#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a9x s LYS 7503N 0.00 3.29 0.66 9.51 3.01 -1.26 -5.03 119.74 129.93 1a9x s LYS 7503Ca 0.00 -0.39 -0.11 0.00 -1.01 0.00 0.00 55.97 54.46 1a9x s LYS 7503Cb 0.00 -4.05 -0.01 0.00 -1.01 0.00 0.00 37.83 32.76 1a9x s LYS 7503CO 0.00 -1.39 1.05 -1.12 0.51 0.00 0.00 175.35 174.40 1a9x s SER 7504N 2.74 5.77 -0.09 2.83 0.01 -1.25 -1.47 113.70 122.24 1a9x s SER 7504Ca 0.27 1.45 -0.27 0.00 1.31 0.00 0.00 55.95 58.71 1a9x s SER 7504Cb -0.14 -2.40 0.06 0.00 0.21 0.00 0.00 66.02 63.75 1a9x s SER 7504CO 0.18 -1.17 0.63 0.00 0.41 0.00 0.00 173.24 173.29 1a9x s ALA 7505N -3.15 -1.62 -0.07 1.44 0.00 -0.94 -2.13 121.76 115.29 1a9x s ALA 7505Ca 0.57 1.32 -0.08 0.00 0.00 0.00 0.00 51.96 53.76 1a9x s ALA 7505Cb -0.12 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.78 1a9x s ALA 7505CO 0.54 -0.34 0.23 -1.17 0.00 0.00 0.00 175.76 175.02 1a9x s LEU 7506N -0.86 1.15 -0.13 0.00 2.96 0.31 -0.08 118.68 122.04 1a9x s LEU 7506Ca -0.09 0.36 0.02 0.00 -0.22 0.00 0.00 54.13 54.20 1a9x s LEU 7506Cb -0.02 0.82 0.01 0.00 0.50 0.00 0.00 46.19 47.50 1a9x s LEU 7506CO 0.07 -0.14 -0.20 -0.22 -1.32 0.00 0.00 176.35 174.54 1a9x s LEU 7507N -0.17 1.99 -0.02 -0.68 2.96 -0.69 -0.12 118.68 121.95 1a9x s LEU 7507Ca -0.03 -0.55 0.06 0.00 -0.22 0.00 0.00 54.13 53.39 1a9x s LEU 7507Cb -0.03 -1.33 -0.01 0.00 0.50 0.00 0.00 46.19 45.32 1a9x s LEU 7507CO 0.01 0.07 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.22 1a9x s VAL 7508N 0.81 1.54 0.14 1.68 1.01 0.19 -1.74 120.40 124.03 1a9x s VAL 7508Ca -0.08 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.10 1a9x s VAL 7508Cb -0.16 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1a9x s VAL 7508CO -0.01 0.44 0.25 -0.76 0.00 0.00 0.00 175.10 175.02 1a9x s LEU 7509N -0.35 4.25 0.34 3.92 1.43 -0.36 -0.50 118.68 127.41 1a9x s LEU 7509Ca 0.05 0.14 0.13 0.00 -1.03 0.00 0.00 54.13 53.41 1a9x s LEU 7509Cb -0.08 -2.84 1.05 0.00 0.03 0.00 0.00 46.19 44.35 1a9x s LEU 7509CO -0.00 0.07 1.65 -0.33 0.23 0.00 0.00 176.35 177.96 1a9x h GLU 7510N 2.31 0.24 0.00 1.70 5.08 -1.77 2.66 114.58 124.79 1a9x h GLU 7510Ca -0.48 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1a9x h GLU 7510Cb 1.19 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1a9x h GLU 7510CO 0.69 0.16 0.00 -0.40 -1.00 0.00 0.00 179.01 178.46 1a9x n ASP 7511N -5.13 0.00 0.00 1.42 5.68 -1.26 -4.84 116.55 112.43 1a9x n ASP 7511Ca 0.31 0.46 0.00 0.00 -0.50 0.00 0.00 54.79 55.06 1a9x n ASP 7511Cb 0.97 -0.48 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 1a9x n ASP 7511CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a9x n GLY 7512N -0.13 0.69 3.71 6.12 0.00 0.89 -5.05 105.19 111.43 1a9x n GLY 7512Ca 0.03 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1a9x n GLY 7512CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a9x s THR 7513N -2.00 4.13 0.03 2.61 2.01 -1.20 -4.74 115.64 116.49 1a9x s THR 7513Ca 0.00 1.54 0.02 0.00 0.31 0.00 0.00 61.69 63.56 1a9x s THR 7513Cb 0.00 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 1a9x s THR 7513CO 0.00 0.12 0.03 -1.10 -0.69 0.00 0.00 174.62 172.98 1a9x s GLN 7514N 1.01 2.80 -0.11 4.92 -0.21 -1.26 -1.22 119.66 125.58 1a9x s GLN 7514Ca 0.58 -0.65 -0.02 0.00 0.02 0.00 0.00 55.36 55.29 1a9x s GLN 7514Cb -0.28 -2.69 0.04 0.00 1.00 0.00 0.00 33.01 31.08 1a9x s GLN 7514CO 0.29 0.60 0.01 -0.06 -2.12 0.00 0.00 175.29 174.02 1a9x s PHE 7515N -1.20 0.78 -0.13 0.91 0.08 -0.71 -5.02 117.98 112.69 1a9x s PHE 7515Ca 0.23 -0.40 -0.09 0.00 0.12 0.00 0.00 56.93 56.79 1a9x s PHE 7515Cb -0.12 -0.88 -0.04 0.00 -0.57 0.00 0.00 43.02 41.41 1a9x s PHE 7515CO 0.14 -0.43 0.18 -1.01 -0.10 0.00 0.00 175.22 174.01 1a9x s HIS 7516N 1.94 3.56 0.00 0.36 3.76 -1.26 -1.71 115.29 121.94 1a9x s HIS 7516Ca 0.03 0.55 0.00 0.00 -0.15 0.00 0.00 55.06 55.49 1a9x s HIS 7516Cb -0.14 -2.06 0.00 0.00 1.11 0.00 0.00 32.58 31.49 1a9x s HIS 7516CO -0.06 0.59 0.00 0.41 -0.85 0.00 0.00 174.74 174.83 1a9x n GLY 7517N 2.40 3.70 3.36 -2.22 0.00 0.89 -4.64 105.19 108.67 1a9x n GLY 7517Ca -0.18 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 44.87 1a9x n GLY 7517CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a9x s ARG 7518N 1.79 2.68 -0.10 1.61 3.52 -0.33 -2.22 118.95 125.90 1a9x s ARG 7518Ca 0.00 -0.79 -0.30 0.00 -0.13 0.00 0.00 55.73 54.51 1a9x s ARG 7518Cb 0.00 -2.32 -0.01 0.00 -1.56 0.00 0.00 34.95 31.05 1a9x s ARG 7518CO 0.00 0.44 1.03 0.00 -0.81 0.00 0.00 175.30 175.95 1a9x s ALA 7519N -0.27 3.42 -0.05 6.12 0.00 -0.54 -0.18 121.76 130.25 1a9x s ALA 7519Ca 0.01 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.36 1a9x s ALA 7519Cb -0.13 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1a9x s ALA 7519CO 0.03 -0.63 0.46 0.44 0.00 0.00 0.00 175.76 176.06 1a9x n ILE 7520N 4.57 0.00 0.00 0.00 -5.35 -0.87 -4.88 119.36 112.82 1a9x n ILE 7520Ca 0.09 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 1a9x n ILE 7520Cb 0.48 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.39 1a9x n ILE 7520CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1a9x n GLY 7521N 0.13 4.18 3.88 3.28 0.00 -1.20 -4.56 105.19 110.91 1a9x n GLY 7521Ca 0.00 -1.24 -0.30 0.00 0.00 0.00 0.00 46.02 44.48 1a9x n GLY 7521CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9x s ALA 7522N -2.10 2.94 0.18 4.61 0.00 0.87 -4.67 121.76 123.58 1a9x s ALA 7522Ca 0.00 -0.32 -0.16 0.00 0.00 0.00 0.00 51.96 51.48 1a9x s ALA 7522Cb 0.00 -3.02 -0.07 0.00 0.00 0.00 0.00 23.12 20.03 1a9x s ALA 7522CO 0.00 -1.07 0.62 0.99 0.00 0.00 0.00 175.76 176.30 1a9x s THR 7523N -3.32 4.75 -4.97 0.00 2.01 -1.26 -4.48 115.64 108.36 1a9x s THR 7523Ca 0.58 0.98 0.00 0.00 0.31 0.00 0.00 61.69 63.56 1a9x s THR 7523Cb -0.11 -3.77 0.00 0.00 0.01 0.00 0.00 72.50 68.63 1a9x s THR 7523CO 0.52 0.20 0.00 0.61 -0.69 0.00 0.00 174.62 175.26 1a9x n GLY 7524N 0.70 0.98 3.22 4.40 0.00 0.80 -4.96 105.19 110.33 1a9x n GLY 7524Ca -0.04 -1.89 -0.17 0.00 0.00 0.00 0.00 46.02 43.92 1a9x n GLY 7524CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a9x s SER 7525N -4.00 1.84 0.00 1.61 1.04 -1.26 0.17 113.70 113.11 1a9x s SER 7525Ca 0.00 -0.77 -0.00 0.00 0.48 0.00 0.00 55.95 55.66 1a9x s SER 7525Cb 0.00 -0.05 -0.01 0.00 0.10 0.00 0.00 66.02 66.06 1a9x s SER 7525CO 0.00 -0.15 -0.00 0.00 0.98 0.00 0.00 173.24 174.07 1a9x s ALA 7526N -2.00 0.02 -0.02 5.32 0.00 0.31 -4.92 121.76 120.48 1a9x s ALA 7526Ca 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 51.96 51.83 1a9x s ALA 7526Cb -0.06 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.12 1a9x s ALA 7526CO 0.02 -0.06 0.03 0.08 0.00 0.00 0.00 175.76 175.84 1a9x s VAL 7527N -0.50 -0.02 -0.86 0.00 1.01 -1.26 -0.45 120.40 118.32 1a9x s VAL 7527Ca -0.05 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1a9x s VAL 7527Cb -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 36.38 36.28 1a9x s VAL 7527CO -0.00 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.74 1a9x n GLY 7528N 3.53 -1.28 3.72 4.51 0.00 0.27 -4.79 105.19 111.14 1a9x n GLY 7528Ca -0.18 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.53 1a9x n GLY 7528CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1a9x s GLU 7529N -0.54 4.61 -0.13 1.61 2.12 -0.89 0.14 118.70 125.61 1a9x s GLU 7529Ca 0.00 1.37 -0.20 0.00 0.36 0.00 0.00 54.97 56.49 1a9x s GLU 7529Cb 0.00 -3.41 -0.04 0.00 0.26 0.00 0.00 34.13 30.94 1a9x s GLU 7529CO 0.00 0.10 0.58 0.08 -0.54 0.00 0.00 175.26 175.48 1a9x s VAL 7530N 0.46 5.10 0.11 3.70 1.01 0.26 0.78 120.40 131.83 1a9x s VAL 7530Ca 0.48 1.15 0.03 0.00 0.00 0.00 0.00 61.98 63.63 1a9x s VAL 7530Cb -0.22 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1a9x s VAL 7530CO 0.28 0.24 -0.08 0.68 0.00 0.00 0.00 175.10 176.21 1a9x s VAL 7531N 1.10 0.85 -0.06 2.92 -7.23 -0.62 -4.18 120.40 113.19 1a9x s VAL 7531Ca 0.30 -1.97 0.05 0.00 -1.81 0.00 0.00 61.98 58.55 1a9x s VAL 7531Cb -0.16 -1.73 -0.02 0.00 0.56 0.00 0.00 36.38 35.04 1a9x s VAL 7531CO 0.12 -0.83 -0.22 0.72 -0.31 0.00 0.00 175.10 174.59 1a9x s PHE 7532N -3.51 2.51 -0.14 2.82 -0.12 -1.26 -0.04 117.98 118.24 1a9x s PHE 7532Ca 0.13 -0.56 0.02 0.00 -0.05 0.00 0.00 56.93 56.47 1a9x s PHE 7532Cb 0.04 -1.61 0.02 0.00 -0.63 0.00 0.00 43.02 40.84 1a9x s PHE 7532CO -0.03 -0.11 -0.19 1.21 -0.05 0.00 0.00 175.22 176.06 1a9x s ASN 7533N -0.30 2.89 -0.01 1.98 3.84 -0.20 -4.40 114.94 118.74 1a9x s ASN 7533Ca 0.01 -0.56 0.06 0.00 0.21 0.00 0.00 52.86 52.58 1a9x s ASN 7533Cb -0.13 -1.33 0.19 0.00 -0.55 0.00 0.00 41.25 39.44 1a9x s ASN 7533CO 0.02 0.02 1.09 0.35 -2.79 0.00 0.00 177.10 175.80 1a9x n THR 7534N 4.36 0.38 -1.96 -5.21 -2.24 -0.83 -2.57 114.28 106.22 1a9x n THR 7534Ca -0.19 -0.30 -0.42 0.00 -2.27 0.00 0.00 64.05 60.86 1a9x n THR 7534Cb 0.51 0.02 -0.03 0.00 -2.10 0.00 0.00 70.33 68.73 1a9x n THR 7534CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1a9x s SER 7535N -0.84 6.63 0.09 3.42 0.01 -1.26 -4.70 113.70 117.06 1a9x s SER 7535Ca 0.14 2.31 0.27 0.00 1.31 0.00 0.00 55.95 59.98 1a9x s SER 7535Cb 0.08 -2.54 1.02 0.00 0.21 0.00 0.00 66.02 64.80 1a9x s SER 7535CO 0.08 -0.94 1.83 0.23 0.41 0.00 0.00 173.24 174.85 1a9x n MET 7536N 7.08 0.11 -4.32 12.44 2.81 -1.26 -4.58 117.12 129.39 1a9x n MET 7536Ca 0.17 0.12 -0.17 0.00 -1.81 0.00 0.00 57.70 56.02 1a9x n MET 7536Cb 0.42 -1.64 -0.10 0.00 -0.71 0.00 0.00 33.22 31.19 1a9x n MET 7536CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1a9x s THR 7537N -3.06 0.60 -0.65 2.03 -4.23 -1.26 -4.96 115.64 104.10 1a9x s THR 7537Ca 0.12 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.59 1a9x s THR 7537Cb 0.15 -2.63 0.00 0.00 1.34 0.00 0.00 72.50 71.37 1a9x s THR 7537CO 0.53 -0.02 0.57 0.61 -0.54 0.00 0.00 174.62 175.77 1a9x n GLY 7538N -0.47 0.17 0.15 3.99 0.00 -1.26 -4.90 105.19 102.88 1a9x n GLY 7538Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1a9x n GLY 7538CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1a9x h TYR 7539N -1.24 0.00 0.07 1.61 -0.00 -1.93 -2.32 116.97 113.16 1a9x h TYR 7539Ca -0.28 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.44 1a9x h TYR 7539Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.91 1a9x h TYR 7539CO 0.24 0.54 -0.03 0.37 -0.00 0.00 0.00 178.16 179.27 1a9x h GLN 7540N 0.00 -0.09 -0.80 0.10 4.15 -1.90 -2.42 115.11 114.14 1a9x h GLN 7540Ca -0.01 0.01 0.11 0.00 0.77 0.00 0.00 58.65 59.53 1a9x h GLN 7540Cb 0.97 0.02 -0.08 0.00 0.21 0.00 0.00 27.48 28.60 1a9x h GLN 7540CO 0.07 0.30 0.43 0.93 -1.93 0.00 0.00 178.83 178.63 1a9x h GLU 7541N -0.51 0.68 -0.28 1.69 3.07 -1.50 -2.11 114.58 115.62 1a9x h GLU 7541Ca -0.01 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.78 1a9x h GLU 7541Cb 0.44 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 1a9x h GLU 7541CO 0.02 0.45 0.08 0.82 -1.40 0.00 0.00 179.01 178.97 1a9x h ILE 7542N 0.70 1.21 -0.50 3.13 2.04 -1.39 -2.74 117.51 119.95 1a9x h ILE 7542Ca 0.40 -0.68 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 1a9x h ILE 7542Cb 0.44 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1a9x h ILE 7542CO -0.28 0.22 0.31 -0.07 0.00 0.00 0.00 178.15 178.33 1a9x h LEU 7543N 0.29 0.59 -2.65 1.44 3.38 -0.91 -2.74 115.31 114.71 1a9x h LEU 7543Ca 0.09 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1a9x h LEU 7543Cb 0.27 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1a9x h LEU 7543CO -0.00 0.45 0.00 0.35 0.09 0.00 0.00 178.44 179.33 1a9x n THR 7544N -4.44 1.50 -2.87 0.22 -2.24 -0.84 -0.45 114.28 105.16 1a9x n THR 7544Ca 0.04 -0.97 -0.42 0.00 -2.27 0.00 0.00 64.05 60.43 1a9x n THR 7544Cb 0.07 0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 68.33 1a9x n THR 7544CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1a9x s ASP 7545N -0.83 6.94 0.47 3.42 2.15 -1.04 -2.75 116.67 125.03 1a9x s ASP 7545Ca 0.43 1.16 0.18 0.00 0.43 0.00 0.00 52.55 54.75 1a9x s ASP 7545Cb 0.27 -2.46 1.17 0.00 -0.30 0.00 0.00 42.92 41.61 1a9x s ASP 7545CO 0.21 -0.45 1.98 -0.65 -0.17 0.00 0.00 175.17 176.09 1a9x h PRO 7546N 7.42 0.24 0.00 4.34 0.11 -1.89 -2.26 132.00 139.97 1a9x h PRO 7546Ca -0.27 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1a9x h PRO 7546Cb 1.12 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1a9x h PRO 7546CO 0.85 0.16 0.42 0.77 -0.21 0.00 0.00 178.00 179.99 1a9x h SER 7547N 0.25 0.00 -0.17 -2.05 0.02 -1.84 0.95 113.55 110.71 1a9x h SER 7547Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1a9x h SER 7547Cb 0.76 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.30 1a9x h SER 7547CO -0.06 0.00 0.00 -1.22 -1.14 0.00 0.00 176.83 174.41 1a9x n TYR 7548N -2.60 0.21 -1.65 3.45 4.01 -0.85 -4.32 117.16 115.41 1a9x n TYR 7548Ca -0.01 -0.11 -0.44 0.00 -0.16 0.00 0.00 57.90 57.17 1a9x n TYR 7548Cb 0.45 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.46 1a9x n TYR 7548CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1a9x n SER 7549N 0.45 2.22 -1.66 7.72 2.88 0.33 -0.75 113.62 124.81 1a9x n SER 7549Ca 0.17 1.17 -0.19 0.00 -1.33 0.00 0.00 58.87 58.69 1a9x n SER 7549Cb 0.37 -1.38 -0.06 