9x n GLY 6997N 1.74 1.29 3.18 0.62 0.00 -1.22 -4.93 105.19 105.85 1a9x n GLY 6997Ca -0.02 -1.17 -0.29 0.00 0.00 0.00 0.00 46.02 44.54 1a9x n GLY 6997CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a9x s ARG 6998N -2.00 2.40 0.57 1.61 0.52 -1.26 -3.01 118.95 117.78 1a9x s ARG 6998Ca 0.00 -0.74 -0.15 0.00 -0.52 0.00 0.00 55.73 54.32 1a9x s ARG 6998Cb 0.00 -1.93 -0.05 0.00 0.52 0.00 0.00 34.95 33.48 1a9x s ARG 6998CO 0.00 0.21 1.02 -1.25 0.02 0.00 0.00 175.30 175.30 1a9x s PRO 6999N 0.22 3.63 0.44 3.54 0.04 -1.26 -5.16 135.00 136.45 1a9x s PRO 6999Ca -0.11 0.98 0.05 0.00 0.04 0.00 0.00 61.00 61.96 1a9x s PRO 6999Cb -0.15 -2.09 -0.06 0.00 0.04 0.00 0.00 34.50 32.24 1a9x s PRO 6999CO 0.05 -0.54 0.01 -3.38 0.04 0.00 0.00 177.00 173.19 1a9x s HIS 7000N -2.73 2.29 0.23 0.56 -3.43 -1.16 -4.52 115.29 106.53 1a9x s HIS 7000Ca 0.59 -0.78 -0.14 0.00 -0.80 0.00 0.00 55.06 53.93 1a9x s HIS 7000Cb -0.12 -1.70 0.27 0.00 -1.43 0.00 0.00 32.58 29.60 1a9x s HIS 7000CO 0.39 0.36 1.59 0.82 -2.00 0.00 0.00 174.74 175.89 1a9x h ILE 7001N 1.65 0.16 -0.84 -5.38 2.04 -1.73 0.19 117.51 113.60 1a9x h ILE 7001Ca -0.44 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.48 1a9x h ILE 7001Cb 1.26 0.16 -0.06 0.00 -0.74 0.00 0.00 36.82 37.44 1a9x h ILE 7001CO 0.78 0.00 0.52 -0.61 0.00 0.00 0.00 178.15 178.84 1a9x h GLN 7002N -0.04 0.93 0.34 2.37 -0.00 -1.93 0.16 115.11 116.94 1a9x h GLN 7002Ca 0.34 -0.06 -0.02 0.00 -0.00 0.00 0.00 58.65 58.92 1a9x h GLN 7002Cb 0.58 -0.21 0.00 0.00 0.00 0.00 0.00 27.48 27.86 1a9x h GLN 7002CO -0.82 0.61 -0.16 -0.44 0.00 0.00 0.00 178.83 178.03 1a9x h ASP 7003N 0.96 -0.39 -0.29 -0.69 3.32 -1.12 0.53 116.42 118.74 1a9x h ASP 7003Ca 0.36 -0.04 0.07 0.00 0.02 0.00 0.00 57.03 57.44 1a9x h ASP 7003Cb 0.15 0.10 -0.07 0.00 0.22 0.00 0.00 39.33 39.73 1a9x h ASP 7003CO -0.17 -0.21 -0.21 0.03 -1.72 0.00 0.00 179.24 176.96 1a9x h ARG 7004N -0.54 -0.18 -0.13 3.56 3.08 -0.17 0.31 114.38 120.30 1a9x h ARG 7004Ca -0.05 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.05 1a9x h ARG 7004Cb 0.40 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.45 1a9x h ARG 7004CO 0.08 -0.12 -0.13 0.82 -1.07 0.00 0.00 179.97 179.55 1a9x h ILE 7005N -0.19 0.64 -0.64 2.04 2.04 -0.69 0.11 117.51 120.84 1a9x h ILE 7005Ca 0.15 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.15 1a9x h ILE 7005Cb 0.43 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 1a9x h ILE 7005CO -0.40 0.00 0.44 0.50 0.00 0.00 0.00 178.15 178.68 1a9x h LYS 7006N -0.15 0.26 -0.07 2.37 3.64 0.51 0.27 116.57 123.39 1a9x h LYS 7006Ca 0.09 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1a9x h LYS 7006Cb 0.29 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1a9x h LYS 7006CO -0.22 0.17 0.00 0.09 -2.27 0.00 0.00 179.45 177.22 1a9x n ASN 7007N -4.44 0.91 -2.13 4.20 4.13 0.96 -4.88 115.26 114.00 1a9x n ASN 7007Ca 0.12 -1.50 -0.13 0.00 1.68 0.00 0.00 54.58 54.75 1a9x n ASN 7007Cb 0.52 -0.04 0.04 0.00 -1.54 0.00 0.00 39.78 38.76 1a9x n ASN 7007CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1a9x n GLY 7008N 1.01 0.14 0.07 7.41 0.00 0.96 -4.91 105.19 109.87 1a9x n GLY 7008Ca 0.17 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.13 1a9x n GLY 7008CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a9x n GLU 7009N -2.89 0.24 -4.36 1.61 1.02 -0.40 -4.90 120.64 110.95 1a9x n GLU 7009Ca -0.00 0.12 -0.25 0.00 -0.02 0.00 0.00 57.16 57.01 1a9x n GLU 7009Cb 0.54 -1.70 -0.12 0.00 -0.02 0.00 0.00 31.44 30.14 1a9x n GLU 7009CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1a9x s TYR 7010N -3.12 2.04 -0.28 -0.32 2.02 -1.26 -4.40 117.35 112.03 1a9x s TYR 7010Ca 0.09 -0.41 0.06 0.00 -0.37 0.00 0.00 57.07 56.43 1a9x s TYR 7010Cb 0.14 -1.03 -0.07 0.00 -0.40 0.00 0.00 41.96 40.60 1a9x s TYR 7010CO 0.67 0.38 0.25 0.25 -1.57 0.00 0.00 175.55 175.53 1a9x n THR 7011N 0.46 0.00 -3.67 -0.71 -2.24 0.12 -4.92 114.28 103.31 1a9x n THR 7011Ca -0.14 -0.35 -0.14 0.00 -2.27 0.00 0.00 64.05 61.14 1a9x n THR 7011Cb 0.56 0.98 -0.08 0.00 -2.10 0.00 0.00 70.33 69.69 1a9x n THR 7011CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1a9x s TYR 7012N -1.59 -0.52 -0.02 4.78 5.04 -1.21 -3.96 117.35 119.86 1a9x s TYR 7012Ca 0.02 1.14 0.01 0.00 -2.44 0.00 0.00 57.07 55.79 1a9x s TYR 7012Cb 0.05 0.23 0.02 0.00 0.35 0.00 0.00 41.96 42.60 1a9x s TYR 7012CO 0.25 -0.38 -0.00 0.42 -1.34 0.00 0.00 175.55 174.50 1a9x s ILE 7013N -0.36 0.17 -0.24 3.14 1.01 -0.39 -0.90 121.20 123.63 1a9x s ILE 7013Ca -0.05 0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.65 1a9x s ILE 7013Cb -0.03 -0.24 0.04 0.00 0.01 0.00 0.00 42.46 42.24 1a9x s ILE 7013CO 0.03 0.12 -0.10 -0.51 0.00 0.00 0.00 174.94 174.49 1a9x s ILE 7014N 0.76 2.53 -0.23 2.92 1.10 -0.14 -1.22 121.20 126.92 1a9x s ILE 7014Ca -0.07 -1.23 -0.03 0.00 -0.51 0.00 0.00 60.65 58.81 1a9x s ILE 7014Cb -0.11 -2.32 0.07 0.00 0.15 0.00 0.00 42.46 40.25 1a9x s ILE 7014CO -0.01 0.16 0.06 0.21 -2.11 0.00 0.00 174.94 173.25 1a9x s ASN 7015N 1.24 3.17 0.07 4.50 3.84 -0.62 -1.65 114.94 125.49 1a9x s ASN 7015Ca -0.02 -1.02 0.08 0.00 0.21 0.00 0.00 52.86 52.11 1a9x s ASN 7015Cb -0.17 -0.61 -0.03 0.00 -0.55 0.00 0.00 41.25 39.88 1a9x s ASN 7015CO -0.06 -0.34 -0.18 0.42 -2.79 0.00 0.00 177.10 174.15 1a9x s THR 7016N 1.85 2.79 -0.00 -5.21 -4.23 -0.92 -4.19 115.64 105.73 1a9x s THR 