0.00 -0.75 0.00 0.00 64.21 62.39 1a9x n SER 7549CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1a9x n ARG 7550N 1.22 -1.37 -4.96 -1.46 5.12 -1.26 -4.67 116.66 109.29 1a9x n ARG 7550Ca 0.09 1.08 -0.27 0.00 -1.93 0.00 0.00 57.85 56.83 1a9x n ARG 7550Cb 0.32 -5.46 -0.15 0.00 -1.16 0.00 0.00 32.46 26.01 1a9x n ARG 7550CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1a9x s GLN 7551N -4.01 1.62 -0.33 5.56 -0.21 0.07 -2.11 119.66 120.26 1a9x s GLN 7551Ca 0.00 -0.75 -0.13 0.00 0.02 0.00 0.00 55.36 54.50 1a9x s GLN 7551Cb 0.00 -1.58 -0.02 0.00 1.00 0.00 0.00 33.01 32.41 1a9x s GLN 7551CO 0.00 0.43 0.28 0.42 -2.12 0.00 0.00 175.29 174.30 1a9x s ILE 7552N -0.51 5.25 -0.18 1.08 1.01 0.23 0.87 121.20 128.96 1a9x s ILE 7552Ca 0.08 -0.07 -0.22 0.00 0.00 0.00 0.00 60.65 60.43 1a9x s ILE 7552Cb -0.08 -3.73 -0.02 0.00 0.01 0.00 0.00 42.46 38.64 1a9x s ILE 7552CO -0.01 -0.00 0.70 -0.69 0.00 0.00 0.00 174.94 174.94 1a9x s VAL 7553N 1.83 4.98 -0.24 2.92 1.01 -0.00 -1.58 120.40 129.31 1a9x s VAL 7553Ca 0.08 1.34 -0.06 0.00 0.00 0.00 0.00 61.98 63.35 1a9x s VAL 7553Cb -0.17 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 1a9x s VAL 7553CO 0.11 0.10 0.01 -0.89 0.00 0.00 0.00 175.10 174.43 1a9x s THR 7554N 1.88 3.81 -0.24 3.92 2.01 0.95 -0.10 115.64 127.87 1a9x s THR 7554Ca 0.32 -0.38 -0.12 0.00 0.31 0.00 0.00 61.69 61.82 1a9x s THR 7554Cb -0.16 -2.78 -0.05 0.00 0.01 0.00 0.00 72.50 69.52 1a9x s THR 7554CO 0.12 0.36 0.24 -0.76 -0.69 0.00 0.00 174.62 173.88 1a9x s LEU 7555N 1.54 4.10 0.24 4.42 1.43 -0.69 -1.03 118.68 128.69 1a9x s LEU 7555Ca 0.06 0.19 -0.05 0.00 -1.03 0.00 0.00 54.13 53.30 1a9x s LEU 7555Cb -0.15 -2.23 0.25 0.00 0.03 0.00 0.00 46.19 44.10 1a9x s LEU 7555CO 0.00 -0.01 1.76 0.71 0.23 0.00 0.00 176.35 179.04 1a9x h THR 7556N 5.12 1.25 -2.70 5.49 1.35 -1.82 -3.42 112.91 118.18 1a9x h THR 7556Ca -0.36 -0.95 -0.55 0.00 -0.55 0.00 0.00 66.41 63.99 1a9x h THR 7556Cb 1.17 0.67 -0.02 0.00 -1.73 0.00 0.00 68.15 68.25 1a9x h THR 7556CO 0.65 0.35 1.05 -0.47 -0.25 0.00 0.00 175.52 176.85 1a9x s TYR 7557N -5.18 2.20 0.27 4.73 5.04 -1.26 -4.92 117.35 118.22 1a9x s TYR 7557Ca -0.11 0.43 -0.01 0.00 -2.44 0.00 0.00 57.07 54.95 1a9x s TYR 7557Cb 0.15 -3.83 0.50 0.00 0.35 0.00 0.00 41.96 39.13 1a9x s TYR 7557CO 0.83 -3.23 1.81 -1.00 -1.34 0.00 0.00 175.55 172.62 1a9x h PRO 7558N 9.40 0.84 -4.32 4.97 0.13 -1.94 -3.39 132.00 137.69 1a9x h PRO 7558Ca -0.35 -0.05 -0.74 0.00 -0.87 0.00 0.00 66.00 63.99 1a9x h PRO 7558Cb 1.16 -0.19 -0.22 0.00 0.13 0.00 0.00 31.00 31.87 1a9x h PRO 7558CO 0.96 0.55 -0.24 -1.01 -0.23 0.00 0.00 178.00 178.04 1a9x s HIS 7559N -5.98 3.21 -0.20 1.56 3.76 -1.26 -0.99 115.29 115.39 1a9x s HIS 7559Ca -0.12 -1.01 -0.04 0.00 -0.15 0.00 0.00 55.06 53.75 1a9x s HIS 7559Cb 0.21 -3.44 -0.01 0.00 1.11 0.00 0.00 32.58 30.44 1a9x s HIS 7559CO 0.79 -0.91 -0.05 0.42 -0.85 0.00 0.00 174.74 174.14 1a9x s ILE 7560N 1.78 3.48 0.00 0.60 -1.09 -0.45 -4.43 121.20 121.09 1a9x s ILE 7560Ca 0.05 -0.47 0.00 0.00 -2.23 0.00 0.00 60.65 58.00 1a9x s ILE 7560Cb -0.26 -2.56 0.00 0.00 -1.58 0.00 0.00 42.46 38.06 1a9x s ILE 7560CO 0.06 0.44 0.00 0.61 -1.23 0.00 0.00 174.94 174.82 1a9x n GLY 7561N 4.41 1.29 0.37 6.18 0.00 -1.26 -4.14 105.19 112.05 1a9x n GLY 7561Ca -0.18 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.04 1a9x n GLY 7561CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1a9x h ASN 7562N 0.00 0.00 -0.25 1.61 2.35 -1.84 -2.12 115.58 115.33 1a9x h ASN 7562Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1a9x h ASN 7562Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1a9x h ASN 7562CO 0.00 0.00 0.00 1.33 -1.65 0.00 0.00 177.43 177.11 1a9x n VAL 7563N -4.01 1.49 -4.78 2.81 0.24 -1.26 -0.22 118.33 112.60 1a9x n VAL 7563Ca 0.07 -1.38 0.00 0.00 -2.04 0.00 0.00 64.34 60.99 1a9x n VAL 7563Cb 0.55 0.20 0.00 0.00 -1.47 0.00 0.00 33.84 33.11 1a9x n VAL 7563CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a9x n GLY 7564N -0.08 1.64 3.34 7.63 0.00 -0.80 -4.14 105.19 112.79 1a9x n GLY 7564Ca 0.14 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.47 1a9x n GLY 7564CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a9x s THR 7565N 0.00 0.06 0.01 2.61 -4.23 -0.89 -4.73 115.64 108.47 1a9x s THR 7565Ca 0.00 -1.44 -0.28 0.00 -1.18 0.00 0.00 61.69 58.80 1a9x s THR 7565Cb 0.00 -1.89 0.09 0.00 1.34 0.00 0.00 72.50 72.03 1a9x s THR 7565CO 0.00 -0.28 0.76 0.54 -0.54 0.00 0.00 174.62 175.10 1a9x s ASN 7566N -2.98 -0.50 0.30 3.99 2.20 -1.26 0.29 114.94 116.98 1a9x s ASN 7566Ca 0.19 0.23 0.00 0.00 -0.94 0.00 0.00 52.86 52.34 1a9x s ASN 7566Cb 0.03 0.48 0.48 0.00 -2.00 0.00 0.00 41.25 40.24 1a9x s ASN 7566CO 0.01 -0.69 1.88 0.44 -2.94 0.00 0.00 177.10 175.80 1a9x h ASP 7567N 2.32 0.74 0.27 3.54 5.19 -1.98 -2.56 116.42 123.94 1a9x h ASP 7567Ca -0.26 -0.10 -0.01 0.00 -0.62 0.00 0.00 57.03 56.03 1a9x h ASP 7567Cb 1.23 -0.19 -0.00 0.00 0.18 0.00 0.00 39.33 40.55 1a9x h ASP 7567CO 0.35 0.68 -0.06 0.00 -3.12 0.00 0.00 179.24 177.10 1a9x h ALA 7568N 1.42 1.25 -0.52 3.45 0.00 -1.97 -2.11 119.26 120.79 1a9x h ALA 7568Ca 0.19 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 1a9x h ALA 7568Cb 0.20 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.88 1a9x h ALA 7568CO -0.01 0.07 0.20 -0.25 0.00 0.00 0.00 179.25 179.26 1a9x n ASP 7569N -3.51 3.92 -4.55 0.00 8.00 -0.96 -4.84 116.55 114.60 1a9x n ASP 7569Ca -0.02 -2.84 -0.38 0.00 0.71 0.00 0.00 54.79 52.26 1a9x n ASP 7569Cb 0.17 -0.67 -0.11 0.00 -0.02 0.00 0.00 41.12 40.49 1a9x n ASP 7569CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1a9x s GLU 7570N -2.22 3.86 0.00 -1.24 2.02 -0.79 -2.86 118.70 117.47 1a9x s GLU 7570Ca 0.38 -0.37 0.29 0.00 0.02 0.00 0.00 54.97 55.29 1a9x s GLU 7570Cb 0.30 -3.56 1.20 0.00 0.10 0.00 0.00 34.13 32.18 1a9x s GLU 7570CO 0.09 -0.18 1.84 0.39 0.02 0.00 0.00 175.26 177.42 1a9x n GLU 7571N 5.01 0.98 -3.70 1.61 -0.58 -1.26 -4.87 120.64 117.83 1a9x n GLU 7571Ca -0.15 -0.41 -0.05 0.00 -0.42 0.00 0.00 57.16 56.14 1a9x n GLU 7571Cb 0.52 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 29.88 1a9x n GLU 7571CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1a9x s SER 7572N -2.30 -0.22 0.60 1.62 1.04 -1.11 -0.53 113.70 112.79 1a9x s SER 7572Ca 0.33 -0.32 0.30 0.00 0.48 0.00 0.00 55.95 56.74 1a9x s SER 7572Cb 0.20 0.48 1.73 0.00 0.10 0.00 0.00 66.02 68.53 1a9x s SER 7572CO 0.44 -0.86 2.12 0.77 0.98 0.00 0.00 173.24 176.68 1a9x h SER 7573N 2.00 0.00 -5.65 7.02 4.64 -1.89 -3.44 113.55 116.23 1a9x h SER 7573Ca -0.24 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.76 1a9x h SER 7573Cb 1.24 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.21 1a9x h SER 7573CO 0.27 0.00 -0.36 0.00 -0.87 0.00 0.00 176.83 175.86 1a9x s GLN 7574N -4.55 1.71 -0.46 4.77 -2.07 -1.26 -5.09 119.66 112.71 1a9x s GLN 7574Ca -0.05 -1.79 -0.28 0.00 -1.82 0.00 0.00 55.36 51.43 1a9x s GLN 7574Cb 0.15 0.37 0.03 0.00 -1.09 0.00 0.00 33.01 32.47 1a9x s GLN 7574CO 0.52 -0.66 1.06 0.08 -1.32 0.00 0.00 175.29 174.96 1a9x s VAL 7575N -3.45 4.32 -0.10 3.63 1.01 -1.26 -4.38 120.40 120.16 1a9x s VAL 7575Ca 0.35 1.12 0.16 0.00 0.00 0.00 0.00 61.98 63.61 1a9x s VAL 7575Cb 0.02 -4.53 -0.15 0.00 0.00 0.00 0.00 36.38 31.72 1a9x s VAL 7575CO 0.21 -0.90 0.82 0.45 0.00 0.00 0.00 175.10 175.68 1a9x h HIS 7576N 9.07 0.00 -3.05 5.22 -0.00 -0.99 -3.47 115.15 121.92 1a9x h HIS 7576Ca -0.23 0.00 -0.56 0.00 -0.00 0.00 0.00 60.37 59.58 1a9x h HIS 7576Cb 1.07 0.00 0.09 0.00 -0.00 0.00 0.00 27.41 28.57 1a9x h HIS 7576CO 0.93 0.67 0.68 0.00 -0.00 0.00 0.00 177.93 180.21 1a9x n ALA 7577N -2.42 1.63 -0.09 2.45 0.00 -1.05 -3.94 120.51 117.09 1a9x n ALA 7577Ca -0.11 0.39 -0.02 0.00 0.00 0.00 0.00 53.44 53.70 1a9x n ALA 7577Cb 0.88 -2.33 0.22 0.00 0.00 0.00 0.00 19.45 18.23 1a9x n ALA 7577CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1a9x h GLN 7578N 3.95 0.73 -2.89 0.00 5.75 0.35 -3.46 115.11 119.53 1a9x h GLN 7578Ca -0.46 -0.15 0.05 0.00 -0.15 0.00 0.00 58.65 57.94 1a9x h GLN 7578Cb 1.26 -0.11 -0.08 0.00 1.07 0.00 0.00 27.48 29.62 1a9x h GLN 7578CO 0.73 0.69 0.26 0.20 -2.65 0.00 0.00 178.83 178.06 1a9x s GLY 7579N -3.71 -0.29 -0.04 2.39 0.00 -1.19 -4.43 107.32 100.06 1a9x s GLY 7579Ca -0.09 0.06 0.05 0.00 0.00 0.00 0.00 44.72 44.74 1a9x s GLY 7579CO 0.79 0.02 -0.20 -2.27 0.00 0.00 0.00 173.10 171.45 1a9x s LEU 7580N -2.84 1.98 -0.21 0.66 2.96 -0.93 -0.82 118.68 119.48 1a9x s LEU 7580Ca 0.08 -0.39 -0.00 0.00 -0.22 0.00 0.00 54.13 53.60 1a9x s LEU 7580Cb -0.04 -1.07 0.05 0.00 0.50 0.00 0.00 46.19 45.64 1a9x s LEU 7580CO -0.01 0.20 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.49 1a9x s VAL 7581N -0.16 1.25 0.15 1.68 1.01 0.86 -0.06 120.40 125.14 1a9x s VAL 7581Ca -0.00 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.06 1a9x s VAL 7581Cb -0.11 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 1a9x s VAL 7581CO 0.02 -0.05 -0.05 0.27 0.00 0.00 0.00 175.10 175.28 1a9x s ILE 7582N 1.54 0.91 -0.04 2.22 -4.36 -0.71 -1.70 121.20 119.05 1a9x s ILE 7582Ca -0.03 -2.01 -0.14 0.00 -0.26 0.00 0.00 60.65 58.21 1a9x s ILE 7582Cb -0.18 -1.95 -0.31 0.00 1.25 0.00 0.00 42.46 41.28 1a9x s ILE 7582CO -0.07 -0.65 0.74 -0.09 0.24 0.00 0.00 174.94 175.11 1a9x h ARG 7583N 2.76 0.39 -2.52 0.37 9.65 -1.74 -2.50 114.38 120.79 1a9x h ARG 7583Ca -0.36 -0.66 -0.09 0.00 -1.10 0.00 0.00 59.98 57.76 1a9x h ARG 7583Cb 1.19 0.25 -0.25 0.00 -1.39 0.00 0.00 29.97 29.77 1a9x h ARG 7583CO 0.64 1.32 -0.21 0.34 2.80 0.00 0.00 179.97 184.86 1a9x s ASP 7584N -7.28 -0.59 -0.31 -3.80 2.15 -0.16 -1.63 116.67 105.05 1a9x s ASP 7584Ca -0.15 1.02 -0.11 0.00 0.43 0.00 0.00 52.55 53.74 1a9x s ASP 7584Cb 0.04 0.93 -0.02 0.00 -0.30 0.00 0.00 42.92 43.57 1a9x s ASP 7584CO 0.85 -0.20 0.18 -0.22 -0.17 0.00 0.00 175.17 175.61 1a9x s LEU 7585N 1.17 4.13 0.46 -1.34 2.96 -1.26 -1.34 118.68 123.46 1a9x s LEU 7585Ca -0.07 -0.35 -0.24 0.00 -0.22 0.00 0.00 54.13 53.24 1a9x s LEU 7585Cb -0.07 -2.06 -0.07 0.00 0.50 0.00 0.00 46.19 44.49 1a9x s LEU 7585CO -0.11 -0.16 1.33 -2.16 -1.32 0.00 0.00 176.35 173.94 1a9x s PRO 7586N 1.68 3.65 0.27 0.98 0.04 -1.26 -4.91 135.00 135.44 1a9x s PRO 7586Ca 0.06 2.19 -0.00 0.00 0.04 0.00 0.00 61.00 63.29 1a9x s PRO 7586Cb -0.17 -2.55 0.59 0.00 0.04 0.00 0.00 34.50 32.41 1a9x s PRO 7586CO 0.08 -0.77 1.71 -0.07 0.04 0.00 0.00 177.00 178.00 1a9x h LEU 7587N 2.19 0.28 -8.41 -3.56 4.07 -1.97 -3.43 115.31 104.49 1a9x h LEU 7587Ca -0.50 0.13 -0.18 0.00 0.08 0.00 0.00 57.88 57.41 1a9x h LEU 7587Cb 1.27 0.12 -0.15 0.00 1.08 0.00 0.00 40.66 42.98 1a9x h LEU 7587CO 0.60 0.04 -0.66 0.27 -1.08 0.00 0.00 178.44 177.62 1a9x s ILE 7588N -5.96 0.25 -0.09 1.22 -4.36 -1.26 -5.13 121.20 105.86 1a9x s ILE 7588Ca -0.12 -1.89 -0.13 0.00 -0.26 0.00 0.00 60.65 58.25 1a9x s ILE 7588Cb 0.23 -1.88 -0.05 0.00 1.25 0.00 0.00 42.46 42.01 1a9x s ILE 7588CO 0.77 -0.64 0.31 0.00 0.24 0.00 0.00 174.94 175.62 1a9x s ALA 7589N -3.93 3.68 -0.40 2.27 0.00 -1.26 -4.71 121.76 117.41 1a9x s ALA 7589Ca 0.18 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 51.77 1a9x s ALA 7589Cb 0.07 -2.32 0.15 0.00 0.00 0.00 0.00 23.12 21.02 1a9x s ALA 7589CO -0.02 0.33 0.26 0.45 0.00 0.00 0.00 175.76 176.79 1a9x s SER 7590N -0.38 2.66 -0.26 0.00 0.15 0.69 -4.85 113.70 111.71 1a9x s SER 7590Ca 0.19 -2.58 -0.19 0.00 0.70 0.00 0.00 55.95 54.07 1a9x s SER 7590Cb -0.14 -0.55 0.07 0.00 -1.71 0.00 0.00 66.02 63.69 1a9x s SER 7590CO 0.08 -0.25 0.67 0.21 1.20 0.00 0.00 173.24 175.15 1a9x s ASN 7591N 0.56 -0.83 0.30 5.45 3.84 -1.26 -4.74 114.94 118.27 1a9x s ASN 7591Ca 0.23 1.43 0.19 0.00 0.21 0.00 0.00 52.86 54.92 1a9x s ASN 7591Cb -0.14 1.36 1.04 0.00 -0.55 0.00 0.00 41.25 42.96 1a9x s ASN 7591CO -0.06 -0.24 1.57 2.22 -2.79 0.00 0.00 177.10 177.80 1a9x n PHE 7592N 3.64 0.65 0.67 0.43 -1.74 -1.26 -1.25 117.46 118.61 1a9x n PHE 7592Ca -0.18 0.34 0.11 0.00 -0.56 0.00 0.00 57.45 57.16 1a9x n PHE 7592Cb 0.57 -1.02 -0.01 0.00 1.52 0.00 0.00 39.48 40.55 1a9x n PHE 7592CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 1a9x n ARG 7593N -2.18 0.22 -1.74 3.97 1.74 -1.26 -4.93 116.66 112.48 1a9x n ARG 7593Ca -0.01 -0.02 -0.42 0.00 -0.77 0.00 0.00 57.85 56.63 1a9x n ARG 7593Cb 0.07 -1.55 -0.02 0.00 -1.02 0.00 0.00 32.46 29.94 1a9x n ARG 7593CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1a9x n ASN 7594N -1.83 3.72 0.00 0.55 5.15 -0.38 -4.58 115.26 117.90 1a9x n ASN 7594Ca 0.02 1.15 0.00 0.00 -0.60 0.00 0.00 54.58 55.15 1a9x n ASN 7594Cb 0.41 -1.58 0.00 0.00 -0.53 0.00 0.00 39.78 38.09 1a9x n ASN 7594CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1a9x n THR 7595N 2.00 0.00 -3.65 -0.44 -2.24 0.15 -4.94 114.28 105.17 1a9x n THR 7595Ca 0.08 -0.49 0.01 0.00 -2.27 0.00 0.00 64.05 61.38 1a9x n THR 7595Cb 0.36 1.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.53 1a9x n THR 7595CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1a9x s GLU 7596N -0.94 0.17 0.68 -0.78 2.12 -1.21 -4.99 118.70 113.74 1a9x s GLU 7596Ca 0.00 0.29 -0.17 0.00 0.36 0.00 0.00 54.97 55.45 1a9x s GLU 7596Cb 0.00 0.03 0.01 0.00 0.26 0.00 0.00 34.13 34.43 1a9x s GLU 7596CO 0.00 -0.04 1.26 0.16 -0.54 0.00 0.00 175.26 176.11 1a9x s ASP 7597N 1.16 4.44 0.25 -1.70 -4.77 -1.26 -2.09 116.67 112.70 1a9x s ASP 7597Ca -0.08 2.53 -0.03 0.00 -3.30 0.00 0.00 52.55 51.67 1a9x s ASP 7597Cb -0.03 -2.61 0.50 0.00 -1.09 0.00 0.00 42.92 39.70 1a9x s ASP 7597CO -0.12 -2.11 1.73 0.25 0.70 0.00 0.00 175.17 175.62 1a9x h LEU 7598N 0.24 0.29 -0.54 2.11 5.85 -1.85 -1.67 115.31 119.74 1a9x h LEU 7598Ca -0.50 0.12 -0.12 0.00 0.84 0.00 0.00 57.88 58.22 1a9x h LEU 7598Cb 1.32 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.43 1a9x h LEU 7598CO 0.52 0.09 -0.16 -1.28 -0.34 0.00 0.00 178.44 177.27 1a9x h SER 7599N 0.44 1.02 -0.70 1.25 0.87 -1.91 -0.88 113.55 113.65 1a9x h SER 7599Ca 0.44 -0.36 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 1a9x h SER 7599Cb 0.69 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.34 1a9x h SER 7599CO -0.42 1.16 0.36 0.28 -0.53 0.00 0.00 176.83 177.67 1a9x h SER 7600N 0.89 0.89 -0.26 6.23 0.02 -1.65 -2.12 113.55 117.56 1a9x h SER 7600Ca 0.13 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1a9x h SER 7600Cb 0.73 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 1a9x h SER 7600CO 0.06 0.75 0.17 0.22 -1.14 0.00 0.00 176.83 176.89 1a9x h TYR 7601N 0.96 0.32 0.01 3.45 3.20 -1.13 0.33 116.97 124.12 1a9x h TYR 7601Ca 0.24 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.14 1a9x h TYR 7601Cb 0.08 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 1a9x h TYR 7601CO 0.00 0.21 -0.14 -0.07 -1.64 0.00 0.00 178.16 176.53 1a9x h LEU 7602N 0.34 -0.40 0.08 2.82 3.38 -0.92 -0.12 115.31 120.50 1a9x h LEU 7602Ca 0.09 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.14 1a9x h LEU 7602Cb -0.03 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1a9x h LEU 7602CO -0.02 -0.20 -0.20 0.11 0.09 0.00 0.00 178.44 178.23 1a9x h LYS 7603N -0.24 -0.35 -0.95 1.13 1.57 -1.22 0.47 116.57 116.97 1a9x h LYS 7603Ca 0.04 0.02 0.23 0.00 -1.87 0.00 0.00 60.65 59.08 1a9x h LYS 7603Cb 0.29 0.08 -0.12 0.00 0.08 0.00 0.00 32.23 32.56 1a9x h LYS 7603CO -0.13 -0.24 0.50 -0.09 -0.57 0.00 0.00 179.45 178.93 1a9x h ARG 7604N -0.37 0.49 -0.01 3.15 2.43 0.19 -0.47 114.38 119.80 1a9x h ARG 7604Ca 0.03 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1a9x h ARG 7604Cb 0.40 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1a9x h ARG 7604CO -0.13 0.33 -0.18 0.72 -1.51 0.00 0.00 179.97 179.20 1a9x n HIS 7605N -4.95 0.00 -3.48 2.20 8.25 -0.11 -4.97 115.22 112.16 1a9x n HIS 7605Ca 0.24 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.51 1a9x n HIS 7605Cb 0.69 -0.08 0.08 0.00 1.12 0.00 0.00 29.99 31.80 1a9x n HIS 7605CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1a9x n ASN 7606N -0.38 -3.87 -4.62 0.41 3.02 0.15 -4.98 115.26 104.98 1a9x n ASN 7606Ca 0.14 -0.57 -0.34 0.00 -0.03 0.00 0.00 54.58 53.77 1a9x n ASN 7606Cb 0.35 -5.00 -0.10 0.00 -0.61 0.00 0.00 39.78 34.42 1a9x n ASN 7606CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1a9x s ILE 7607N -3.34 4.56 -0.22 2.41 -1.09 -0.54 -4.84 121.20 118.14 1a9x s ILE 7607Ca 0.25 -0.12 -0.28 0.00 -2.23 0.00 0.00 60.65 58.27 1a9x s ILE 7607Cb -0.11 -3.02 0.00 0.00 -1.58 0.00 0.00 42.46 37.75 1a9x s ILE 7607CO 0.72 0.50 0.97 -0.69 -1.23 0.00 0.00 174.94 175.20 1a9x s VAL 7608N 0.13 4.74 0.02 2.92 1.01 -1.26 -0.09 120.40 127.86 1a9x s VAL 7608Ca 0.03 1.88 0.01 0.00 0.00 0.00 0.00 61.98 63.90 1a9x s VAL 7608Cb -0.13 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 31.99 1a9x s VAL 7608CO 0.01 -0.13 -0.04 0.00 0.00 0.00 0.00 175.10 174.95 1a9x s ALA 7609N 2.98 0.24 -0.02 5.51 0.00 -1.26 -2.19 121.76 127.02 1a9x s ALA 7609Ca 0.41 -0.41 0.05 0.00 0.00 0.00 0.00 51.96 52.02 1a9x s ALA 7609Cb -0.15 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 1a9x s ALA 7609CO 0.07 -0.04 -0.17 -1.50 0.00 0.00 0.00 175.76 174.12 1a9x s ILE 7610N -0.82 1.39 0.49 0.00 2.07 0.91 -2.06 121.20 123.18 1a9x s ILE 7610Ca -0.07 -0.73 0.03 0.00 -1.41 0.00 0.00 60.65 58.46 1a9x s ILE 7610Cb -0.06 -1.17 -0.03 0.00 0.13 0.00 0.00 42.46 41.33 1a9x s ILE 7610CO -0.00 0.40 0.02 0.00 -1.91 0.00 0.00 174.94 173.44 1a9x s ALA 7611N -0.25 3.90 -1.07 1.50 0.00 0.75 -1.74 121.76 124.85 1a9x s ALA 7611Ca 0.03 -0.87 -0.02 0.00 0.00 0.00 0.00 51.96 51.10 1a9x s ALA 7611Cb -0.08 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.07 1a9x s ALA 7611CO 0.00 -0.06 0.31 -0.25 0.00 0.00 0.00 175.76 175.76 1a9x n ASP 7612N -1.21 -4.51 -4.65 0.00 8.00 -0.65 -1.18 116.55 112.35 1a9x n ASP 7612Ca -0.15 -0.15 -0.24 0.00 0.71 0.00 0.00 54.79 54.96 1a9x n ASP 7612Cb 0.67 -3.45 -0.07 0.00 -0.02 0.00 0.00 41.12 38.25 1a9x n ASP 7612CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1a9x s ILE 7613N -2.90 3.52 -1.14 0.53 -5.25 -1.16 -4.73 121.20 110.07 1a9x s ILE 7613Ca 0.15 -1.80 -0.19 0.00 -0.99 0.00 0.00 60.65 57.83 1a9x s ILE 7613Cb -0.07 -2.86 0.09 0.00 2.95 0.00 0.00 42.46 42.58 1a9x s ILE 7613CO 0.19 -0.32 1.49 -0.62 -1.79 0.00 0.00 174.94 173.89 1a9x s ASP 7614N -3.52 6.75 0.60 4.36 -1.08 -1.26 -4.26 116.67 118.26 1a9x s ASP 7614Ca 0.30 -2.20 0.39 0.00 -0.52 0.00 0.00 52.55 50.52 1a9x s ASP 7614Cb -0.07 -2.51 1.84 0.00 -1.46 0.00 0.00 42.92 40.72 1a9x s ASP 7614CO 0.20 -1.17 2.16 0.71 0.52 0.00 0.00 175.17 177.59 1a9x h THR 7615N 5.79 0.00 -0.07 1.71 1.35 -1.93 -2.06 112.91 117.71 1a9x h THR 7615Ca 0.30 -0.29 -0.13 0.00 -0.55 0.00 0.00 66.41 65.74 1a9x h THR 7615Cb 0.94 1.29 0.01 0.00 -1.73 0.00 0.00 68.15 68.65 1a9x h THR 7615CO 1.35 0.00 -0.48 -0.09 -0.25 0.00 0.00 175.52 176.05 1a9x h ARG 7616N 0.00 0.44 -0.32 4.72 2.43 -1.91 0.11 114.38 119.84 1a9x h ARG 7616Ca -0.00 -0.39 0.03 0.00 -0.81 0.00 0.00 59.98 58.82 1a9x h ARG 7616Cb 0.29 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 1a9x h ARG 7616CO 0.00 1.03 0.13 -0.22 -1.51 0.00 0.00 179.97 179.40 1a9x h LYS 7617N -0.02 0.27 0.13 0.20 3.64 -1.84 -1.28 116.57 117.67 1a9x h LYS 7617Ca -0.04 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1a9x h LYS 7617Cb 1.14 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.88 1a9x h LYS 7617CO 0.10 0.18 -0.18 1.25 -2.27 0.00 0.00 179.45 178.53 1a9x h LEU 7618N 0.28 -0.49 -0.55 5.20 5.85 -1.34 -2.52 115.31 121.75 1a9x h LEU 7618Ca 0.14 0.05 0.09 0.00 0.84 0.00 0.00 57.88 59.00 1a9x h LEU 7618Cb 0.09 0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.23 1a9x h LEU 7618CO -0.13 -0.26 0.17 0.74 -0.34 0.00 0.00 178.44 178.63 1a9x h THR 7619N -0.36 0.76 -0.19 1.05 2.02 -0.26 -1.35 112.91 114.59 1a9x h THR 7619Ca 0.02 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 1a9x h THR 7619Cb 0.36 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1a9x h THR 7619CO -0.08 0.06 0.09 0.03 0.37 0.00 0.00 175.52 175.99 1a9x h ARG 7620N 0.34 0.25 -0.01 6.66 3.08 -1.06 0.37 114.38 124.01 1a9x h ARG 7620Ca 0.28 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.30 1a9x h ARG 7620Cb 0.35 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 1a9x h ARG 7620CO -0.31 0.20 -0.01 1.25 -1.07 0.00 0.00 179.97 180.03 1a9x h LEU 7621N 0.25 0.03 -1.59 3.04 5.85 -0.85 0.72 115.31 122.77 1a9x h LEU 7621Ca 0.07 -0.51 -0.04 0.00 0.84 0.00 0.00 57.88 58.24 1a9x h LEU 7621Cb 0.03 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1a9x h LEU 7621CO -0.01 0.53 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.41 1a9x h LEU 7622N -0.48 0.08 -0.04 2.25 3.38 -0.90 -0.36 115.31 119.24 1a9x h LEU 7622Ca 0.00 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1a9x h LEU 7622Cb 0.53 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1a9x h LEU 7622CO 0.00 0.23 -0.04 -0.09 0.09 0.00 0.00 178.44 178.63 1a9x h ARG 7623N 0.09 0.11 -0.09 1.13 2.43 -0.78 0.32 114.38 117.58 1a9x h ARG 7623Ca 0.02 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.09 1a9x h ARG 7623Cb 0.30 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1a9x h ARG 7623CO 0.02 0.56 -0.12 0.93 -1.51 0.00 0.00 179.97 179.85 1a9x h GLU 7624N -0.34 0.24 0.00 0.20 4.39 -0.47 -3.35 114.58 115.25 1a9x h GLU 7624Ca 0.01 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1a9x h GLU 7624Cb 0.54 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1a9x h GLU 7624CO 0.01 0.70 -1.26 1.63 -1.16 0.00 0.00 179.01 178.93 1a9x n LYS 7625N -4.63 0.21 0.00 2.33 5.02 -0.18 -5.09 118.16 115.82 1a9x n LYS 7625Ca -0.07 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 1a9x n LYS 7625Cb 0.35 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 1a9x n LYS 7625CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a9x n GLY 7626N 1.42 -0.21 3.58 0.72 0.00 0.10 -4.96 105.19 105.84 1a9x n GLY 7626Ca 0.02 -1.81 -0.39 0.00 0.00 0.00 0.00 46.02 43.84 1a9x n GLY 7626CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9x n ALA 7627N 0.03 -0.12 -3.15 4.61 0.00 -0.34 -4.48 120.51 117.05 1a9x n ALA 7627Ca 0.00 0.06 -0.12 0.00 0.00 0.00 0.00 53.44 53.38 1a9x n ALA 7627Cb 0.00 -2.04 -0.11 0.00 0.00 0.00 0.00 19.45 17.31 1a9x n ALA 7627CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1a9x s GLN 7628N -2.39 0.42 0.61 0.00 -0.21 -1.26 -5.05 119.66 111.78 1a9x s GLN 7628Ca 0.71 0.05 -0.07 0.00 0.02 0.00 0.00 55.36 56.07 1a9x s GLN 7628Cb -0.46 0.19 0.01 0.00 1.00 0.00 0.00 33.01 33.74 1a9x s GLN 7628CO 0.51 -0.09 0.95 -0.80 -2.12 0.00 0.00 175.29 173.75 1a9x s ASN 7629N -0.54 5.62 0.25 5.90 0.01 -1.26 -0.57 114.94 124.34 1a9x s ASN 7629Ca -0.06 0.86 -0.21 0.00 -0.71 0.00 0.00 52.86 52.73 1a9x s ASN 7629Cb -0.04 -1.82 0.05 0.00 0.41 0.00 0.00 41.25 39.85 1a9x s ASN 7629CO 0.01 -1.10 0.85 -0.83 -1.51 0.00 0.00 177.10 174.53 1a9x s GLY 7630N -4.30 -0.00 -0.01 0.66 0.00 0.37 -2.42 107.32 101.62 1a9x s GLY 7630Ca 0.55 -0.28 0.01 0.00 0.00 0.00 0.00 44.72 44.99 1a9x s GLY 7630CO 0.47 0.24 -0.02 0.00 0.00 0.00 0.00 173.10 173.80 1a9x s ILE 7632N 0.16 3.13 -0.12 0.00 1.01 0.40 0.57 121.20 126.36 1a9x s ILE 7632Ca -0.01 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.03 1a9x s ILE 7632Cb -0.03 -2.32 0.00 0.00 0.01 0.00 0.00 42.46 40.12 1a9x s ILE 7632CO -0.00 0.53 -0.23 -0.63 0.00 0.00 0.00 174.94 174.61 1a9x s ILE 7633N 0.29 2.10 -0.13 2.92 1.01 0.83 0.11 121.20 128.33 1a9x s ILE 7633Ca -0.09 -0.99 -0.00 0.00 0.00 0.00 0.00 60.65 59.57 1a9x s ILE 7633Cb -0.15 -1.82 0.03 0.00 0.01 0.00 0.00 42.46 40.52 1a9x s ILE 7633CO 0.05 0.55 -0.07 0.00 0.00 0.00 0.00 174.94 175.47 1a9x s ALA 7634N 0.57 1.43 0.00 9.38 0.00 0.45 -0.53 121.76 133.06 1a9x s ALA 7634Ca -0.13 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.15 1a9x s ALA 7634Cb -0.17 -1.00 0.00 0.00 0.00 0.00 0.00 23.12 21.95 1a9x s ALA 7634CO 0.04 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 175.67 1a9x n GLY 7635N 4.90 -1.24 0.26 0.00 0.00 -0.91 -0.14 105.19 108.07 1a9x n GLY 7635Ca -0.13 -0.82 0.05 0.00 0.00 0.00 0.00 46.02 45.12 1a9x n GLY 7635CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a9x h ASP 7636N 0.00 -0.01 -0.60 1.61 3.32 -1.97 -3.32 116.42 115.45 1a9x h ASP 7636Ca 0.00 0.14 -0.32 0.00 0.02 0.00 0.00 57.03 56.88 1a9x h ASP 7636Cb 0.00 0.20 -0.22 0.00 0.22 0.00 0.00 39.33 39.53 1a9x h ASP 7636CO 0.00 -0.04 -0.67 0.59 -1.72 0.00 0.00 179.24 177.40 1a9x n ASN 7637N -5.17 -1.66 -2.02 6.45 4.13 -1.26 -4.77 115.26 110.97 1a9x n ASN 7637Ca 0.13 -3.33 -0.27 0.00 1.68 0.00 0.00 54.58 52.79 1a9x n ASN 7637Cb 0.44 1.14 -0.04 0.00 -1.54 0.00 0.00 39.78 39.78 1a9x n ASN 7637CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1a9x n PRO 7638N 0.89 0.00 -3.04 3.52 -0.02 -1.26 -4.88 135.00 130.22 1a9x n PRO 7638Ca 0.12 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.17 1a9x n PRO 7638Cb 0.65 -0.66 -0.05 0.00 -0.02 0.00 0.00 33.50 33.41 1a9x n PRO 7638CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1a9x s ASP 7639N 0.35 6.26 0.12 2.55 2.15 -1.26 -4.94 116.67 121.90 1a9x s ASP 7639Ca 0.42 -0.75 -0.29 0.00 0.43 0.00 0.00 52.55 52.36 1a9x s ASP 7639Cb -0.59 -2.34 -0.08 0.00 -0.30 0.00 0.00 42.92 39.61 1a9x s ASP 7639CO 0.28 -1.04 1.60 0.00 -0.17 0.00 0.00 175.17 175.85 1a9x h ALA 7640N 9.13 -0.59 -0.68 3.66 0.00 -1.98 0.40 119.26 129.20 1a9x h ALA 7640Ca -0.27 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 54.73 1a9x h ALA 7640Cb 1.09 0.62 -0.10 0.00 0.00 0.00 0.00 17.79 19.40 1a9x h ALA 7640CO 1.02 -0.90 0.17 0.00 0.00 0.00 0.00 179.25 179.55 1a9x h ALA 7641N 0.06 0.86 -0.25 0.00 0.00 -1.98 0.62 119.26 118.57 1a9x h ALA 7641Ca 0.04 0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 1a9x h ALA 7641Cb 0.61 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1a9x h ALA 7641CO -0.25 -0.30 -0.33 1.25 0.00 0.00 0.00 179.25 179.62 1a9x h LEU 7642N 0.29 0.72 -0.33 0.00 5.85 -1.92 -0.08 115.31 119.85 1a9x h LEU 7642Ca 0.37 -0.50 0.04 0.00 0.84 0.00 0.00 57.88 58.63 1a9x h LEU 7642Cb 0.59 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 1a9x h LEU 7642CO -0.45 1.08 0.10 0.00 -0.34 0.00 0.00 178.44 178.83 1a9x h ALA 7643N 0.66 0.37 -0.43 1.25 0.00 0.23 0.98 119.26 122.32 1a9x h ALA 