7016Ca 0.02 -1.30 -0.08 0.00 -1.18 0.00 0.00 61.69 59.16 1a9x s THR 7016Cb -0.17 -2.21 0.00 0.00 1.34 0.00 0.00 72.50 71.46 1a9x s THR 7016CO -0.14 0.26 0.15 -0.89 -0.54 0.00 0.00 174.62 173.45 1a9x s THR 7017N -0.99 0.08 -0.03 3.99 2.01 -1.26 -2.49 115.64 116.95 1a9x s THR 7017Ca 0.16 -0.64 -0.01 0.00 0.31 0.00 0.00 61.69 61.50 1a9x s THR 7017Cb -0.10 -0.43 0.03 0.00 0.01 0.00 0.00 72.50 72.00 1a9x s THR 7017CO 0.07 -0.35 0.04 -0.55 -0.69 0.00 0.00 174.62 173.14 1a9x s SER 7018N -1.30 0.54 0.00 3.53 0.15 -1.26 -4.94 113.70 110.42 1a9x s SER 7018Ca -0.14 0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.56 1a9x s SER 7018Cb -0.07 -0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 1a9x s SER 7018CO 0.02 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.89 1a9x n GLY 7019N 4.66 3.25 0.38 9.45 0.00 -1.26 -4.40 105.19 117.27 1a9x n GLY 7019Ca -0.17 -1.56 0.16 0.00 0.00 0.00 0.00 46.02 44.44 1a9x n GLY 7019CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1a9x h ARG 7020N 0.00 0.51 0.10 1.61 9.65 -1.99 -1.28 114.38 122.98 1a9x h ARG 7020Ca 0.00 -0.03 -0.26 0.00 -1.10 0.00 0.00 59.98 58.59 1a9x h ARG 7020Cb 0.00 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 28.46 1a9x h ARG 7020CO 0.00 0.34 -1.30 -0.09 2.80 0.00 0.00 179.97 181.71 1a9x h ARG 7021N 0.52 0.22 -0.47 0.20 2.43 -1.98 -2.71 114.38 112.59 1a9x h ARG 7021Ca 0.45 -0.37 0.11 0.00 -0.81 0.00 0.00 59.98 59.36 1a9x h ARG 7021Cb 0.95 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.61 1a9x h ARG 7021CO -0.19 1.18 0.33 0.00 -1.51 0.00 0.00 179.97 179.77 1a9x h ALA 7022N -0.07 2.26 0.28 2.80 0.00 -1.69 0.49 119.26 123.32 1a9x h ALA 7022Ca -0.28 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1a9x h ALA 7022Cb 1.68 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1a9x h ALA 7022CO 0.04 -0.38 -0.13 0.82 0.00 0.00 0.00 179.25 179.60 1a9x h ILE 7023N 0.14 0.00 -0.40 0.00 2.04 -1.35 -2.13 117.51 115.80 1a9x h ILE 7023Ca 0.22 -0.30 0.12 0.00 1.00 0.00 0.00 64.86 65.90 1a9x h ILE 7023Cb 0.69 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 1a9x h ILE 7023CO -0.03 0.00 0.35 -0.33 0.00 0.00 0.00 178.15 178.15 1a9x h GLU 7024N -0.67 0.00 0.00 2.37 5.08 -1.10 0.14 114.58 120.40 1a9x h GLU 7024Ca -0.04 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.20 1a9x h GLU 7024Cb 0.29 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1a9x h GLU 7024CO 0.06 0.00 -0.59 -0.44 -1.00 0.00 0.00 179.01 177.04 1a9x h ASP 7025N 0.00 0.00 0.87 1.42 3.32 -0.01 -3.27 116.42 118.74 1a9x h ASP 7025Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1a9x h ASP 7025Cb 0.90 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.45 