7643Ca 0.03 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1a9x h ALA 7643Cb 0.91 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1a9x h ALA 7643CO 0.08 -0.30 0.23 1.25 0.00 0.00 0.00 179.25 180.50 1a9x h LEU 7644N 0.23 0.55 -0.65 0.00 5.85 0.31 0.11 115.31 121.70 1a9x h LEU 7644Ca 0.15 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 1a9x h LEU 7644Cb 0.13 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1a9x h LEU 7644CO -0.16 0.49 0.19 -0.08 -0.34 0.00 0.00 178.44 178.54 1a9x h GLU 7645N 0.56 1.03 -0.40 1.25 4.81 -0.18 -0.25 114.58 121.39 1a9x h GLU 7645Ca 0.15 -0.23 -0.06 0.00 -0.13 0.00 0.00 59.36 59.09 1a9x h GLU 7645Cb 0.08 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 1a9x h GLU 7645CO -0.02 0.91 0.00 0.87 -0.73 0.00 0.00 179.01 180.04 1a9x h LYS 7646N 0.96 0.64 -0.48 1.92 1.57 0.13 -1.59 116.57 119.72 1a9x h LYS 7646Ca 0.21 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1a9x h LYS 7646Cb 0.32 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1a9x h LYS 7646CO -0.00 0.66 0.14 0.00 -0.57 0.00 0.00 179.45 179.67 1a9x h ALA 7647N 1.40 0.62 0.00 3.86 0.00 -0.16 -2.89 119.26 122.10 1a9x h ALA 7647Ca 0.13 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1a9x h ALA 7647Cb 0.38 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1a9x h ALA 7647CO 0.01 0.29 -0.46 0.00 0.00 0.00 0.00 179.25 179.10 1a9x h ARG 7648N 0.64 0.00 0.00 0.00 3.08 -0.89 -3.11 114.38 114.10 1a9x h ARG 7648Ca 0.15 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 1a9x h ARG 7648Cb 0.29 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 1a9x h ARG 7648CO -0.00 0.46 -0.09 0.00 -1.07 0.00 0.00 179.97 179.27 1a9x h ALA 7649N 1.54 1.04 -2.36 0.04 0.00 -1.09 -3.45 119.26 114.99 1a9x h ALA 7649Ca -0.00 -0.08 -0.56 0.00 0.00 0.00 0.00 54.91 54.26 1a9x h ALA 7649Cb 1.02 -0.01 0.05 0.00 0.00 0.00 0.00 17.79 18.85 1a9x h ALA 7649CO 0.06 0.11 0.94 0.34 0.00 0.00 0.00 179.25 180.70 1a9x n PHE 7650N -3.26 2.45 -0.08 0.00 7.35 -1.14 -4.92 117.46 117.85 1a9x n PHE 7650Ca -0.00 0.11 -0.08 0.00 -0.76 0.00 0.00 57.45 56.71 1a9x n PHE 7650Cb 0.32 -2.62 -0.01 0.00 0.35 0.00 0.00 39.48 37.52 1a9x n PHE 7650CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 1a9x h PRO 7651N 7.02 0.34 0.00 -7.13 0.13 -1.91 -3.49 132.00 126.96 1a9x h PRO 7651Ca -0.45 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1a9x h PRO 7651Cb 1.24 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1a9x h PRO 7651CO 0.92 0.22 0.00 0.41 -0.23 0.00 0.00 178.00 179.32 1a9x n GLY 7652N -1.18 2.76 0.28 1.56 0.00 -1.26 -4.87 105.19 102.47 1a9x n GLY 7652Ca -0.01 -1.32 0.07 0.00 0.00 0.00 0.00 46.02 44.76 1a9x n GLY 7652CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1a9x h LEU 7653N 0.00 0.17 -9.47 0.99 4.07 -1.94 -3.38 115.31 105.75 1a9x h LEU 7653Ca 0.00 -0.00 -0.61 0.00 0.08 0.00 0.00 57.88 57.35 1a9x h LEU 7653Cb 0.00 -0.04 0.07 0.00 1.08 0.00 0.00 40.66 41.76 1a9x h LEU 7653CO 0.00 0.13 0.61 -3.20 -1.08 0.00 0.00 178.44 174.90 1a9x n ASN 7654N -4.52 2.51 0.00 -0.43 4.05 -1.26 0.42 115.26 116.03 1a9x n ASN 7654Ca -0.01 1.11 0.00 0.00 0.45 0.00 0.00 54.58 56.14 1a9x n ASN 7654Cb 0.08 -1.36 0.00 0.00 1.23 0.00 0.00 39.78 39.73 1a9x n ASN 7654CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1a9x n GLY 7655N 2.70 1.16 3.52 8.20 0.00 -1.26 -4.95 105.19 114.56 1a9x n GLY 7655Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1a9x n GLY 7655CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1a9x s MET 7656N -0.21 3.34 -0.54 1.61 0.00 0.17 -4.76 119.30 118.90 1a9x s MET 7656Ca 0.00 -0.26 -0.27 0.00 0.00 0.00 0.00 55.69 55.16 1a9x s MET 7656Cb 0.00 -3.97 0.03 0.00 0.00 0.00 0.00 34.83 30.90 1a9x s MET 7656CO 0.00 -1.13 1.08 0.34 0.00 0.00 0.00 175.02 175.32 1a9x s ASP 7657N 2.20 6.45 -0.00 1.11 -1.08 -1.26 -0.28 116.67 123.81 1a9x s ASP 7657Ca 0.27 0.04 0.22 0.00 -0.52 0.00 0.00 52.55 52.56 1a9x s ASP 7657Cb -0.13 -2.51 -0.28 0.00 -1.46 0.00 0.00 42.92 38.53 1a9x s ASP 7657CO 0.20 -1.32 0.59 0.18 0.52 0.00 0.00 175.17 175.34 1a9x n LEU 7658N 7.93 0.19 -0.03 -1.34 4.77 -1.26 -4.45 117.00 122.81 1a9x n LEU 7658Ca 0.07 -0.01 -0.10 0.00 -0.03 0.00 0.00 56.01 55.94 1a9x n LEU 7658Cb 0.49 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.53 1a9x n LEU 7658CO 0.69 0.00 0.65 0.00 -1.33 0.00 0.00 177.39 177.40 1a9x h ALA 7659N 2.10 -0.31 0.00 -1.18 0.00 -1.77 0.20 119.26 118.31 1a9x h ALA 7659Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1a9x h ALA 7659Cb 0.95 0.61 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1a9x h ALA 7659CO 0.00 -0.77 0.14 1.57 0.00 0.00 0.00 179.25 180.19 1a9x h LYS 7660N -0.35 0.00 0.00 0.00 2.10 -1.87 -0.63 116.57 115.83 1a9x h LYS 7660Ca 0.12 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.63 1a9x h LYS 7660Cb 0.53 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.84 1a9x h LYS 7660CO -0.39 0.00 -1.05 0.93 -2.00 0.00 0.00 179.45 176.93 1a9x h GLU 7661N 0.00 0.00 -0.00 0.07 4.39 -0.86 -3.37 114.58 114.81 1a9x h GLU 7661Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1a9x h GLU 7661Cb 0.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1a9x h GLU 7661CO 0.00 0.33 -0.88 1.33 -1.16 0.00 0.00 179.01 178.63 1a9x n VAL 7662N -2.99 0.00 -1.11 3.13 0.24 -0.29 -5.00 118.33 112.32 1a9x n VAL 7662Ca -0.05 -0.06 -0.31 0.00 -2.04 0.00 0.00 64.34 61.88 1a9x n VAL 7662Cb 0.78 1.04 0.12 0.00 -1.47 0.00 0.00 33.84 34.30 1a9x n VAL 7662CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1a9x s THR 7663N -2.83 2.93 0.31 3.34 -1.32 -0.92 -4.66 115.64 112.49 1a9x s THR 7663Ca 0.09 0.30 -0.28 0.00 -1.21 0.00 0.00 61.69 60.59 1a9x s THR 7663Cb 0.16 -2.67 -0.09 0.00 -1.51 0.00 0.00 72.50 68.38 1a9x s THR 7663CO 0.79 -0.39 1.12 0.28 -2.21 0.00 0.00 174.62 174.21 1a9x s THR 7664N -2.84 3.39 0.02 5.08 -1.32 -1.26 -5.01 115.64 113.70 1a9x s THR 7664Ca 0.63 1.33 -0.25 0.00 -1.21 0.00 0.00 61.69 62.18 1a9x s THR 7664Cb -0.19 -3.82 -0.17 0.00 -1.51 0.00 0.00 72.50 66.81 1a9x s THR 7664CO 0.57 0.26 1.37 0.00 -2.21 0.00 0.00 174.62 174.61 1a9x h ALA 7665N 3.47 -0.27 -3.47 11.08 0.00 -1.99 -3.40 119.26 124.68 1a9x h ALA 7665Ca -0.47 -0.16 -0.66 0.00 0.00 0.00 0.00 54.91 53.61 1a9x h ALA 7665Cb 1.22 0.10 -0.18 0.00 0.00 0.00 0.00 17.79 18.93 1a9x h ALA 7665CO 0.66 -0.51 -0.80 -1.21 0.00 0.00 0.00 179.25 177.39 1a9x s GLU 7666N -4.97 1.71 0.52 0.00 2.02 -1.26 -4.83 118.70 111.89 1a9x s GLU 7666Ca -0.15 -1.31 -0.22 0.00 0.02 0.00 0.00 54.97 53.31 1a9x s GLU 7666Cb 0.03 -2.02 -0.06 0.00 0.10 0.00 0.00 34.13 32.18 1a9x s GLU 7666CO 0.60 0.45 1.23 0.00 0.02 0.00 0.00 175.26 177.56 1a9x s ALA 7667N -1.38 2.83 0.18 5.21 0.00 -1.26 -4.74 121.76 122.59 1a9x s ALA 7667Ca 0.19 1.08 -0.04 0.00 0.00 0.00 0.00 51.96 53.19 1a9x s ALA 7667Cb -0.09 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 1a9x s ALA 7667CO 0.10 -1.00 0.19 1.52 0.00 0.00 0.00 175.76 176.58 1a9x s TYR 7668N -1.48 0.82 -0.04 0.00 1.13 0.45 -4.94 117.35 113.29 1a9x s TYR 7668Ca 0.69 -1.13 -0.05 0.00 -1.41 0.00 0.00 57.07 55.17 1a9x s TYR 7668Cb -0.33 -0.34 -0.04 0.00 -1.10 0.00 0.00 41.96 40.16 1a9x s TYR 7668CO 0.38 -0.67 0.19 0.45 -2.51 0.00 0.00 175.55 173.39 1a9x s SER 7669N -3.07 6.42 -0.06 -0.18 0.15 -1.26 0.94 113.70 116.63 1a9x s SER 7669Ca 0.29 0.45 -0.01 0.00 0.70 0.00 0.00 55.95 57.37 1a9x s SER 7669Cb 0.05 -2.05 0.03 0.00 -1.71 0.00 0.00 66.02 62.34 1a9x s SER 7669CO 0.07 0.31 0.02 0.86 1.20 0.00 0.00 173.24 175.69 1a9x s TRP 7670N -1.22 0.49 -0.06 3.44 -0.11 -0.37 -4.95 118.94 116.17 1a9x s TRP 7670Ca 0.23 -0.05 0.17 0.00 1.22 0.00 0.00 56.10 57.68 1a9x s TRP 7670Cb -0.13 -0.69 0.34 0.00 -1.50 0.00 0.00 33.47 31.50 1a9x s TRP 7670CO 0.13 -0.28 1.15 0.25 -4.62 0.00 0.00 176.95 173.59 1a9x n THR 7671N 5.10 0.70 -3.75 5.86 -2.24 -1.26 -2.42 114.28 116.26 1a9x n THR 7671Ca -0.08 -1.49 -0.37 0.00 -2.27 0.00 0.00 64.05 59.84 1a9x n THR 7671Cb 0.50 0.51 -0.06 0.00 -2.10 0.00 0.00 70.33 69.18 1a9x n THR 7671CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1a9x s GLN 7672N -1.03 3.70 0.20 -0.78 0.74 -1.26 0.12 119.66 121.34 1a9x s GLN 7672Ca 0.29 -0.01 -0.00 0.00 0.05 0.00 0.00 55.36 55.69 1a9x s GLN 7672Cb 0.31 -3.24 0.04 0.00 1.10 0.00 0.00 33.01 31.22 1a9x s GLN 7672CO -0.10 0.66 0.27 0.41 -0.55 0.00 0.00 175.29 175.98 1a9x n GLY 7673N 2.25 0.67 3.85 2.59 0.00 -1.26 -4.02 105.19 109.27 1a9x n GLY 7673Ca -0.18 -1.97 -0.32 0.00 0.00 0.00 0.00 46.02 43.56 1a9x n GLY 7673CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a9x s SER 7674N -2.11 6.53 0.55 1.61 0.01 -1.26 -4.51 113.70 114.52 1a9x s SER 7674Ca 0.18 1.52 -0.19 0.00 1.31 0.00 0.00 55.95 58.77 1a9x s SER 7674Cb -0.01 -2.49 -0.06 0.00 0.21 0.00 0.00 66.02 63.67 1a9x s SER 7674CO 0.12 -0.65 1.14 0.86 0.41 0.00 0.00 173.24 175.12 1a9x s TRP 7675N -2.74 2.64 0.02 2.43 -0.00 -1.26 -4.28 118.94 115.75 1a9x s TRP 7675Ca 0.58 1.54 0.01 0.00 -0.00 0.00 0.00 56.10 58.23 1a9x s TRP 7675Cb -0.10 -3.31 -0.01 0.00 -0.00 0.00 0.00 33.47 30.05 1a9x s TRP 7675CO 0.36 -1.64 -0.05 0.95 -0.00 0.00 0.00 176.95 176.58 1a9x s THR 7676N -1.76 0.31 0.24 5.86 -4.23 -0.84 -4.92 115.64 110.29 1a9x s THR 7676Ca 0.73 -0.67 -0.05 0.00 -1.18 0.00 0.00 61.69 60.52 1a9x s THR 7676Cb -0.24 -0.36 0.20 0.00 1.34 0.00 0.00 72.50 73.43 1a9x s THR 7676CO 0.28 -0.24 1.80 0.25 -0.54 0.00 0.00 174.62 176.17 1a9x h LEU 7677N 5.14 0.61 -0.53 4.79 5.85 -1.98 1.45 115.31 130.64 1a9x h LEU 7677Ca -0.31 0.05 -0.16 0.00 0.84 0.00 0.00 57.88 58.30 1a9x h LEU 7677Cb 1.20 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1a9x h LEU 7677CO 0.44 0.35 -0.55 0.74 -0.34 0.00 0.00 178.44 179.09 1a9x h THR 7678N 0.74 1.32 0.00 1.05 2.02 -2.03 -3.35 112.91 112.66 1a9x h THR 7678Ca 0.37 -1.79 0.00 0.00 0.77 0.00 0.00 66.41 65.76 1a9x h THR 7678Cb 0.34 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 1a9x h THR 7678CO -0.24 0.56 -0.66 0.61 0.37 0.00 0.00 175.52 176.15 1a9x n GLY 7679N 0.24 0.15 7.00 2.16 0.00 -0.96 -5.11 105.19 108.67 1a9x n GLY 7679Ca -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1a9x n GLY 7679CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 7680N 1.50 -0.70 3.71 -0.02 0.00 0.49 -4.69 105.19 105.50 1a9x n GLY 7680Ca 0.00 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 1a9x n GLY 7680CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a9x s LEU 7681N 0.00 4.37 0.59 0.99 1.43 -1.26 -1.99 118.68 122.81 1a9x s LEU 7681Ca 0.00 2.14 -0.10 0.00 -1.03 0.00 0.00 54.13 55.15 1a9x s LEU 7681Cb 0.00 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.60 1a9x s LEU 7681CO 0.00 -0.54 0.98 -2.16 0.23 0.00 0.00 176.35 174.86 1a9x s PRO 7682N 1.05 3.56 0.49 1.29 0.04 -1.26 -5.01 135.00 135.16 1a9x s PRO 7682Ca 0.61 0.61 -0.22 0.00 0.04 0.00 0.00 61.00 62.05 1a9x s PRO 7682Cb -0.32 -2.14 -0.07 0.00 0.04 0.00 0.00 34.50 32.00 1a9x s PRO 7682CO 0.30 -0.51 1.15 -0.65 0.04 0.00 0.00 177.00 177.33 1a9x s GLN 7683N -5.09 3.62 0.43 4.56 -0.21 -1.26 -4.65 119.66 117.05 1a9x s GLN 7683Ca 0.53 1.70 -0.25 0.00 0.02 0.00 0.00 55.36 57.37 1a9x s GLN 7683Cb -0.11 -2.26 -0.10 0.00 1.00 0.00 0.00 33.01 31.54 1a9x s GLN 7683CO 0.52 -0.65 1.12 0.00 -2.12 0.00 0.00 175.29 174.16 1a9x n ALA 7684N -0.78 0.63 -1.83 6.09 0.00 -1.26 -4.68 120.51 118.69 1a9x n ALA 7684Ca 0.09 0.24 -0.32 0.00 0.00 0.00 0.00 53.44 53.45 1a9x n ALA 7684Cb 0.49 -2.16 -0.02 0.00 0.00 0.00 0.00 19.45 17.76 1a9x n ALA 7684CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1a9x s LYS 7685N -2.12 3.84 -0.01 0.00 1.02 0.32 -4.90 119.74 117.88 1a9x s LYS 7685Ca 0.63 0.96 -0.30 0.00 0.02 0.00 0.00 55.97 57.27 1a9x s LYS 7685Cb -0.53 -2.12 -0.03 0.00 -0.52 0.00 0.00 37.83 34.62 1a9x s LYS 7685CO 0.57 -0.37 1.06 0.15 -0.92 0.00 0.00 175.35 175.84 1a9x s LYS 7686N -4.21 4.48 0.22 1.68 1.02 -1.26 -4.70 119.74 116.96 1a9x s LYS 7686Ca 0.59 1.53 0.03 0.00 0.02 0.00 0.00 55.97 58.14 1a9x s LYS 7686Cb -0.11 -3.46 0.58 0.00 -0.52 0.00 0.00 37.83 34.32 1a9x s LYS 7686CO 0.35 -0.20 1.08 -1.91 -0.92 0.00 0.00 175.35 173.75 1a9x n GLU 7687N 4.28 -0.05 0.00 1.68 2.13 -1.26 0.94 120.64 128.36 1a9x n GLU 7687Ca 0.08 1.02 0.09 0.00 0.66 0.00 0.00 57.16 59.00 1a9x n GLU 7687Cb 0.49 -1.64 0.40 0.00 0.27 0.00 0.00 31.44 30.96 1a9x n GLU 7687CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1a9x n ASP 7688N -4.87 0.00 -1.27 4.31 5.68 -1.26 -2.65 116.55 116.49 1a9x n ASP 7688Ca 0.18 0.42 0.10 0.00 -0.50 0.00 0.00 54.79 54.99 1a9x n ASP 7688Cb 0.58 -0.47 0.30 0.00 -1.14 0.00 0.00 41.12 40.39 1a9x n ASP 7688CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1a9x n GLU 7689N -1.47 2.72 -3.68 0.11 1.02 0.27 -4.82 120.64 114.79 1a9x n GLU 7689Ca 0.05 -2.43 -0.29 0.00 -0.02 0.00 0.00 57.16 54.47 1a9x n GLU 7689Cb 0.20 -1.58 -0.15 0.00 -0.02 0.00 0.00 31.44 29.89 1a9x n GLU 7689CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1a9x s LEU 7690N -1.14 1.42 0.21 -4.62 1.43 -1.08 -4.94 118.68 109.97 1a9x s LEU 7690Ca 0.45 -1.29 -0.19 0.00 -1.03 0.00 0.00 54.13 52.07 1a9x s LEU 7690Cb 0.24 -0.63 0.20 0.00 0.03 0.00 0.00 46.19 46.04 1a9x s LEU 7690CO 0.29 -0.39 1.57 1.55 0.23 0.00 0.00 176.35 179.59 1a9x h PRO 7691N 8.23 -0.06 -6.29 1.29 0.13 -1.85 -3.41 132.00 130.04 1a9x h PRO 7691Ca -0.16 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.52 1a9x h PRO 7691Cb 1.05 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 1a9x h PRO 7691CO 0.42 -0.04 -0.37 -0.06 -0.23 0.00 0.00 178.00 177.72 1a9x s PHE 7692N -5.97 3.10 -0.26 1.56 0.08 0.46 -4.97 117.98 111.97 1a9x s PHE 7692Ca -0.14 -0.22 0.01 0.00 0.12 0.00 0.00 56.93 56.70 1a9x s PHE 7692Cb 0.19 -1.93 0.07 0.00 -0.57 0.00 0.00 43.02 40.78 1a9x s PHE 7692CO 0.71 0.06 -0.03 -1.58 -0.10 0.00 0.00 175.22 174.27 1a9x s HIS 7693N -2.18 2.62 -0.03 0.36 5.65 -1.26 -0.48 115.29 119.98 1a9x s HIS 7693Ca 0.43 -1.99 0.03 0.00 0.25 0.00 0.00 55.06 53.78 1a9x s HIS 7693Cb -0.09 -1.82 -0.03 0.00 -1.18 0.00 0.00 32.58 29.47 1a9x s HIS 7693CO 0.30 -0.82 -0.10 0.08 -0.65 0.00 0.00 174.74 173.55 1a9x s VAL 7694N 1.31 3.41 -0.26 0.89 1.01 0.90 0.26 120.40 127.93 1a9x s VAL 7694Ca -0.03 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.16 1a9x s VAL 7694Cb -0.19 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 1a9x s VAL 7694CO -0.08 0.50 0.09 -0.69 0.00 0.00 0.00 175.10 174.93 1a9x s VAL 7695N -0.86 4.48 -0.16 2.92 1.01 -0.75 -0.54 120.40 126.49 1a9x s VAL 7695Ca 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1a9x s VAL 7695Cb -0.11 -3.11 -0.00 0.00 0.00 0.00 0.00 36.38 33.16 1a9x s VAL 7695CO 0.04 0.31 -0.15 0.00 0.00 0.00 0.00 175.10 175.30 1a9x s ALA 7696N 1.64 2.49 -0.09 5.51 0.00 0.22 0.23 121.76 131.76 1a9x s ALA 7696Ca 0.06 -1.06 -0.26 0.00 0.00 0.00 0.00 51.96 50.71 1a9x s ALA 7696Cb -0.15 -1.24 -0.03 0.00 0.00 0.00 0.00 23.12 21.71 1a9x s ALA 7696CO 0.05 -0.06 0.83 0.71 0.00 0.00 0.00 175.76 177.29 1a9x s TYR 7697N 0.86 3.53 -0.73 0.00 1.51 0.13 -0.17 117.35 122.49 1a9x s TYR 7697Ca -0.04 1.37 -0.19 0.00 -1.01 0.00 0.00 57.07 57.20 1a9x s TYR 7697Cb -0.15 -2.98 0.12 0.00 -0.11 0.00 0.00 41.96 38.84 1a9x s TYR 7697CO -0.01 -0.08 0.88 0.34 -1.11 0.00 0.00 175.55 175.57 1a9x s ASP 7698N 1.00 6.37 -0.02 2.29 2.15 -0.58 -2.51 116.67 125.37 1a9x s ASP 7698Ca 0.42 -1.67 0.20 0.00 0.43 0.00 0.00 52.55 51.92 1a9x s ASP 7698Cb -0.18 -2.34 0.60 0.00 -0.30 0.00 0.00 42.92 40.70 1a9x s ASP 7698CO 0.18 -1.10 1.50 0.49 -0.17 0.00 0.00 175.17 176.07 1a9x n PHE 7699N 6.38 0.97 0.00 -5.34 3.72 -1.26 -3.72 117.46 118.21 1a9x n PHE 7699Ca 0.04 -0.46 0.00 0.00 -0.05 0.00 0.00 57.45 56.98 1a9x n PHE 7699Cb 0.45 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 1a9x n PHE 7699CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1a9x n GLY 7700N 1.46 0.96 3.74 1.37 0.00 -1.17 -4.09 105.19 107.45 1a9x n GLY 7700Ca 0.22 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1a9x n GLY 7700CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9x s ALA 7701N -0.00 3.49 0.13 4.61 0.00 -1.22 -4.15 121.76 124.62 1a9x s ALA 7701Ca 0.00 1.07 -0.30 0.00 0.00 0.00 0.00 51.96 52.73 1a9x s ALA 7701Cb 0.00 -3.45 -0.06 0.00 0.00 0.00 0.00 23.12 19.60 1a9x s ALA 7701CO 0.00 -0.48 1.02 0.15 0.00 0.00 0.00 175.76 176.46 1a9x s LYS 7702N -0.49 4.64 0.29 0.00 1.02 -1.26 -4.87 119.74 119.08 1a9x s LYS 7702Ca 0.54 1.56 0.03 0.00 0.02 0.00 0.00 55.97 58.12 1a9x s LYS 7702Cb -0.36 -3.34 0.73 0.00 -0.52 0.00 0.00 37.83 34.34 1a9x s LYS 7702CO 0.40 0.13 1.64 0.00 -0.92 0.00 0.00 175.35 176.60 1a9x h ARG 7703N 5.51 0.19 -0.43 1.68 3.08 -1.15 0.06 114.38 123.33 1a9x h ARG 7703Ca -0.43 -0.01 0.09 0.00 0.07 0.00 0.00 59.98 59.70 1a9x h ARG 7703Cb 1.21 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.20 1a9x h ARG 7703CO 0.73 0.13 0.30 -0.97 -1.07 0.00 0.00 179.97 179.08 1a9x h ASN 7704N 0.20 0.14 -0.25 7.04 -1.24 -1.93 -1.46 115.58 118.07 1a9x h ASN 7704Ca 0.56 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.55 1a9x h ASN 7704Cb 1.15 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 40.16 1a9x h ASN 7704CO -0.67 0.09 0.07 0.40 -1.29 0.00 0.00 177.43 176.03 1a9x h ILE 7705N 0.16 1.20 -0.59 2.57 2.04 -1.32 -1.30 117.51 120.27 1a9x h ILE 7705Ca 0.20 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.40 1a9x h ILE 7705Cb 0.59 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 1a9x h ILE 7705CO -0.03 0.21 0.37 -0.07 0.00 0.00 0.00 178.15 178.64 1a9x h LEU 7706N 0.24 0.69 -0.55 1.44 3.38 -1.34 -2.37 115.31 116.79 1a9x h LEU 7706Ca 0.08 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1a9x h LEU 7706Cb 0.26 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1a9x h LEU 7706CO -0.00 0.52 0.34 0.03 0.09 0.00 0.00 178.44 179.41 1a9x h ARG 7707N 0.79 0.65 0.00 1.13 3.08 -1.14 -0.21 114.38 118.69 1a9x h ARG 7707Ca 0.21 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.19 1a9x h ARG 7707Cb -0.06 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 1a9x h ARG 7707CO -0.04 0.43 -0.19 0.52 -1.07 0.00 0.00 179.97 179.62 1a9x h MET 7708N 0.67 0.00 -0.01 0.04 2.86 -0.95 -1.02 114.93 116.52 1a9x h MET 7708Ca 0.22 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.85 1a9x h MET 7708Cb 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1a9x h MET 7708CO -0.09 0.19 -0.03 -0.07 1.06 0.00 0.00 176.91 177.96 1a9x h LEU 7709N 0.00 0.05 -0.92 1.22 3.38 -0.82 -2.89 115.31 115.33 1a9x h LEU 7709Ca -0.00 -0.59 0.07 0.00 0.09 0.00 0.00 57.88 57.45 1a9x h LEU 7709Cb 0.56 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.23 1a9x h LEU 7709CO 0.02 0.63 0.57 0.58 0.09 0.00 0.00 178.44 180.34 1a9x h VAL 7710N -0.53 1.03 -0.03 1.22 2.07 -0.86 0.15 116.25 119.29 1a9x h VAL 7710Ca -0.00 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.18 1a9x h VAL 7710Cb 0.63 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1a9x h VAL 7710CO 0.01 0.19 0.03 0.44 0.02 0.00 0.00 177.57 178.25 1a9x h ASP 7711N 1.02 0.00 -0.04 0.57 3.32 -1.14 -1.39 116.42 118.76 1a9x h ASP 7711Ca 0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.46 1a9x h ASP 7711Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1a9x h ASP 7711CO -0.19 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 177.87 1a9x n ARG 7712N -4.07 1.44 0.00 3.56 1.74 0.44 -4.90 116.66 114.87 1a9x n ARG 7712Ca -0.02 -0.65 0.00 0.00 -0.77 0.00 0.00 57.85 56.41 1a9x n ARG 7712Cb 0.12 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 1a9x n ARG 7712CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a9x n GLY 7713N 1.08 1.16 3.52 -0.13 0.00 -0.52 -4.98 105.19 105.33 1a9x n GLY 7713Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1a9x n GLY 7713CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9x s ARG 7715N 0.15 3.73 0.10 0.00 1.70 0.37 -3.69 118.95 121.32 1a9x s ARG 7715Ca -0.01 -0.18 0.08 0.00 -0.47 0.00 0.00 55.73 55.15 1a9x s ARG 7715Cb -0.14 -3.27 -0.03 0.00 -0.57 0.00 0.00 34.95 30.94 1a9x s ARG 7715CO 0.03 0.57 -0.21 -0.51 -1.08 0.00 0.00 175.30 174.10 1a9x s LEU 7716N -0.44 2.29 -0.29 -1.89 1.43 -1.02 -0.07 118.68 118.69 1a9x s LEU 7716Ca 0.12 -0.68 -0.07 0.00 -1.03 0.00 0.00 54.13 52.47 1a9x s LEU 7716Cb -0.12 -0.91 0.00 0.00 0.03 0.00 0.00 46.19 45.20 1a9x s LEU 7716CO 0.02 0.07 0.08 -0.89 0.23 0.00 0.00 176.35 175.86 1a9x s THR 7717N -1.12 4.01 -0.20 5.49 2.01 0.29 -1.23 115.64 124.89 1a9x s THR 7717Ca 0.07 -0.63 -0.19 0.00 0.31 0.00 0.00 61.69 61.25 1a9x s THR 7717Cb -0.10 -3.05 -0.03 0.00 0.01 0.00 0.00 72.50 69.34 1a9x s THR 7717CO 0.04 0.11 0.55 -0.63 -0.69 0.00 0.00 174.62 174.00 1a9x s ILE 7718N 1.52 5.08 0.21 1.82 1.09 0.27 0.72 121.20 131.90 1a9x s ILE 7718Ca 0.03 1.01 0.10 0.00 -1.10 0.00 0.00 60.65 60.69 1a9x s ILE 7718Cb -0.17 -3.87 -0.05 0.00 -1.06 0.00 0.00 42.46 37.32 1a9x s ILE 7718CO 0.03 0.15 -0.19 0.68 -0.10 0.00 0.00 174.94 175.50 1a9x s VAL 7719N 1.75 2.12 0.77 2.92 -7.23 0.76 -0.41 120.40 121.08 1a9x s VAL 7719Ca 0.25 -2.14 -0.15 0.00 -1.81 0.00 0.00 61.98 58.13 1a9x s VAL 7719Cb -0.16 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 34.71 1a9x s VAL 7719CO 0.10 -0.34 0.75 -2.65 -0.31 0.00 0.00 175.10 172.65 1a9x n PRO 7720N -0.10 0.26 -0.26 4.82 -0.01 -1.26 -1.52 135.00 136.94 1a9x n PRO 7720Ca -0.10 0.14 0.02 0.00 -0.01 0.00 0.00 63.50 63.56 1a9x n PRO 7720Cb 0.58 -2.05 0.15 0.00 -0.01 0.00 0.00 33.50 32.18 1a9x n PRO 7720CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1a9x h ALA 7721N -0.59 1.04 -0.34 3.55 0.00 -1.84 -2.59 119.26 118.50 1a9x h ALA 7721Ca -0.46 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.39 1a9x h ALA 7721Cb 1.33 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 19.01 1a9x h ALA 7721CO 0.43 -0.05 0.15 1.04 0.00 0.00 0.00 179.25 180.82 1a9x n GLN 7722N -4.86 2.07 -2.13 0.00 6.02 -1.26 -4.63 117.38 112.59 1a9x n GLN 7722Ca 0.12 -1.32 -0.40 0.00 -0.01 0.00 0.00 57.00 55.39 1a9x n GLN 7722Cb 0.30 -1.66 -0.02 0.00 1.02 0.00 0.00 30.24 29.89 1a9x n GLN 7722CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1a9x s THR 7723N -1.57 2.76 0.49 5.09 2.01 -0.98 -4.98 115.64 118.47 1a9x s THR 7723Ca 0.24 0.75 -0.19 0.00 0.31 0.00 0.00 61.69 62.80 1a9x s THR 7723Cb 0.19 -3.47 -0.09 0.00 0.01 0.00 0.00 72.50 69.15 1a9x s THR 7723CO 0.06 0.16 0.99 -0.94 -0.69 0.00 0.00 174.62 174.20 1a9x s SER 7724N -0.59 6.58 0.28 3.53 1.04 -1.26 -4.90 113.70 118.38 1a9x s SER 7724Ca 0.51 1.71 0.01 0.00 0.48 0.00 0.00 55.95 58.65 1a9x s SER 7724Cb -0.38 -2.53 0.59 0.00 0.10 0.00 0.00 66.02 63.80 1a9x s SER 7724CO 0.51 -0.61 1.77 0.00 0.98 0.00 0.00 173.24 175.89 1a9x h ALA 7725N 1.33 1.41 -0.03 5.32 0.00 -1.92 -2.71 119.26 122.66 1a9x h ALA 7725Ca -0.48 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.52 1a9x h ALA 7725Cb 1.19 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1a9x h ALA 7725CO 0.60 -0.05 -0.34 0.93 0.00 0.00 0.00 179.25 180.39 1a9x h GLU 7726N 0.69 -0.39 -0.18 0.00 3.07 -1.95 0.37 114.58 116.19 1a9x h GLU 7726Ca 0.50 0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 59.34 1a9x h GLU 7726Cb 0.71 0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.70 1a9x h GLU 7726CO -0.36 -0.26 -0.08 -0.44 -1.40 0.00 0.00 179.01 176.47 1a9x h ASP 7727N -0.40 0.26 0.43 1.42 3.32 -1.90 -2.17 116.42 117.38 1a9x h ASP 7727Ca 0.01 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 1a9x h ASP 7727Cb 0.44 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1a9x h ASP 7727CO -0.24 0.38 -0.21 0.58 -1.72 0.00 0.00 179.24 178.04 1a9x h VAL 7728N 0.27 0.58 -0.18 -1.35 2.07 -1.14 -2.49 116.25 114.02 1a9x h VAL 7728Ca 0.06 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.56 1a9x h VAL 7728Cb 0.32 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1a9x h VAL 7728CO 0.02 0.01 0.24 -0.07 0.02 0.00 0.00 177.57 177.79 1a9x h LEU 7729N -0.62 0.00 -0.80 2.57 3.38 0.02 0.43 115.31 120.29 1a9x h LEU 7729Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1a9x h LEU 7729Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1a9x h LEU 7729CO 0.10 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.74 1a9x h LYS 7730N 0.00 0.00 -0.00 1.13 1.57 -0.92 -2.84 116.57 115.51 1a9x h LYS 7730Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1a9x h LYS 7730Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1a9x h LYS 7730CO -0.00 0.00 -0.24 -1.33 -0.57 0.00 0.00 179.45 177.31 1a9x n MET 7731N -2.63 0.09 -3.62 3.15 2.81 0.15 -4.94 117.12 112.13 1a9x n MET 7731Ca 0.02 -0.03 -0.23 0.00 -1.81 0.00 0.00 57.70 55.65 1a9x n MET 7731Cb 0.31 -1.50 0.07 0.00 -0.71 0.00 0.00 33.22 31.39 1a9x n MET 7731CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1a9x n ASN 7732N -1.43 -4.18 -4.45 7.83 5.03 -1.07 -4.94 115.26 112.06 1a9x n ASN 7732Ca 0.07 -0.64 -0.40 0.00 0.87 0.00 0.00 54.58 54.48 1a9x n ASN 7732Cb 0.33 -4.73 0.02 0.00 -1.02 0.00 0.00 39.78 34.38 1a9x n ASN 7732CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 1a9x n PRO 7733N -4.61 0.55 0.20 3.52 -0.04 -1.26 -4.90 135.00 128.47 1a9x n PRO 7733Ca -0.11 0.21 0.12 0.00 -0.04 0.00 0.00 63.50 63.68 1a9x n PRO 7733Cb 0.60 -1.56 0.23 0.00 -0.04 0.00 0.00 33.50 32.74 1a9x n PRO 7733CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1a9x h ASP 7734N 0.62 0.00 -4.72 3.54 3.32 -0.55 -3.47 116.42 115.17 1a9x h ASP 7734Ca -0.42 0.00 0.32 0.00 0.02 0.00 0.00 57.03 56.95 1a9x h ASP 7734Cb 1.40 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.77 1a9x h ASP 7734CO 0.50 0.00 0.91 -0.83 -1.72 0.00 0.00 179.24 178.10 1a9x s GLY 7735N -4.07 -0.32 -0.11 2.75 0.00 -1.21 -4.53 107.32 99.83 1a9x s GLY 7735Ca 0.08 1.46 0.03 0.00 0.00 0.00 0.00 44.72 46.29 1a9x s GLY 7735CO 0.65 0.44 -0.23 -0.42 0.00 0.00 0.00 173.10 173.55 1a9x s ILE 7736N -2.21 2.16 -0.08 0.90 1.01 -0.59 -1.81 121.20 120.58 1a9x s ILE 7736Ca 0.12 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 59.80 1a9x s ILE 7736Cb 0.02 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 1a9x s ILE 7736CO -0.04 0.55 -0.10 0.12 0.00 0.00 0.00 174.94 175.48 1a9x s PHE 7737N 0.42 2.86 -0.30 3.97 5.36 0.62 -2.17 117.98 128.74 1a9x s PHE 7737Ca -0.16 -0.17 -0.01 0.00 -0.96 0.00 