1a9x h ASP 7025CO -0.00 0.59 -0.47 -1.54 -1.72 0.00 0.00 179.24 176.10 1a9x n SER 7026N -3.35 0.61 -0.32 6.45 3.41 0.42 -4.47 113.62 116.37 1a9x n SER 7026Ca 0.01 0.13 0.30 0.00 -0.26 0.00 0.00 58.87 59.05 1a9x n SER 7026Cb 0.72 0.01 0.55 0.00 -0.26 0.00 0.00 64.21 65.23 1a9x n SER 7026CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1a9x n ARG 7027N -1.94 -0.05 0.23 4.33 0.63 -0.72 0.29 116.66 119.44 1a9x n ARG 7027Ca 0.04 1.23 0.09 0.00 -0.92 0.00 0.00 57.85 58.30 1a9x n ARG 7027Cb 0.41 -2.25 0.57 0.00 0.45 0.00 0.00 32.46 31.63 1a9x n ARG 7027CO 0.00 0.00 0.00 -0.24 -2.51 0.00 0.00 177.63 174.88 1a9x h VAL 7028N 0.00 0.74 0.31 5.15 3.04 -1.85 -1.14 116.25 122.50 1a9x h VAL 7028Ca 0.78 -0.87 -0.02 0.00 -1.01 0.00 0.00 66.70 65.58 1a9x h VAL 7028Cb 2.14 1.53 0.00 0.00 -2.01 0.00 0.00 31.29 32.96 1a9x h VAL 7028CO -0.65 0.21 -0.15 0.40 -1.01 0.00 0.00 177.57 176.36 1a9x h ILE 7029N 0.00 0.68 -0.64 3.17 1.08 -0.49 -1.05 117.51 120.25 1a9x h ILE 7029Ca -0.00 -0.59 -0.08 0.00 -0.39 0.00 0.00 64.86 63.80 1a9x h ILE 7029Cb 0.52 0.97 -0.02 0.00 -3.07 0.00 0.00 36.82 35.21 1a9x h ILE 7029CO 0.03 0.11 0.10 0.03 -0.69 0.00 0.00 178.15 177.72 1a9x h ARG 7030N -0.76 1.06 -0.67 2.37 3.08 -1.57 -0.95 114.38 116.94 1a9x h ARG 7030Ca -0.04 -0.29 -0.07 0.00 0.07 0.00 0.00 59.98 59.65 1a9x h ARG 7030Cb 0.51 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 1a9x h ARG 7030CO 0.07 0.99 0.15 0.00 -1.07 0.00 0.00 179.97 180.11 1a9x h ARG 7031N 0.98 1.07 -0.30 0.04 3.08 -1.26 0.12 114.38 118.12 1a9x h ARG 7031Ca 0.19 -0.26 -0.06 0.00 0.07 0.00 0.00 59.98 59.92 1a9x h ARG 7031Cb 0.45 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1a9x h ARG 7031CO 0.01 0.96 -0.06 0.77 -1.07 0.00 0.00 179.97 180.59 1a9x h SER 7032N 1.00 0.56 -0.01 7.04 0.02 -1.07 0.45 113.55 121.55 1a9x h SER 7032Ca 0.21 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1a9x h SER 7032Cb 0.38 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.76 1a9x h SER 7032CO 0.00 0.79 0.00 0.00 -1.14 0.00 0.00 176.83 176.48 1a9x h ALA 7033N 0.80 0.01 -0.10 3.77 0.00 -1.04 0.59 119.26 123.29 1a9x h ALA 7033Ca 0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1a9x h ALA 7033Cb 0.53 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1a9x h ALA 7033CO 0.03 -0.48 0.05 1.25 0.00 0.00 0.00 179.25 180.09 1a9x h LEU 7034N -0.01 0.13 -1.28 0.00 5.85 -0.71 0.13 115.31 119.43 1a9x h LEU 7034Ca 0.00 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 1a9x h LEU 7034Cb 0.02 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1a9x h LEU 7034CO -0.00 0.21 0.03 -0.61 -0.34 0.00 0.00 178.44 177.73 1a9x h GLN 7035N 