0.00 56.93 55.63 1a9x s PHE 7737Cb -0.17 -1.74 0.06 0.00 -0.34 0.00 0.00 43.02 40.82 1a9x s PHE 7737CO 0.07 0.16 0.00 -0.51 -1.46 0.00 0.00 175.22 173.48 1a9x s LEU 7738N -0.47 3.96 1.20 6.12 1.43 0.07 0.22 118.68 131.22 1a9x s LEU 7738Ca 0.06 -1.37 -0.17 0.00 -1.03 0.00 0.00 54.13 51.62 1a9x s LEU 7738Cb -0.12 -1.70 0.28 0.00 0.03 0.00 0.00 46.19 44.68 1a9x s LEU 7738CO 0.02 -0.28 1.05 -0.94 0.23 0.00 0.00 176.35 176.44 1a9x s SER 7739N 1.26 0.86 0.75 2.29 1.04 -1.05 -1.58 113.70 117.28 1a9x s SER 7739Ca -0.04 0.94 -0.08 0.00 0.48 0.00 0.00 55.95 57.24 1a9x s SER 7739Cb -0.20 -1.40 0.08 0.00 0.10 0.00 0.00 66.02 64.60 1a9x s SER 7739CO -0.02 -4.19 1.07 0.54 0.98 0.00 0.00 173.24 171.62 1a9x s ASN 7740N -3.41 4.60 0.00 7.02 4.22 -1.19 -1.56 114.94 124.61 1a9x s ASN 7740Ca 0.69 0.48 0.00 0.00 -2.14 0.00 0.00 52.86 51.89 1a9x s ASN 7740Cb -0.15 -1.04 0.00 0.00 1.28 0.00 0.00 41.25 41.34 1a9x s ASN 7740CO 0.58 -1.76 0.00 0.61 -2.04 0.00 0.00 177.10 174.49 1a9x n GLY 7741N -3.07 1.20 3.34 0.45 0.00 -1.26 -3.07 105.19 102.79 1a9x n GLY 7741Ca 0.09 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 45.17 1a9x n GLY 7741CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a9x n PRO 7742N -0.21 -3.51 0.00 1.61 -0.04 -1.26 -4.65 135.00 126.94 1a9x n PRO 7742Ca 0.00 -1.02 0.00 0.00 -0.04 0.00 0.00 63.50 62.44 1a9x n PRO 7742Cb 0.00 -2.03 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 1a9x n PRO 7742CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1a9x n GLY 7743N 1.47 0.58 3.71 0.55 0.00 -1.26 -4.02 105.19 106.22 1a9x n GLY 7743Ca 0.07 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 1a9x n GLY 7743CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a9x s ASP 7744N -4.00 7.09 0.10 1.61 -1.08 0.61 -4.84 116.67 116.16 1a9x s ASP 7744Ca 0.00 2.01 0.07 0.00 -0.52 0.00 0.00 52.55 54.11 1a9x s ASP 7744Cb 0.00 -2.58 -0.22 0.00 -1.46 0.00 0.00 42.92 38.66 1a9x s ASP 7744CO 0.00 -0.46 1.20 1.55 0.52 0.00 0.00 175.17 177.98 1a9x h PRO 7745N 6.73 0.02 -0.88 4.34 0.13 -1.86 -3.36 132.00 137.12 1a9x h PRO 7745Ca -0.42 -0.04 0.22 0.00 -0.87 0.00 0.00 66.00 64.89 1a9x h PRO 7745Cb 1.21 0.01 -0.16 0.00 0.13 0.00 0.00 31.00 32.20 1a9x h PRO 7745CO 0.81 0.97 0.00 0.00 -0.23 0.00 0.00 178.00 179.54 1a9x h ALA 7746N 0.96 0.96 0.00 -0.56 0.00 -1.95 -1.58 119.26 117.08 1a9x h ALA 7746Ca -0.05 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1a9x h ALA 7746Cb 1.81 0.52 0.00 0.00 0.00 0.00 0.00 17.79 20.12 1a9x h ALA 7746CO 0.13 -0.48 0.00 -2.30 0.00 0.00 0.00 179.25 176.60 1a9x n PRO 7747N -5.43 0.00 -2.25 0.00 -0.01 -1.26 -4.55 135.00 121.51 1a9x n PRO 7747Ca 0.18 0.19 -0.43 0.00 -0.01 0.00 0.00 63.50 63.44 1a9x n PRO 7747Cb 0.60 -1.50 0.00 0.00 -0.01 0.00 0.00 33.50 32.59 1a9x n PRO 7747CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1a9x h ASP 7749N 6.85 -0.08 -0.59 0.00 3.04 -1.85 -2.81 116.42 120.97 1a9x h ASP 7749Ca 0.49 0.06 0.12 0.00 -3.24 0.00 0.00 57.03 54.46 1a9x h ASP 7749Cb 0.77 0.10 -0.10 0.00 -1.04 0.00 0.00 39.33 39.07 1a9x h ASP 7749CO 1.63 -0.00 0.03 0.10 -2.04 0.00 0.00 179.24 178.95 1a9x h TYR 7750N 0.12 0.01 -0.11 4.15 -0.00 -1.96 0.10 116.97 119.28 1a9x h TYR 7750Ca 0.15 0.04 -0.21 0.00 0.00 0.00 0.00 58.73 58.71 1a9x h TYR 7750Cb 0.19 0.09 0.00 0.00 0.00 0.00 0.00 36.73 37.01 1a9x h TYR 7750CO -0.21 -0.13 -0.78 0.00 -0.00 0.00 0.00 178.16 177.04 1a9x h ALA 7751N 1.52 0.41 -0.56 0.10 0.00 -1.81 -0.97 119.26 117.96 1a9x h ALA 7751Ca 0.31 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1a9x h ALA 7751Cb 0.49 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1a9x h ALA 7751CO -0.48 0.72 0.37 0.82 0.00 0.00 0.00 179.25 180.68 1a9x h ILE 7752N 0.42 1.15 0.78 0.00 2.04 -1.19 0.50 117.51 121.21 1a9x h ILE 7752Ca -0.05 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.50 1a9x h ILE 7752Cb 1.39 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1a9x h ILE 7752CO 0.15 0.14 -0.47 0.74 0.00 0.00 0.00 178.15 178.71 1a9x h THR 7753N 0.76 0.05 -0.59 -0.27 2.02 -0.86 -1.31 112.91 112.72 1a9x h THR 7753Ca 0.21 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.49 1a9x h THR 7753Cb -0.08 0.05 -0.08 0.00 -1.74 0.00 0.00 68.15 66.30 1a9x h THR 7753CO -0.04 0.00 0.14 0.00 0.37 0.00 0.00 175.52 175.99 1a9x h ALA 7754N -1.06 0.70 -0.66 6.16 0.00 -0.92 0.00 119.26 123.48 1a9x h ALA 7754Ca -0.10 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1a9x h ALA 7754Cb 0.94 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1a9x h ALA 7754CO 0.11 -0.29 0.41 0.82 0.00 0.00 0.00 179.25 180.30 1a9x h ILE 7755N 0.28 1.18 -0.96 0.00 2.04 0.18 -0.72 117.51 119.50 1a9x h ILE 7755Ca 0.31 -0.37 0.09 0.00 1.00 0.00 0.00 64.86 65.89 1a9x h ILE 7755Cb 0.44 0.24 -0.07 0.00 -0.74 0.00 0.00 36.82 36.69 1a9x h ILE 7755CO -0.38 0.18 0.62 1.56 0.00 0.00 0.00 178.15 180.13 1a9x h GLN 7756N 0.90 1.00 -0.01 2.37 4.20 0.20 0.44 115.11 124.20 1a9x h GLN 7756Ca 0.24 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.88 1a9x h GLN 7756Cb -0.06 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.49 1a9x h GLN 7756CO -0.05 0.66 -0.01 0.87 -0.67 0.00 0.00 178.83 179.64 1a9x h LYS 7757N 1.03 0.03 -0.85 1.46 6.56 -0.82 -2.86 116.57 121.11 1a9x h LYS 7757Ca 0.44 -0.01 0.07 0.00 -1.06 0.00 0.00 60.65 60.09 1a9x h LYS 7757Cb 0.34 -0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 31.94 1a9x h LYS 7757CO -0.20 0.44 0.55 0.74 -2.06 0.00 0.00 179.45 178.93 1a9x h PHE 7758N -0.39 0.94 0.00 -1.35 0.04 -0.33 0.89 116.94 116.75 1a9x h PHE 7758Ca 0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1a9x h PHE 7758Cb 0.43 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.27 1a9x h PHE 7758CO 0.07 0.49 0.00 1.28 -0.60 0.00 0.00 178.31 179.55 1a9x n LEU 7759N -4.49 0.00 0.08 1.54 4.77 0.15 -1.84 117.00 117.20 1a9x n LEU 7759Ca 0.13 0.11 0.08 0.00 -0.03 0.00 0.00 56.01 56.30 1a9x n LEU 7759Cb 0.23 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 1a9x n LEU 7759CO 0.33 -0.05 -0.11 -0.62 -1.33 0.00 0.00 177.39 175.60 1a9x n GLU 7760N -1.11 0.61 -1.37 3.23 1.02 0.31 -4.93 120.64 118.41 1a9x n GLU 7760Ca 0.10 0.14 -0.08 0.00 -0.02 0.00 0.00 57.16 57.30 1a9x n GLU 7760Cb 0.08 -1.81 0.04 0.00 -0.02 0.00 0.00 31.44 29.73 1a9x n GLU 7760CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1a9x n THR 7761N -2.72 0.00 -0.48 2.62 -2.24 -0.77 -5.03 114.28 105.66 1a9x n THR 7761Ca -0.03 -0.57 0.09 0.00 -2.27 0.00 0.00 64.05 61.27 1a9x n THR 7761Cb 0.64 -1.15 0.29 0.00 -2.10 0.00 0.00 70.33 68.01 1a9x n THR 7761CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1a9x n ASP 7762N -2.94 4.01 -4.71 3.42 8.00 -1.26 -4.92 116.55 118.16 1a9x n ASP 7762Ca 0.06 -2.26 -0.42 0.00 0.71 0.00 0.00 54.79 52.87 1a9x n ASP 7762Cb 0.21 -0.47 -0.03 0.00 -0.02 0.00 0.00 41.12 40.81 1a9x n ASP 7762CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1a9x s ILE 7763N -1.49 3.66 0.34 0.53 1.01 -1.26 -4.83 121.20 119.16 1a9x s ILE 7763Ca 0.43 1.19 -0.29 0.00 0.00 0.00 0.00 60.65 61.98 1a9x s ILE 7763Cb 0.26 -3.76 -0.11 0.00 0.01 0.00 0.00 42.46 38.86 1a9x s ILE 7763CO 0.24 0.09 1.41 -2.84 0.00 0.00 0.00 174.94 173.83 1a9x s PRO 7764N 1.14 4.24 -0.04 2.79 0.02 -1.26 -4.72 135.00 137.16 1a9x s PRO 7764Ca 0.62 2.38 0.05 0.00 0.02 0.00 0.00 61.00 64.06 1a9x s PRO 7764Cb -0.33 -3.03 -0.01 0.00 0.02 0.00 0.00 34.50 31.15 1a9x s PRO 7764CO 0.30 -0.37 -0.19 0.08 -0.33 0.00 0.00 177.00 176.49 1a9x s VAL 7765N -0.93 1.56 -0.05 3.83 1.01 0.18 -1.54 120.40 124.46 1a9x s VAL 7765Ca 0.52 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 1a9x s VAL 7765Cb -0.43 -1.33 0.04 0.00 0.00 0.00 0.00 36.38 34.66 1a9x s VAL 7765CO 0.55 0.44 0.10 0.12 0.00 0.00 0.00 175.10 176.32 1a9x s PHE 7766N -0.02 -0.08 0.07 5.22 5.36 -0.92 -1.60 117.98 126.01 1a9x s PHE 7766Ca -0.03 0.39 0.06 0.00 -0.96 0.00 0.00 56.93 56.38 1a9x s PHE 7766Cb -0.12 -0.24 -0.03 0.00 -0.34 0.00 0.00 43.02 42.29 1a9x s PHE 7766CO 0.02 -0.18 -0.17 0.20 -1.46 0.00 0.00 175.22 173.64 1a9x s GLY 7767N 1.61 0.97 -0.03 13.12 0.00 -0.92 -0.75 107.32 121.32 1a9x s GLY 7767Ca -0.04 -1.03 0.04 0.00 0.00 0.00 0.00 44.72 43.69 1a9x s GLY 7767CO -0.05 -1.03 0.93 1.39 0.00 0.00 0.00 173.10 174.34 1a9x n ILE 7768N 1.42 0.89 0.00 0.90 5.41 -0.61 -1.12 119.36 126.25 1a9x n ILE 7768Ca -0.20 -0.97 0.00 0.00 1.00 0.00 0.00 62.75 62.59 1a9x n ILE 7768Cb 0.54 0.45 0.00 0.00 -0.71 0.00 0.00 39.64 39.92 1a9x n ILE 7768CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1a9x n LEU 7770N -0.55 0.00 0.17 1.39 7.94 -1.26 -3.18 117.00 121.52 1a9x n LEU 7770Ca 0.03 0.00 0.14 0.00 -1.11 0.00 0.00 56.01 55.08 1a9x n LEU 7770Cb 0.42 0.00 0.72 0.00 0.53 0.00 0.00 43.42 45.09 1a9x n LEU 7770CO 0.00 0.00 1.13 1.23 -1.11 0.00 0.00 177.39 178.64 1a9x h GLY 7771N 0.00 0.00 1.74 -3.96 0.00 -1.44 0.11 103.07 99.52 1a9x h GLY 7771Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 1a9x h GLY 7771CO 0.00 0.00 -0.83 0.84 0.00 0.00 0.00 176.54 176.55 1a9x h HIS 7772N 0.00 0.34 -0.47 5.60 -0.00 -1.72 -2.22 115.15 116.69 1a9x h HIS 7772Ca 0.10 -0.18 -0.13 0.00 -0.00 0.00 0.00 60.37 60.16 1a9x h HIS 7772Cb 0.42 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.77 1a9x h HIS 7772CO 0.00 0.96 -0.22 1.96 -0.00 0.00 0.00 177.93 180.63 1a9x h GLN 7773N 0.14 0.98 -0.27 5.26 4.20 -1.50 -2.13 115.11 121.79 1a9x h GLN 7773Ca -0.04 -0.42 -0.05 0.00 0.06 0.00 0.00 58.65 58.21 1a9x h GLN 7773Cb 1.43 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.17 1a9x h GLN 7773CO 0.13 1.09 -0.01 -0.07 -0.67 0.00 0.00 178.83 179.30 1a9x h LEU 7774N 0.84 0.48 -1.76 1.46 3.38 -0.97 -0.80 115.31 117.94 1a9x h LEU 7774Ca 0.11 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1a9x h LEU 7774Cb 0.80 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1a9x h LEU 7774CO 0.07 0.68 0.05 0.25 0.09 0.00 0.00 178.44 179.58 1a9x h LEU 7775N 0.26 0.18 -0.06 1.67 5.85 -1.34 0.22 115.31 122.10 1a9x h LEU 7775Ca 0.08 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1a9x h LEU 7775Cb 0.44 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 1a9x h LEU 7775CO 0.02 0.18 -0.04 0.00 -0.34 0.00 0.00 178.44 178.26 1a9x h ALA 7776N 1.85 0.08 -0.20 1.25 0.00 -0.99 -2.00 119.26 119.25 1a9x h ALA 7776Ca 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1a9x h ALA 7776Cb 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1a9x h ALA 7776CO -0.01 -0.16 0.10 -0.07 0.00 0.00 0.00 179.25 179.12 1a9x h LEU 7777N -0.28 0.26 -2.13 0.00 3.38 -0.25 0.48 115.31 116.77 1a9x h LEU 7777Ca 0.01 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 57.93 1a9x h LEU 7777Cb 0.50 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1a9x h LEU 7777CO 0.01 0.29 0.16 0.00 0.09 0.00 0.00 178.44 178.99 1a9x h ALA 7778N 0.98 2.01 -0.00 1.53 0.00 -0.64 -0.00 119.26 123.14 1a9x h ALA 7778Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1a9x h ALA 7778Cb 0.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1a9x h ALA 7778CO -0.01 -0.26 -0.31 0.45 0.00 0.00 0.00 179.25 179.12 1a9x n SER 7779N -4.18 0.58 0.00 0.00 2.88 -0.67 -4.82 113.62 107.41 1a9x n SER 7779Ca 0.02 -0.39 0.00 0.00 -1.33 0.00 0.00 58.87 57.16 1a9x n SER 7779Cb 0.29 0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 1a9x n SER 7779CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a9x n GLY 7780N 1.42 0.91 3.97 0.46 0.00 -0.01 -4.66 105.19 107.28 1a9x n GLY 7780Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 1a9x n GLY 7780CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9x s ALA 7781N -2.00 3.46 0.20 4.61 0.00 0.07 -4.65 121.76 123.45 1a9x s ALA 7781Ca 0.00 -1.49 0.11 0.00 0.00 0.00 0.00 51.96 50.58 1a9x s ALA 7781Cb 0.00 -2.20 -0.04 0.00 0.00 0.00 0.00 23.12 20.87 1a9x s ALA 7781CO 0.00 -1.47 -0.23 0.15 0.00 0.00 0.00 175.76 174.22 1a9x s LYS 7782N -5.20 1.57 0.17 0.00 1.02 -1.25 -4.11 119.74 111.94 1a9x s LYS 7782Ca 0.65 -1.51 0.10 0.00 0.02 0.00 0.00 55.97 55.22 1a9x s LYS 7782Cb -0.07 -1.87 -0.04 0.00 -0.52 0.00 0.00 37.83 35.33 1a9x s LYS 7782CO 0.45 0.40 -0.16 0.95 -0.92 0.00 0.00 175.35 176.06 1a9x s THR 7783N -1.71 2.83 0.04 2.17 -4.23 -1.26 -0.30 115.64 113.18 1a9x s THR 7783Ca 0.22 -1.73 0.00 0.00 -1.18 0.00 0.00 61.69 59.00 1a9x s THR 7783Cb -0.08 -2.36 -0.03 0.00 1.34 0.00 0.00 72.50 71.37 1a9x s THR 7783CO 0.11 -0.05 -0.04 0.68 -0.54 0.00 0.00 174.62 174.77 1a9x s VAL 7784N -1.54 0.27 0.05 2.29 -7.23 0.13 -4.86 120.40 109.52 1a9x s VAL 7784Ca 0.22 -1.34 -0.22 0.00 -1.81 0.00 0.00 61.98 58.82 1a9x s VAL 7784Cb -0.09 -0.88 -0.06 0.00 0.56 0.00 0.00 36.38 35.91 1a9x s VAL 7784CO 0.12 -0.69 0.65 -0.75 -0.31 0.00 0.00 175.10 174.12 1a9x s LYS 7785N -2.55 4.36 0.45 4.82 2.20 -1.26 0.57 119.74 128.34 1a9x s LYS 7785Ca -0.04 0.87 -0.15 0.00 -0.36 0.00 0.00 55.97 56.28 1a9x s LYS 7785Cb -0.02 -3.30 -0.08 0.00 -1.51 0.00 0.00 37.83 32.91 1a9x s LYS 7785CO -0.04 0.46 0.89 -1.64 -0.36 0.00 0.00 175.35 174.66 1a9x s MET 7786N -0.57 3.92 0.20 4.03 -1.94 0.31 -4.88 119.30 120.37 1a9x s MET 7786Ca 0.33 0.79 -0.12 0.00 -1.71 0.00 0.00 55.69 54.97 1a9x s MET 7786Cb -0.20 -2.25 0.24 0.00 2.01 0.00 0.00 34.83 34.63 1a9x s MET 7786CO 0.20 -0.13 1.68 -0.22 -0.01 0.00 0.00 175.02 176.54 1a9x h LYS 7787N 1.24 0.14 0.00 2.03 3.64 -1.97 -3.38 116.57 118.27 1a9x h LYS 7787Ca -0.47 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1a9x h LYS 7787Cb 1.18 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1a9x h LYS 7787CO 0.63 0.09 -0.00 1.97 -2.27 0.00 0.00 179.45 179.86 1a9x n PHE 7788N -5.23 0.00 -2.06 1.91 1.16 -1.26 -1.20 117.46 110.78 1a9x n PHE 7788Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.65 1a9x n PHE 7788Cb 0.30 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.17 1a9x n PHE 7788CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1a9x n GLY 7789N 0.01 -1.88 2.78 4.97 0.00 -1.26 -4.85 105.19 104.95 1a9x n GLY 7789Ca 0.00 -1.73 -0.28 0.00 0.00 0.00 0.00 46.02 44.01 1a9x n GLY 7789CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1a9x s HIS 7790N 0.00 1.27 -0.16 1.61 0.09 0.10 -4.99 115.29 113.21 1a9x s HIS 7790Ca 0.00 -0.98 -0.04 0.00 -0.00 0.00 0.00 55.06 54.04 1a9x s HIS 7790Cb 0.00 -1.12 0.07 0.00 -0.00 0.00 0.00 32.58 31.53 1a9x s HIS 7790CO 0.00 -0.62 0.15 -1.01 -0.00 0.00 0.00 174.74 173.26 1a9x s HIS 7791N 1.78 -0.06 0.00 1.40 3.76 -1.19 -1.35 115.29 119.62 1a9x s HIS 7791Ca -0.01 0.07 0.00 0.00 -0.15 0.00 0.00 55.06 54.96 1a9x s HIS 7791Cb -0.17 -0.48 0.00 0.00 1.11 0.00 0.00 32.58 33.04 1a9x s HIS 7791CO -0.07 -0.50 0.00 0.41 -0.85 0.00 0.00 174.74 173.73 1a9x n GLY 7792N 5.30 0.62 0.83 -2.22 0.00 -0.65 -1.96 105.19 107.11 1a9x n GLY 7792Ca -0.06 -1.19 0.05 0.00 0.00 0.00 0.00 46.02 44.82 1a9x n GLY 7792CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 7793N -0.96 3.55 0.05 -0.02 0.00 -1.26 -1.04 105.19 105.51 1a9x n GLY 7793Ca 0.00 -1.07 0.04 0.00 0.00 0.00 0.00 46.02 44.99 1a9x n GLY 7793CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1a9x n ASN 7794N -0.57 1.97 -4.63 1.61 6.94 -1.23 -4.35 115.26 115.00 1a9x n ASN 7794Ca 0.14 -2.42 -0.43 0.00 -0.02 0.00 0.00 54.58 51.85 1a9x n ASN 7794Cb 0.83 -0.19 -0.02 0.00 -2.36 0.00 0.00 39.78 38.04 1a9x n ASN 7794CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1a9x s HIS 7795N -1.72 2.52 0.14 -2.53 2.46 -1.11 -4.76 115.29 110.29 1a9x s HIS 7795Ca 0.14 0.78 -0.30 0.00 0.47 0.00 0.00 55.06 56.14 1a9x s HIS 7795Cb 0.12 -3.95 -0.06 0.00 -0.13 0.00 0.00 32.58 28.56 1a9x s HIS 7795CO 0.01 -2.04 0.95 -1.25 -2.47 0.00 0.00 174.74 169.94 1a9x s PRO 7796N 4.34 4.73 -0.05 2.88 0.04 -1.26 -0.41 135.00 145.27 1a9x s PRO 7796Ca 0.60 1.45 0.02 0.00 0.04 0.00 0.00 61.00 63.12 1a9x s PRO 7796Cb -0.19 -3.36 0.01 0.00 0.04 0.00 0.00 34.50 31.01 1a9x s PRO 7796CO 0.25 0.28 -0.10 0.08 0.04 0.00 0.00 177.00 177.55 1a9x s VAL 7797N -0.25 0.97 -0.10 -0.36 1.01 0.95 -0.66 120.40 121.96 1a9x s VAL 7797Ca 0.46 -0.41 -0.15 0.00 0.00 0.00 0.00 61.98 61.88 1a9x s VAL 7797Cb -0.24 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.20 1a9x s VAL 7797CO 0.30 0.31 0.38 -0.75 0.00 0.00 0.00 175.10 175.35 1a9x s LYS 7798N 0.56 4.16 -0.68 2.72 2.20 0.39 -1.33 119.74 127.77 1a9x s LYS 7798Ca -0.11 0.30 -0.22 0.00 -0.36 0.00 0.00 55.97 55.58 1a9x s LYS 7798Cb -0.14 -3.36 0.07 0.00 -1.51 0.00 0.00 37.83 32.89 1a9x s LYS 7798CO 0.02 0.36 0.98 0.34 -0.36 0.00 0.00 175.35 176.69 1a9x s ASP 7799N 0.03 6.21 0.29 1.43 -1.08 -0.49 -1.73 116.67 121.32 1a9x s ASP 7799Ca 0.22 -1.07 -0.00 0.00 -0.52 0.00 0.00 52.55 51.17 1a9x s ASP 7799Cb -0.15 -2.42 0.48 0.00 -1.46 0.00 0.00 42.92 39.38 1a9x s ASP 7799CO 0.09 -1.42 1.89 -0.37 0.52 0.00 0.00 175.17 175.88 1a9x h VAL 7800N 5.97 1.06 0.49 1.11 -1.51 -1.47 0.90 116.25 122.82 1a9x h VAL 7800Ca -0.25 -0.37 -0.02 0.00 -1.23 0.00 0.00 66.70 64.82 1a9x h VAL 7800Cb 1.07 -0.12 0.00 0.00 -2.13 0.00 0.00 31.29 30.11 1a9x h VAL 7800CO 1.18 0.20 -0.24 -0.33 -1.23 0.00 0.00 177.57 177.15 1a9x h GLU 7801N 1.09 -0.64 0.00 5.19 5.08 -1.90 -3.15 114.58 120.25 1a9x h GLU 7801Ca 0.42 0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.68 1a9x h GLU 7801Cb 0.21 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1a9x h GLU 7801CO -0.17 -0.39 -0.69 0.87 -1.00 0.00 0.00 179.01 177.64 1a9x h LYS 7802N -0.74 0.00 -3.57 2.33 1.57 -1.87 -3.47 116.57 110.82 1a9x h LYS 7802Ca -0.07 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.52 1a9x h LYS 7802Cb 0.54 0.00 0.08 0.00 0.08 0.00 0.00 32.23 32.93 1a9x h LYS 7802CO 0.11 0.69 -0.36 -1.71 -0.57 0.00 0.00 179.45 177.61 1a9x n ASN 7803N -3.43 -3.77 -4.21 0.86 5.15 0.31 -5.03 115.26 105.15 1a9x n ASN 7803Ca 0.00 -0.29 -0.21 0.00 -0.60 0.00 0.00 54.58 53.49 1a9x n ASN 7803Cb 0.75 -2.84 -0.13 0.00 -0.53 0.00 0.00 39.78 37.04 1a9x n ASN 7803CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1a9x s VAL 7804N -3.17 1.35 0.01 3.44 -7.23 -1.17 -4.98 120.40 108.66 1a9x s VAL 7804Ca 0.24 -1.32 -0.02 0.00 -1.81 0.00 0.00 61.98 59.07 1a9x s VAL 7804Cb -0.10 -1.25 -0.04 0.00 0.56 0.00 0.00 36.38 35.55 1a9x s VAL 7804CO 0.37 -0.09 0.19 -0.69 -0.31 0.00 0.00 175.10 174.57 1a9x s VAL 7805N -1.12 5.42 0.03 1.32 1.01 -1.26 -1.39 120.40 124.40 1a9x s VAL 7805Ca 0.02 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 61.82 1a9x s VAL 7805Cb -0.09 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 1a9x s VAL 7805CO 0.03 0.27 -0.14 -0.04 0.00 0.00 0.00 175.10 175.22 1a9x s MET 7806N -2.11 0.96 -0.21 2.72 -1.94 -0.44 -4.95 119.30 113.33 1a9x s MET 7806Ca 0.30 -0.68 -0.15 0.00 -1.71 0.00 0.00 55.69 53.45 1a9x s MET 7806Cb -0.13 -0.95 -0.04 0.00 2.01 0.00 0.00 34.83 35.72 1a9x s MET 7806CO 0.21 0.24 0.34 0.42 -0.01 0.00 0.00 175.02 176.23 1a9x s ILE 7807N -0.71 5.24 0.19 2.53 -1.09 -1.26 -0.03 121.20 126.07 1a9x s ILE 7807Ca 0.02 0.59 0.06 0.00 -2.23 0.00 0.00 60.65 59.09 1a9x s ILE 7807Cb -0.07 -3.68 -0.05 0.00 -1.58 0.00 0.00 42.46 37.08 1a9x s ILE 7807CO 0.01 0.28 -0.10 0.42 -1.23 0.00 0.00 174.94 174.32 1a9x s THR 7808N 1.22 1.39 -0.12 2.92 -4.23 0.45 -4.12 115.64 113.15 1a9x s THR 7808Ca 0.17 -2.12 -0.20 0.00 -1.18 0.00 0.00 61.69 58.36 1a9x s THR 7808Cb -0.14 -2.06 -0.04 0.00 1.34 0.00 0.00 72.50 71.60 1a9x s THR 7808CO 0.07 -0.58 0.58 0.00 -0.54 0.00 0.00 174.62 174.15 1a9x s ALA 7809N -3.19 3.45 -0.02 3.99 0.00 -1.26 -2.73 121.76 122.00 1a9x s ALA 7809Ca 0.22 -0.12 0.03 0.00 0.00 0.00 0.00 51.96 52.09 1a9x s ALA 7809Cb 0.02 -2.82 -0.00 0.00 0.00 0.00 0.00 23.12 20.32 1a9x s ALA 7809CO 0.05 -0.17 -0.11 -0.65 0.00 0.00 0.00 175.76 174.88 1a9x s GLN 7810N 1.00 1.01 -0.39 0.00 -1.52 -0.21 -1.22 119.66 118.33 1a9x s GLN 7810Ca 0.30 -0.38 0.04 0.00 -1.95 0.00 0.00 55.36 53.37 1a9x s GLN 7810Cb -0.16 -0.95 0.16 0.00 -0.22 0.00 0.00 33.01 31.84 1a9x s GLN 7810CO 0.13 0.19 0.45 1.21 -0.25 0.00 0.00 175.29 177.02 1a9x s ASN 7811N -0.06 0.43 -0.28 5.90 2.47 -0.84 -1.63 114.94 120.93 1a9x s ASN 7811Ca 0.01 -1.47 -0.24 0.00 0.42 0.00 0.00 52.86 51.58 1a9x s ASN 7811Cb -0.07 0.91 0.11 0.00 -1.45 0.00 0.00 41.25 40.75 1a9x s ASN 7811CO 0.00 -0.22 0.94 -1.38 -3.72 0.00 0.00 177.10 172.72 1a9x s HIS 7812N 1.43 -0.58 -1.09 0.43 -3.43 -0.46 -4.98 115.29 106.61 1a9x s HIS 7812Ca 0.18 1.37 0.11 0.00 -0.80 0.00 0.00 55.06 55.92 1a9x s HIS 7812Cb -0.12 0.35 0.01 0.00 -1.43 0.00 0.00 32.58 31.40 1a9x s HIS 7812CO -0.04 -0.28 0.71 0.41 -2.00 0.00 0.00 174.74 173.53 1a9x n GLY 7813N 2.56 -0.16 3.35 -1.38 0.00 -1.26 -0.72 105.19 107.58 1a9x n GLY 7813Ca -0.14 -0.32 -0.28 0.00 0.00 0.00 0.00 46.02 45.28 1a9x n GLY 7813CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a9x s PHE 7814N -1.37 2.21 0.11 1.61 0.40 -1.26 0.11 117.98 119.80 1a9x s PHE 7814Ca 0.10 -0.39 0.04 0.00 -0.60 0.00 0.00 56.93 56.07 1a9x s PHE 7814Cb 0.09 -1.25 -0.04 0.00 0.51 0.00 0.00 43.02 42.33 1a9x s PHE 7814CO 0.25 0.23 -0.10 0.00 0.70 0.00 0.00 175.22 176.31 1a9x s ALA 7815N -0.97 1.22 -0.14 5.36 0.00 0.19 -4.87 121.76 122.56 1a9x s ALA 7815Ca 0.12 -1.28 -0.19 0.00 0.00 0.00 0.00 51.96 50.61 1a9x s ALA 7815Cb -0.10 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 1a9x s ALA 7815CO 0.04 -0.05 0.51 0.08 0.00 0.00 0.00 175.76 176.34 1a9x s VAL 7816N -2.69 5.15 -0.06 0.00 1.01 -1.26 0.17 120.40 122.72 1a9x s VAL 7816Ca 0.09 1.00 -0.30 0.00 0.00 0.00 0.00 61.98 62.77 1a9x s VAL 7816Cb -0.01 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 1a9x s VAL 7816CO 0.00 0.27 1.46 -0.62 0.00 0.00 0.00 175.10 176.21 1a9x s ASP 7817N 0.81 6.80 0.42 3.32 -1.08 0.59 -4.56 116.67 122.97 1a9x s ASP 7817Ca 0.26 2.06 0.09 0.00 -0.52 0.00 0.00 52.55 54.45 1a9x s ASP 7817Cb -0.15 -2.55 0.92 0.00 -1.46 0.00 0.00 42.92 39.68 1a9x s ASP 7817CO 0.11 -0.81 2.03 -0.08 0.52 0.00 0.00 175.17 176.94 1a9x h GLU 7818N 8.54 0.34 0.00 4.34 4.81 -1.96 -2.72 114.58 127.93 1a9x h GLU 7818Ca -0.36 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 1a9x h GLU 7818Cb 1.16 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1a9x h GLU 7818CO 0.94 0.29 0.00 0.00 -0.73 0.00 0.00 179.01 179.51 1a9x n ALA 7819N -2.49 1.80 -1.56 2.92 0.00 -1.26 -2.81 120.51 117.11 1a9x n ALA 7819Ca 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 53.44 53.42 1a9x n ALA 7819Cb 0.13 -1.32 0.20 0.00 0.00 0.00 0.00 19.45 18.45 1a9x n ALA 7819CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1a9x n THR 7820N -1.75 2.40 -2.72 0.00 -2.24 -1.03 -5.00 114.28 103.94 1a9x n THR 7820Ca 0.04 -3.07 -0.43 0.00 -2.27 0.00 0.00 64.05 58.32 1a9x n THR 7820Cb 0.23 -0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 68.11 1a9x n THR 7820CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1a9x s LEU 7821N -3.27 4.12 1.09 3.22 1.02 -1.12 -3.82 118.68 119.91 1a9x s LEU 7821Ca 0.42 1.32 -0.12 0.00 0.02 0.00 0.00 54.13 55.77 1a9x s LEU 7821Cb 0.39 -3.46 0.24 0.00 0.02 0.00 0.00 46.19 43.38 1a9x s LEU 7821CO -0.04 -0.61 1.06 -2.16 0.02 0.00 0.00 176.35 174.63 1a9x s PRO 7822N 2.96 -0.34 0.00 1.29 0.04 -1.26 -4.89 135.00 132.79 1a9x s PRO 7822Ca 0.42 1.03 0.26 0.00 0.04 0.00 0.00 61.00 62.75 1a9x s PRO 7822Cb -0.15 -1.61 0.72 0.00 0.04 0.00 0.00 34.50 33.50 1a9x s PRO 7822CO 0.08 -3.39 1.56 0.00 0.04 0.00 0.00 177.00 175.28 1a9x n ALA 7823N -4.71 3.22 1.04 8.56 0.00 -1.26 -2.92 120.51 124.43 1a9x n ALA 7823Ca 0.05 -0.31 0.01 0.00 0.00 0.00 0.00 53.44 53.20 1a9x n ALA 7823Cb 0.54 -1.20 0.06 0.00 0.00 0.00 0.00 19.45 18.85 1a9x n ALA 7823CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1a9x n ASN 7824N -1.35 1.35 -3.79 0.00 2.04 -1.26 -4.55 115.26 107.70 1a9x n ASN 7824Ca 0.07 -2.09 -0.30 0.00 -0.44 0.00 0.00 54.58 51.82 1a9x n ASN 7824Cb 0.33 -0.36 -0.15 0.00 -2.53 0.00 0.00 39.78 37.07 1a9x n ASN 7824CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 1a9x s LEU 7825N -0.65 2.32 0.36 -4.53 1.43 -1.15 -0.13 118.68 116.32 1a9x s LEU 7825Ca 0.09 -1.45 -0.08 0.00 -1.03 0.00 0.00 54.13 51.66 1a9x s LEU 7825Cb 0.06 -0.93 -0.06 0.00 0.03 0.00 0.00 46.19 45.29 1a9x s LEU 7825CO 0.04 -0.36 0.67 0.00 0.23 0.00 0.00 176.35 176.93 1a9x s ARG 7826N 1.56 3.71 -0.19 1.70 1.70 -0.16 -4.75 118.95 122.52 1a9x s ARG 7826Ca 0.05 0.26 -0.25 0.00 -0.47 0.00 0.00 55.73 55.32 1a9x s ARG 7826Cb -0.18 -2.50 -0.01 0.00 -0.57 0.00 0.00 34.95 31.69 1a9x s ARG 7826CO -0.17 0.07 0.83 0.08 -1.08 0.00 0.00 175.30 175.03 1a9x s VAL 7827N -2.25 4.87 -0.08 4.99 1.01 -1.26 -1.92 120.40 125.76 1a9x s VAL 7827Ca 0.48 1.61 0.07 0.00 0.00 0.00 0.00 61.98 64.14 1a9x s VAL 7827Cb -0.10 -4.13 -0.10 0.00 0.00 0.00 0.00 36.38 32.05 1a9x s VAL 7827CO 0.31 0.00 0.02 0.35 0.00 0.00 0.00 175.10 175.79 1a9x n THR 7828N 4.85 0.56 -3.80 3.92 -2.24 0.02 -4.87 114.28 112.71 1a9x n THR 7828Ca 0.05 -0.34 -0.12 0.00 -2.27 0.00 0.00 64.05 61.36 1a9x n THR 7828Cb 0.48 -0.79 -0.10 0.00 -2.10 0.00 0.00 70.33 67.83 1a9x n THR 7828CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1a9x s HIS 7829N -2.20 -0.17 0.01 4.78 3.76 -1.14 -1.22 115.29 119.11 1a9x s HIS 7829Ca -0.04 0.36 0.00 0.00 -0.15 0.00 0.00 55.06 55.23 1a9x s HIS 7829Cb 0.02 0.06 -0.01 0.00 1.11 0.00 0.00 32.58 33.76 1a9x s HIS 7829CO 0.33 -0.23 -0.02 0.15 -0.85 0.00 0.00 174.74 174.11 1a9x s LYS 7830N -0.62 0.20 0.05 1.40 1.02 -0.71 -0.39 119.74 120.69 1a9x s LYS 7830Ca -0.07 -0.28 -0.30 0.00 0.02 0.00 0.00 55.97 55.33 1a9x s LYS 7830Cb -0.04 -0.05 -0.08 0.00 -0.52 0.00 0.00 37.83 37.14 1a9x s LYS 7830CO 0.02 0.00 1.65 0.45 -0.92 0.00 0.00 175.35 176.55 1a9x s SER 7831N -0.61 6.62 0.00 2.83 0.15 0.47 -0.46 113.70 122.70 1a9x s SER 7831Ca -0.06 2.43 0.25 0.00 0.70 0.00 0.00 55.95 59.28 1a9x s SER 7831Cb -0.04 -2.56 1.48 0.00 -1.71 0.00 0.00 66.02 63.19 1a9x s SER 7831CO -0.00 -0.89 1.86 0.18 1.20 0.00 0.00 173.24 175.59 1a9x n LEU 7832N 5.86 0.00 -0.03 3.45 4.32 0.16 -0.85 117.00 129.92 1a9x n LEU 7832Ca 0.16 0.00 -0.17 0.00 -0.02 0.00 0.00 56.01 55.98 1a9x n LEU 7832Cb 0.41 0.00 -0.14 0.00 -1.62 0.00 0.00 43.42 42.07 1a9x n LEU 7832CO 0.63 0.00 -0.86 0.49 -1.22 0.00 0.00 177.39 176.43 1a9x n PHE 7833N -0.96 0.92 -1.02 -1.77 3.72 -1.26 -4.71 117.46 112.38 1a9x n PHE 7833Ca 0.19 0.23 0.00 0.00 -0.05 0.00 0.00 57.45 