0.04 0.51 -0.38 1.25 4.15 -0.68 -2.12 115.11 117.88 1a9x h GLN 7035Ca 0.03 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.35 1a9x h GLN 7035Cb 0.12 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.73 1a9x h GLN 7035CO -0.00 0.52 0.00 0.66 -1.93 0.00 0.00 178.83 178.08 1a9x n TYR 7036N -4.30 0.50 -2.58 3.99 4.01 0.20 -4.92 117.16 114.07 1a9x n TYR 7036Ca 0.02 -0.25 -0.16 0.00 -0.16 0.00 0.00 57.90 57.34 1a9x n TYR 7036Cb 0.22 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.26 1a9x n TYR 7036CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1a9x n LYS 7037N 0.79 -2.55 -3.46 -0.72 4.76 -0.55 -5.00 118.16 111.42 1a9x n LYS 7037Ca 0.16 0.73 -0.37 0.00 -2.87 0.00 0.00 58.31 55.96 1a9x n LYS 7037Cb 0.40 -5.13 -0.06 0.00 -1.84 0.00 0.00 35.03 28.40 1a9x n LYS 7037CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1a9x s VAL 7038N -2.91 5.20 0.19 -0.18 1.01 0.36 -4.75 120.40 119.31 1a9x s VAL 7038Ca 0.12 0.76 -0.32 0.00 0.00 0.00 0.00 61.98 62.54 1a9x s VAL 7038Cb -0.05 -3.71 -0.11 0.00 0.00 0.00 0.00 36.38 32.50 1a9x s VAL 7038CO 0.15 0.42 1.65 -2.28 0.00 0.00 0.00 175.10 175.04 1a9x s HIS 7039N 0.10 2.97 -0.01 5.22 2.46 -1.25 -4.53 115.29 120.24 1a9x s HIS 7039Ca 0.22 0.47 -0.06 0.00 0.47 0.00 0.00 55.06 56.16 1a9x s HIS 7039Cb -0.15 -4.04 0.00 0.00 -0.13 0.00 0.00 32.58 28.27 1a9x s HIS 7039CO 0.09 -3.90 0.13 1.52 -2.47 0.00 0.00 174.74 170.10 1a9x s TYR 7040N 1.18 -0.00 -0.01 3.88 1.13 -1.26 -1.27 117.35 121.00 1a9x s TYR 7040Ca 0.73 -0.01 0.08 0.00 -1.41 0.00 0.00 57.07 56.46 1a9x s TYR 7040Cb -0.47 -0.03 -0.02 0.00 -1.10 0.00 0.00 41.96 40.34 1a9x s TYR 7040CO 0.32 -0.22 -0.25 -0.51 -2.51 0.00 0.00 175.55 172.37 1a9x s ASP 7041N -0.96 2.99 -0.03 -0.18 1.01 -0.36 -4.98 116.67 114.16 1a9x s ASP 7041Ca -0.10 -0.48 0.14 0.00 0.71 0.00 0.00 52.55 52.82 1a9x s ASP 7041Cb -0.06 -0.32 0.44 0.00 1.01 0.00 0.00 42.92 43.99 1a9x s ASP 7041CO 0.01 0.30 1.37 0.35 0.21 0.00 0.00 175.17 177.41 1a9x n THR 7042N 2.34 1.23 -3.96 -1.27 -2.24 -1.26 -1.59 114.28 107.54 1a9x n THR 7042Ca -0.16 -1.12 -0.10 0.00 -2.27 0.00 0.00 64.05 60.41 1a9x n THR 7042Cb 0.51 0.38 -0.12 0.00 -2.10 0.00 0.00 70.33 69.01 1a9x n THR 7042CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1a9x s THR 7043N -1.29 0.09 0.20 4.28 -4.23 -1.26 -4.58 115.64 108.85 1a9x s THR 7043Ca 0.33 -0.73 -0.05 0.00 -1.18 0.00 0.00 61.69 60.05 1a9x s THR 7043Cb 0.19 -0.22 0.01 0.00 1.34 0.00 0.00 72.50 73.82 1a9x s THR 7043CO 0.19 -0.40 1.58 0.25 -0.54 0.00 0.00 174.62 175.70 1a9x h LEU 7044N 4.92 0.80 -0.20 4.79 5.85 -1.95 -1.70 115.31 127.83 1a9x h LEU 7044Ca -0.30 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.12 