57.81 1a9x n PHE 7833Cb 0.08 -1.13 0.00 0.00 -0.94 0.00 0.00 39.48 37.49 1a9x n PHE 7833CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1a9x n ASP 7834N -3.30 0.00 0.00 4.37 5.68 -1.18 -4.99 116.55 117.14 1a9x n ASP 7834Ca -0.31 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.98 1a9x n ASP 7834Cb 1.05 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 41.03 1a9x n ASP 7834CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a9x n GLY 7835N 0.00 1.40 3.73 6.12 0.00 -0.03 -4.99 105.19 111.42 1a9x n GLY 7835Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1a9x n GLY 7835CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a9x s THR 7836N -3.35 2.49 0.21 2.61 -4.23 -1.26 -4.57 115.64 107.55 1a9x s THR 7836Ca 0.00 0.22 -0.31 0.00 -1.18 0.00 0.00 61.69 60.42 1a9x s THR 7836Cb 0.00 -2.68 -0.10 0.00 1.34 0.00 0.00 72.50 71.05 1a9x s THR 7836CO 0.00 -0.15 1.53 -0.22 -0.54 0.00 0.00 174.62 175.24 1a9x s LEU 7837N -5.41 4.37 0.00 4.79 2.96 -1.26 -0.40 118.68 123.73 1a9x s LEU 7837Ca 0.71 2.69 0.00 0.00 -0.22 0.00 0.00 54.13 57.31 1a9x s LEU 7837Cb -0.26 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.82 1a9x s LEU 7837CO 0.48 -0.80 0.00 0.00 -1.32 0.00 0.00 176.35 174.71 1a9x n GLN 7838N 3.12 1.81 -3.51 1.98 1.13 0.47 -4.76 117.38 117.62 1a9x n GLN 7838Ca 0.11 0.00 -0.16 0.00 -1.94 0.00 0.00 57.00 55.00 1a9x n GLN 7838Cb 0.39 -0.86 -0.05 0.00 0.11 0.00 0.00 30.24 29.83 1a9x n GLN 7838CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1a9x s GLY 7839N -1.57 -0.57 0.04 1.08 0.00 -0.50 0.25 107.32 106.05 1a9x s GLY 7839Ca 0.00 1.07 -0.10 0.00 0.00 0.00 0.00 44.72 45.69 1a9x s GLY 7839CO 0.00 0.72 0.21 -0.26 0.00 0.00 0.00 173.10 173.77 1a9x s ILE 7840N -1.83 0.10 -0.03 0.90 -4.36 -0.40 -0.80 121.20 114.78 1a9x s ILE 7840Ca -0.08 -0.83 -0.01 0.00 -0.26 0.00 0.00 60.65 59.47 1a9x s ILE 7840Cb -0.00 -0.88 0.03 0.00 1.25 0.00 0.00 42.46 42.86 1a9x s ILE 7840CO 0.04 -0.46 0.04 -2.28 0.24 0.00 0.00 174.94 172.52 1a9x s HIS 7841N -2.44 0.07 0.38 1.37 2.46 -0.81 -0.94 115.29 115.38 1a9x s HIS 7841Ca -0.06 0.16 -0.27 0.00 0.47 0.00 0.00 55.06 55.36 1a9x s HIS 7841Cb -0.02 -0.34 -0.09 0.00 -0.13 0.00 0.00 32.58 32.00 1a9x s HIS 7841CO -0.03 -0.13 1.32 1.03 -2.47 0.00 0.00 174.74 174.46 1a9x s ARG 7842N 1.47 4.11 0.42 2.88 1.81 0.21 -0.99 118.95 128.87 1a9x s ARG 7842Ca -0.04 2.21 0.23 0.00 -1.72 0.00 0.00 55.73 56.41 1a9x s ARG 7842Cb -0.13 -2.88 0.32 0.00 -0.45 0.00 0.00 34.95 31.81 1a9x s ARG 7842CO -0.03 -0.39 1.58 1.79 -0.68 0.00 0.00 175.30 177.56 1a9x h THR 7843N 2.70 0.01 0.00 0.02 1.35 -0.84 -3.36 112.91 112.80 1a9x h THR 7843Ca -0.49 -1.02 -0.21 0.00 -0.55 0.00 0.00 66.41 64.13 1a9x h THR 7843Cb 1.24 1.98 -0.04 0.00 -1.73 0.00 0.00 68.15 69.60 1a9x h THR 7843CO 0.64 0.01 -2.09 -0.90 -0.25 0.00 0.00 175.52 172.93 1a9x n ASP 7844N -3.08 0.67 -4.38 5.36 5.75 -1.26 -5.04 116.55 114.58 1a9x n ASP 7844Ca 0.04 0.00 -0.19 0.00 -0.01 0.00 0.00 54.79 54.63 1a9x n ASP 7844Cb 0.53 1.25 -0.10 0.00 -1.03 0.00 0.00 41.12 41.77 1a9x n ASP 7844CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1a9x s LYS 7845N -2.73 1.45 -0.24 0.11 -0.14 -1.26 -5.03 119.74 111.90 1a9x s LYS 7845Ca -0.08 -1.75 -0.05 0.00 -1.36 0.00 0.00 55.97 52.73 1a9x s LYS 7845Cb 0.08 -0.81 -0.16 0.00 -1.68 0.00 0.00 37.83 35.26 1a9x s LYS 7845CO 0.74 -0.08 2.62 -2.30 -0.76 0.00 0.00 175.35 175.58 1a9x n PRO 7846N -0.51 1.66 -4.08 -1.68 -0.02 -1.26 -4.30 135.00 124.80 1a9x n PRO 7846Ca -0.05 -0.91 -0.27 0.00 -2.02 0.00 0.00 63.50 60.25 1a9x n PRO 7846Cb 0.64 -2.00 -0.17 0.00 -0.02 0.00 0.00 33.50 31.95 1a9x n PRO 7846CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a9x s ALA 7847N 1.90 1.41 0.03 3.55 0.00 -1.26 0.49 121.76 127.89 1a9x s ALA 7847Ca 0.47 -0.58 -0.04 0.00 0.00 0.00 0.00 51.96 51.81 1a9x s ALA 7847Cb 0.20 -0.86 -0.01 0.00 0.00 0.00 0.00 23.12 22.45 1a9x s ALA 7847CO -0.01 -0.29 0.07 -0.59 0.00 0.00 0.00 175.76 174.94 1a9x s PHE 7848N 1.43 0.24 0.07 0.00 -0.71 -0.63 0.68 117.98 119.06 1a9x s PHE 7848Ca 0.01 -0.55 -0.18 0.00 -1.04 0.00 0.00 56.93 55.16 1a9x s PHE 7848Cb -0.13 -0.17 0.04 0.00 -1.21 0.00 0.00 43.02 41.54 1a9x s PHE 7848CO -0.06 -0.34 0.42 -1.54 -1.34 0.00 0.00 175.22 172.37 1a9x s SER 7849N -2.08 -0.29 -0.06 1.98 1.04 -0.11 -2.17 113.70 112.01 1a9x s SER 7849Ca -0.06 -0.08 0.03 0.00 0.48 0.00 0.00 55.95 56.33 1a9x s SER 7849Cb -0.02 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1a9x s SER 7849CO -0.04 -0.73 -0.16 0.12 0.98 0.00 0.00 173.24 173.40 1a9x s PHE 7850N -2.90 1.72 0.32 5.02 5.36 -0.27 -1.27 117.98 125.96 1a9x s PHE 7850Ca -0.03 -0.58 0.13 0.00 -0.96 0.00 0.00 56.93 55.49 1a9x s PHE 7850Cb 0.00 -1.19 0.59 0.00 -0.34 0.00 0.00 43.02 42.08 1a9x s PHE 7850CO -0.05 -0.24 1.74 0.37 -1.46 0.00 0.00 175.22 175.58 1a9x h GLN 7851N 6.57 0.00 0.00 10.12 5.75 -0.52 -3.38 115.11 133.65 1a9x h GLN 7851Ca -0.30 0.00 -0.24 0.00 -0.15 0.00 0.00 58.65 57.96 1a9x h GLN 7851Cb 1.19 0.00 0.07 0.00 1.07 0.00 0.00 27.48 29.81 1a9x h GLN 7851CO 0.48 0.46 0.15 0.41 -2.65 0.00 0.00 178.83 177.67 1a9x n GLY 7852N -0.14 -0.34 3.18 2.39 0.00 -1.26 -4.78 105.19 104.23 1a9x n GLY 7852Ca -0.01 -1.84 -0.40 0.00 0.00 0.00 0.00 46.02 43.77 1a9x n GLY 7852CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1a9x s ASN 7853N -3.40 5.73 0.58 1.61 -0.87 -0.36 -4.92 114.94 113.30 1a9x s ASN 7853Ca 0.38 -2.68 0.27 0.00 -1.57 0.00 0.00 52.86 49.26 1a9x s ASN 7853Cb -0.02 -1.98 1.66 0.00 -0.02 0.00 0.00 41.25 40.89 1a9x s ASN 7853CO 0.26 -0.47 2.16 -0.65 -2.57 0.00 0.00 177.10 175.83 1a9x h PRO 7854N 7.44 0.00 0.00 -0.60 0.10 -1.85 0.14 132.00 137.23 1a9x h PRO 7854Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.09 1a9x h PRO 7854Cb 0.99 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.09 1a9x h PRO 7854CO 0.74 0.00 -0.05 -0.85 0.10 0.00 0.00 178.00 177.94 1a9x n GLU 7855N -3.94 0.18 0.00 1.05 0.00 -1.26 -3.60 120.64 113.07 1a9x n GLU 7855Ca -0.00 0.14 0.00 0.00 0.00 0.00 0.00 57.16 57.30 1a9x n GLU 7855Cb 0.22 -1.70 0.00 0.00 0.00 0.00 0.00 31.44 29.96 1a9x n GLU 7855CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1a9x n ALA 7856N -1.70 0.00 -2.75 -1.84 0.00 0.51 -4.90 120.51 109.83 1a9x n ALA 7856Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.45 1a9x n ALA 7856Cb 0.40 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.86 1a9x n ALA 7856CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1a9x n SER 7857N 1.40 -7.23 -4.98 0.00 2.88 -1.26 -4.83 113.62 99.60 1a9x n SER 7857Ca 0.00 0.32 -0.20 0.00 -1.33 0.00 0.00 58.87 57.66 1a9x n SER 7857Cb 0.00 -4.87 0.02 0.00 -0.75 0.00 0.00 64.21 58.61 1a9x n SER 7857CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1a9x s PRO 7858N -2.59 2.80 0.00 -1.46 0.04 -1.26 -4.81 135.00 127.71 1a9x s PRO 7858Ca 0.16 -0.86 0.00 0.00 0.04 0.00 0.00 61.00 60.34 1a9x s PRO 7858Cb -0.04 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.89 1a9x s PRO 7858CO 0.67 -0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.71 1a9x n GLY 7859N -2.08 2.14 3.69 0.56 0.00 -1.26 -4.78 105.19 103.45 1a9x n GLY 7859Ca 0.05 -2.10 -0.38 0.00 0.00 0.00 0.00 46.02 43.59 1a9x n GLY 7859CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a9x n PRO 7860N -1.26 1.15 -0.15 1.61 -0.04 -1.26 -4.87 135.00 130.18 1a9x n PRO 7860Ca 0.00 0.44 0.08 0.00 -0.04 0.00 0.00 63.50 63.98 1a9x n PRO 7860Cb 0.00 -2.39 0.26 0.00 -0.04 0.00 0.00 33.50 31.32 1a9x n PRO 7860CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1a9x n HIS 7861N -1.64 0.38 -0.31 0.54 8.25 -1.26 -4.59 115.22 116.58 1a9x n HIS 7861Ca 0.14 -0.19 0.21 0.00 -0.26 0.00 0.00 57.72 57.61 1a9x n HIS 7861Cb 0.47 0.00 0.49 0.00 1.12 0.00 0.00 29.99 32.06 1a9x n HIS 7861CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 1a9x h ASP 7862N 2.28 0.48 -0.47 0.41 5.19 -1.91 -2.41 116.42 119.99 1a9x h ASP 7862Ca 0.00 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 1a9x h ASP 7862Cb 0.51 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.02 1a9x h ASP 7862CO 0.00 0.13 0.00 0.00 -3.12 0.00 0.00 179.24 176.25 1a9x n ALA 7863N -2.46 2.43 0.14 3.45 0.00 -1.26 -4.47 120.51 118.33 1a9x n ALA 7863Ca 0.24 -0.87 0.14 0.00 0.00 0.00 0.00 53.44 52.95 1a9x n ALA 7863Cb 0.80 -0.97 0.67 0.00 0.00 0.00 0.00 19.45 19.96 1a9x n ALA 7863CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a9x h ALA 7864N 4.01 2.23 0.00 0.00 0.00 -1.49 -2.52 119.26 121.49 1a9x h ALA 7864Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1a9x h ALA 7864Cb 0.69 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1a9x h ALA 7864CO 0.00 -0.32 0.00 -2.30 0.00 0.00 0.00 179.25 176.63 1a9x n PRO 7865N -4.44 0.14 -0.29 0.00 -0.02 -1.26 -2.26 135.00 126.87 1a9x n PRO 7865Ca 0.03 0.43 0.09 0.00 -2.02 0.00 0.00 63.50 62.04 1a9x n PRO 7865Cb 0.34 -1.81 0.33 0.00 -0.02 0.00 0.00 33.50 32.34 1a9x n PRO 7865CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1a9x h LEU 7866N 0.00 0.75 -1.29 2.45 4.07 -1.81 0.30 115.31 119.78 1a9x h LEU 7866Ca 0.00 0.03 -0.06 0.00 0.08 0.00 0.00 57.88 57.93 1a9x h LEU 7866Cb 0.27 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.88 1a9x h LEU 7866CO 0.00 0.41 -0.21 -0.26 -1.08 0.00 0.00 178.44 177.30 1a9x h PHE 7867N 0.81 0.23 -1.01 1.13 0.04 -1.68 -2.76 116.94 113.71 1a9x h PHE 7867Ca 0.44 -0.04 0.05 0.00 2.80 0.00 0.00 57.97 61.23 1a9x h PHE 7867Cb 0.56 -0.06 -0.06 0.00 2.20 0.00 0.00 35.95 38.58 1a9x h PHE 7867CO -0.00 0.42 0.65 -0.44 -0.60 0.00 0.00 178.31 178.34 1a9x h ASP 7868N 0.20 1.07 -0.47 2.17 3.32 -0.54 -2.65 116.42 119.52 1a9x h ASP 7868Ca 0.04 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 1a9x h ASP 7868Cb 0.49 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1a9x h ASP 7868CO 0.03 0.70 0.17 -0.74 -1.72 0.00 0.00 179.24 177.68 1a9x h HIS 7869N 1.22 0.73 -0.73 4.55 2.76 -1.33 -1.01 115.15 121.34 1a9x h HIS 7869Ca 0.42 -0.06 0.04 0.00 -2.20 0.00 0.00 60.37 58.56 1a9x h HIS 7869Cb 0.10 -0.22 -0.04 0.00 1.55 0.00 0.00 27.41 28.81 1a9x h HIS 7869CO -0.00 0.63 0.48 0.35 -1.30 0.00 0.00 177.93 178.09 1a9x h PHE 7870N 0.62 0.84 -0.08 5.26 3.57 -1.46 -0.78 116.94 124.91 1a9x h PHE 7870Ca 0.15 0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.49 1a9x h PHE 7870Cb 0.23 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1a9x h PHE 7870CO 0.01 0.49 -0.71 0.82 -2.23 0.00 0.00 178.31 176.68 1a9x h ILE 7871N 0.87 1.38 -0.50 1.41 1.08 -1.17 -0.52 117.51 120.07 1a9x h ILE 7871Ca 0.29 -2.11 -0.06 0.00 -0.39 0.00 0.00 64.86 62.59 1a9x h ILE 7871Cb 0.07 2.08 -0.02 0.00 -3.07 0.00 0.00 36.82 35.88 1a9x h ILE 7871CO -0.08 0.63 0.05 -0.33 -0.69 0.00 0.00 178.15 177.73 1a9x h GLU 7872N 0.28 0.79 -0.12 2.37 5.08 0.16 0.19 114.58 123.33 1a9x h GLU 7872Ca -0.03 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.11 1a9x h GLU 7872Cb 1.28 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1a9x h GLU 7872CO 0.12 0.77 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.77 1a9x h LEU 7873N 0.75 0.26 -1.28 1.33 3.38 -1.07 -1.44 115.31 117.24 1a9x h LEU 7873Ca 0.16 -0.41 0.02 0.00 0.09 0.00 0.00 57.88 57.74 1a9x h LEU 7873Cb 0.38 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 1a9x h LEU 7873CO 0.01 0.61 0.49 0.40 0.09 0.00 0.00 178.44 180.05 1a9x h ILE 7874N -0.09 1.16 0.00 1.22 2.04 -0.76 0.13 117.51 121.21 1a9x h ILE 7874Ca 0.03 -0.33 -0.08 0.00 1.00 0.00 0.00 64.86 65.48 1a9x h ILE 7874Cb 0.51 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1a9x h ILE 7874CO 0.02 0.18 -0.37 -0.33 0.00 0.00 0.00 178.15 177.64 1a9x h GLU 7875N 0.97 0.00 0.08 2.37 5.08 -0.44 -2.28 114.58 120.36 1a9x h GLU 7875Ca 0.28 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.39 1a9x h GLU 7875Cb -0.04 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.21 1a9x h GLU 7875CO -0.07 0.37 -1.13 0.37 -1.00 0.00 0.00 179.01 177.55 1a9x h GLN 7876N 0.00 0.36 -0.12 2.33 4.15 -0.02 -2.92 115.11 118.91 1a9x h GLN 7876Ca -0.00 -0.50 -0.14 0.00 0.77 0.00 0.00 58.65 58.78 1a9x h GLN 7876Cb 0.84 0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.69 1a9x h GLN 7876CO 0.05 1.19 -0.52 -0.92 -1.93 0.00 0.00 178.83 176.70 1a9x h TYR 7877N 0.15 0.40 -0.15 3.99 3.20 -0.64 -2.95 116.97 120.97 1a9x h TYR 7877Ca -0.12 -0.13 -0.10 0.00 3.14 0.00 0.00 58.73 61.52 1a9x h TYR 7877Cb 1.81 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.99 1a9x h TYR 7877CO 0.07 0.78 -0.33 0.00 -1.64 0.00 0.00 178.16 177.04 1a9x h ARG 7878N 0.25 0.31 -0.81 1.82 3.08 -1.47 -2.84 114.38 114.72 1a9x h ARG 7878Ca 0.01 -0.13 0.20 0.00 0.07 0.00 0.00 59.98 60.13 1a9x h ARG 7878Cb 1.00 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.99 1a9x h ARG 7878CO 0.09 0.61 0.55 -0.22 -1.07 0.00 0.00 179.97 179.93 1a9x h LYS 7879N 0.27 0.24 0.00 0.04 3.64 -1.33 -3.51 116.57 115.92 1a9x h LYS 7879Ca 0.03 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1a9x h LYS 7879Cb 0.71 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1a9x h LYS 7879CO 0.05 0.16 0.00 2.41 -2.27 0.00 0.00 179.45 179.81