1a9x h LEU 7044Cb 1.21 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 1a9x h LEU 7044CO 0.43 1.04 0.04 0.78 -0.34 0.00 0.00 178.44 180.39 1a9x h ASN 7045N 0.66 0.00 -0.30 1.25 2.35 -1.96 0.97 115.58 118.55 1a9x h ASN 7045Ca 0.08 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1a9x h ASN 7045Cb 0.83 0.04 -0.02 0.00 0.05 0.00 0.00 38.32 39.22 1a9x h ASN 7045CO 0.07 0.03 0.19 1.23 -1.65 0.00 0.00 177.43 177.30 1a9x h GLY 7046N 0.11 0.43 1.76 2.83 0.00 -1.77 -1.44 103.07 105.00 1a9x h GLY 7046Ca 0.09 -0.17 -0.16 0.00 0.00 0.00 0.00 47.33 47.09 1a9x h GLY 7046CO -0.12 0.16 -0.69 -1.33 0.00 0.00 0.00 176.54 174.56 1a9x h GLY 7047N 0.44 0.26 0.96 4.60 0.00 -0.22 -1.21 103.07 107.90 1a9x h GLY 7047Ca 0.11 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 46.99 1a9x h GLY 7047CO -0.02 0.32 -0.13 0.74 0.00 0.00 0.00 176.54 177.45 1a9x h PHE 7048N 0.17 0.82 -0.30 5.60 0.04 0.14 -2.25 116.94 121.15 1a9x h PHE 7048Ca -0.02 -0.19 0.04 0.00 2.80 0.00 0.00 57.97 60.60 1a9x h PHE 7048Cb 1.23 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 39.15 1a9x h PHE 7048CO 0.03 0.90 0.08 0.00 -0.60 0.00 0.00 178.31 178.71 1a9x h ALA 7049N 0.80 0.32 -0.70 2.45 0.00 -1.25 0.20 119.26 121.08 1a9x h ALA 7049Ca 0.08 0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.17 1a9x h ALA 7049Cb 0.66 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 1a9x h ALA 7049CO 0.04 -0.33 0.47 1.15 0.00 0.00 0.00 179.25 180.58 1a9x h THR 7050N 0.19 0.85 -0.07 0.00 2.02 -1.09 0.03 112.91 114.85 1a9x h THR 7050Ca 0.14 -0.15 -0.15 0.00 0.77 0.00 0.00 66.41 67.02 1a9x h THR 7050Cb 0.13 0.37 0.01 0.00 -1.74 0.00 0.00 68.15 66.92 1a9x h THR 7050CO -0.16 0.08 -0.53 0.00 0.37 0.00 0.00 175.52 175.28 1a9x h ALA 7051N 1.66 0.15 -0.89 6.16 0.00 -0.49 -3.02 119.26 122.84 1a9x h ALA 7051Ca 0.33 -0.52 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1a9x h ALA 7051Cb 0.70 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 1a9x h ALA 7051CO -0.10 0.36 0.58 0.52 0.00 0.00 0.00 179.25 180.61 1a9x h MET 7052N 0.03 1.15 0.00 0.00 2.86 0.19 0.18 114.93 119.34 1a9x h MET 7052Ca -0.05 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1a9x h MET 7052Cb 1.20 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 32.60 1a9x h MET 7052CO 0.11 0.76 0.00 0.00 1.06 0.00 0.00 176.91 178.84 1a9x n ALA 7053N -2.34 1.23 0.37 6.32 0.00 -0.08 -1.50 120.51 124.50 1a9x n ALA 7053Ca 0.10 0.02 0.14 0.00 0.00 0.00 0.00 53.44 53.69 1a9x n ALA 7053Cb 0.03 -1.13 0.55 0.00 0.00 0.00 0.00 19.45 18.90 1a9x n ALA 7053CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1a9x h LEU 7054N 0.00 0.00 -2.70 0.00 3.38 -0.52 -2.34 115.31 113.14 1a9x h LEU 7054Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1a9x h LEU 7054Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1a9x h LEU 7054CO 0.00 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.12 1a9x n ASN 7055N -2.53 4.16 -4.19 -0.43 5.03 -0.56 -4.92 115.26 111.82 1a9x n ASN 7055Ca 0.02 -2.56 -0.13 0.00 0.87 0.00 0.00 54.58 52.78 1a9x n ASN 7055Cb 0.27 -0.59 -0.10 0.00 -1.02 0.00 0.00 39.78 38.33 1a9x n ASN 7055CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1a9x s ALA 7056N -2.11 1.12 -0.29 5.41 0.00 -0.88 -4.96 121.76 120.05 1a9x s ALA 7056Ca 0.39 -1.31 0.03 0.00 0.00 0.00 0.00 51.96 51.06 1a9x s ALA 7056Cb 0.28 0.09 0.08 0.00 0.00 0.00 0.00 23.12 23.57 1a9x s ALA 7056CO 0.13 -0.13 -0.02 0.34 0.00 0.00 0.00 175.76 176.08 1a9x s ASP 7057N -2.84 4.40 0.51 0.00 -1.08 -1.26 -4.98 116.67 111.41 1a9x s ASP 7057Ca 0.10 -1.64 0.17 0.00 -0.52 0.00 0.00 52.55 50.66 1a9x s ASP 7057Cb 0.02 -1.44 1.25 0.00 -1.46 0.00 0.00 42.92 41.29 1a9x s ASP 7057CO -0.02 -0.29 2.10 0.00 0.52 0.00 0.00 175.17 177.49 1a9x h ALA 7058N 7.78 2.09 -0.63 3.66 0.00 -1.88 -1.79 119.26 128.49 1a9x h ALA 7058Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1a9x h ALA 7058Cb 1.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1a9x h ALA 7058CO 0.47 -0.13 0.00 0.25 0.00 0.00 0.00 179.25 179.84 1a9x n THR 7059N -4.50 2.05 0.13 0.00 -2.24 -1.26 -4.47 114.28 103.99 1a9x n THR 7059Ca 0.01 -1.26 -0.25 0.00 -2.27 0.00 0.00 64.05 60.29 1a9x n THR 7059Cb 0.21 0.04 -0.16 0.00 -2.10 0.00 0.00 70.33 68.32 1a9x n THR 7059CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1a9x h GLU 7060N 4.05 0.52 -3.71 -0.78 4.81 -1.73 -3.47 114.58 114.27 1a9x h GLU 7060Ca 0.00 -0.88 -0.23 0.00 -0.13 0.00 0.00 59.36 58.12 1a9x h GLU 7060Cb 1.57 0.33 -0.28 0.00 0.63 0.00 0.00 28.75 31.01 1a9x h GLU 7060CO 0.29 1.42 -0.71 0.21 -0.73 0.00 0.00 179.01 179.50 1a9x s LYS 7061N -2.59 0.02 0.14 1.92 2.20 -1.26 -5.15 119.74 115.02 1a9x s LYS 7061Ca -0.10 -0.01 0.10 0.00 -0.36 0.00 0.00 55.97 55.60 1a9x s LYS 7061Cb 0.04 0.01 -0.04 0.00 -1.51 0.00 0.00 37.83 36.33 1a9x s LYS 7061CO 0.93 -0.00 -0.23 0.14 -0.36 0.00 0.00 175.35 175.82 1a9x s VAL 7062N -0.05 2.04 -0.01 4.02 -7.23 -1.26 -5.03 120.40 112.89 1a9x s VAL 7062Ca -0.01 -1.75 -0.06 0.00 -1.81 0.00 0.00 61.98 58.35 1a9x s VAL 7062Cb -0.00 -1.85 0.00 0.00 0.56 0.00 0.00 36.38 35.09 1a9x s VAL 7062CO -0.00 -0.04 0.13 -0.51 -0.31 0.00 0.00 175.10 174.36 1a9x s ILE 7063N -1.32 0.07 0.23 -0.62 2.07 -1.26 -5.12 121.20 115.25 1a9x s ILE 7063Ca 0.13 -0.56 -0.02 0.00 -1.41 0.00 0.00 60.65 58.78 1a9x s ILE 7063Cb -0.09 -0.38 -0.05 0.00 0.13 0.00 0.00 42.46 42.08 1a9x s ILE 7063CO 0.06 -0.31 0.45 -0.94 -1.91 0.00 0.00 174.94 172.29 1a9x s SER 7064N -1.08 6.41 0.36 4.50 1.04 -1.26 -4.53 113.70 119.14 1a9x s SER 7064Ca -0.12 0.52 0.07 0.00 0.48 0.00 0.00 55.95 56.91 1a9x s SER 7064Cb -0.06 -2.06 0.76 0.00 0.10 0.00 0.00 66.02 64.76 1a9x s SER 7064CO 0.01 -0.09 1.92 0.58 0.98 0.00 0.00 173.24 176.63 1a9x h VAL 7065N 1.50 0.94 -0.31 5.02 2.07 -1.24 0.23 116.25 124.46 1a9x h VAL 7065Ca -0.48 -0.25 -0.07 0.00 0.82 0.00 0.00 66.70 66.72 1a9x h VAL 7065Cb 1.19 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1a9x h VAL 7065CO 0.67 0.14 -0.06 1.56 0.02 0.00 0.00 177.57 179.90 1a9x h GLN 7066N 0.74 0.59 -0.72 1.57 7.50 -1.88 -0.66 115.11 122.25 1a9x h GLN 7066Ca 0.38 -0.22 -0.03 0.00 0.50 0.00 0.00 58.65 59.28 1a9x h GLN 7066Cb 0.46 -0.04 -0.03 0.00 0.05 0.00 0.00 27.48 27.93 1a9x h GLN 7066CO -0.15 0.77 0.33 0.93 -1.50 0.00 0.00 178.83 179.21 1a9x h GLU 7067N 0.36 1.05 -0.24 1.46 5.08 -1.63 0.11 114.58 120.76 1a9x h GLU 7067Ca 0.08 -0.16 0.05 0.00 -1.00 0.00 0.00 59.36 58.32 1a9x h GLU 7067Cb 0.54 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.56 1a9x h GLU 7067CO 0.03 0.83 -0.06 0.52 -1.00 0.00 0.00 179.01 179.33 1a9x h MET 7068N 1.01 -0.00 -0.09 2.33 2.86 -0.29 -0.22 114.93 120.53 1a9x h MET 7068Ca 0.25 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.80 1a9x h MET 7068Cb 0.14 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 1a9x h MET 7068CO -0.03 -0.00 -0.33 0.45 1.06 0.00 0.00 176.91 178.06 1a9x h HIS 7069N -0.00 0.20 -0.43 -0.22 3.86 -0.80 -2.34 115.15 115.41 1a9x h HIS 7069Ca 0.12 -0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.24 1a9x h HIS 7069Cb 0.18 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.58 1a9x h HIS 7069CO -0.25 0.50 0.11 0.00 0.86 0.00 0.00 177.93 179.15 1a9x h ALA 7070N 1.50 1.39 0.00 2.45 0.00 0.47 -1.88 119.26 123.18 1a9x h ALA 7070Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1a9x h ALA 7070Cb 0.67 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1a9x h ALA 7070CO 0.05 0.44 0.00 1.04 0.00 0.00 0.00 179.25 180.78 1a9x n GLN 7071N -4.32 0.11 -3.09 0.00 6.02 -0.22 -4.71 117.38 111.17 1a9x n GLN 7071Ca 0.03 0.20 -0.41 0.00 -0.01 0.00 0.00 57.00 56.81 1a9x n GLN 7071Cb 0.20 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.90 1a9x n GLN 7071CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1a9x s ILE 7072N -2.77 4.98 -2.57 5.09 1.01 -0.71 -4.81 121.20 121.43 1a9x s ILE 7072Ca 0.10 1.18 0.27 0.00 0.00 0.00 0.00 60.65 62.21 1a9x s ILE 7072Cb 0.09 -3.95 0.50 0.00 0.01 0.00 0.00 42.46 39.12 1a9x s ILE 7072CO 0.24 0.05 1.68 0.29 0.00 0.00 0.00 174.94 177.19