#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ehu s ILE -347N 0.00 4.30 0.04 3.15 1.01 -1.25 -4.96 121.20 123.49 3ehu s ILE -347Ca 0.00 1.87 -0.31 0.00 0.00 0.00 0.00 60.65 62.22 3ehu s ILE -347Cb 0.00 -4.20 -0.06 0.00 0.01 0.00 0.00 42.46 38.21 3ehu s ILE -347CO 0.00 0.27 1.43 -0.70 0.00 0.00 0.00 174.94 175.94 3ehu s GLU -346N 0.10 4.28 0.27 2.79 2.12 -1.26 -4.76 118.70 122.24 3ehu s GLU -346Ca 0.49 2.04 -0.30 0.00 0.36 0.00 0.00 54.97 57.57 3ehu s GLU -346Cb -0.25 -3.50 -0.09 0.00 0.26 0.00 0.00 34.13 30.55 3ehu s GLU -346CO 0.31 -0.56 1.09 -2.00 -0.54 0.00 0.00 175.26 173.56 3ehu s GLU -345N 2.11 4.65 0.00 4.30 2.12 -1.26 -4.04 118.70 126.58 3ehu s GLU -345Ca 0.65 1.78 0.00 0.00 0.36 0.00 0.00 54.97 57.76 3ehu s GLU -345Cb -0.34 -3.20 0.00 0.00 0.26 0.00 0.00 34.13 30.85 3ehu s GLU -345CO 0.28 0.22 0.00 0.41 -0.54 0.00 0.00 175.26 175.64 3ehu n GLY -344N 1.26 0.62 3.42 -1.50 0.00 -1.26 -5.06 105.19 102.68 3ehu n GLY -344Ca -0.01 -0.67 -0.11 0.00 0.00 0.00 0.00 46.02 45.23 3ehu n GLY -344CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ehu s LYS -343N -1.23 1.44 -0.12 1.61 -2.85 -1.26 -4.44 119.74 112.89 3ehu s LYS -343Ca 0.00 -1.45 0.01 0.00 -1.00 0.00 0.00 55.97 53.53 3ehu s LYS -343Cb 0.00 0.39 0.02 0.00 -2.06 0.00 0.00 37.83 36.17 3ehu s LYS -343CO 0.00 -0.55 -0.15 -0.51 0.10 0.00 0.00 175.35 174.24 3ehu s LEU -342N -3.10 1.70 -0.17 2.77 1.43 -0.17 -4.91 118.68 116.24 3ehu s LEU -342Ca 0.30 -0.45 -0.04 0.00 -1.03 0.00 0.00 54.13 52.92 3ehu s LEU -342Cb 0.02 -1.12 -0.02 0.00 0.03 0.00 0.00 46.19 45.10 3ehu s LEU -342CO 0.11 -0.01 -0.03 -0.69 0.23 0.00 0.00 176.35 175.96 3ehu s VAL -341N 1.16 3.81 -0.06 -1.59 1.01 -1.26 -0.16 120.40 123.31 3ehu s VAL -341Ca -0.03 -0.38 0.06 0.00 0.00 0.00 0.00 61.98 61.63 3ehu s VAL -341Cb -0.14 -2.68 -0.01 0.00 0.00 0.00 0.00 36.38 33.55 3ehu s VAL -341CO -0.05 0.47 -0.24 -0.63 0.00 0.00 0.00 175.10 174.65 3ehu s ILE -340N 0.61 1.99 -0.11 2.22 1.01 0.50 -0.50 121.20 126.92 3ehu s ILE -340Ca -0.02 -1.03 0.00 0.00 0.00 0.00 0.00 60.65 59.60 3ehu s ILE -340Cb -0.14 -1.69 -0.02 0.00 0.01 0.00 0.00 42.46 40.62 3ehu s ILE -340CO 0.02 0.55 -0.13 0.26 0.00 0.00 0.00 174.94 175.65 3ehu s TRP -339N -0.12 2.81 0.00 3.97 0.52 -0.57 -0.08 118.94 125.47 3ehu s TRP -339Ca -0.04 -0.51 -0.08 0.00 0.02 0.00 0.00 56.10 55.49 3ehu s TRP -339Cb -0.14 -1.81 0.00 0.00 -1.15 0.00 0.00 33.47 30.38 3ehu s TRP -339CO 0.04 -0.11 0.15 -1.50 0.02 0.00 0.00 176.95 175.56 3ehu s ILE -338N 0.10 0.08 0.44 2.03 2.07 -0.88 -1.02 121.20 124.03 3ehu s ILE -338Ca -0.06 -0.70 -0.24 0.00 -1.41 0.00 0.00 60.65 58.24 3ehu s ILE -338Cb -0.15 -0.49 -0.08 0.00 0.13 0.00 0.00 42.46 41.88 3ehu s ILE -338CO 0.04 -0.38 1.27 0.21 -1.91 0.00 0.00 174.94 174.17 3ehu s ASN -337N -1.44 6.10 0.14 4.50 2.47 -1.26 -4.11 114.94 121.33 3ehu s ASN -337Ca -0.14 2.57 0.16 0.00 0.42 0.00 0.00 52.86 55.88 3ehu s ASN -337Cb -0.07 -2.63 0.72 0.00 -1.45 0.00 0.00 41.25 37.83 3ehu s ASN -337CO 0.01 -0.99 1.50 0.61 -3.72 0.00 0.00 177.10 174.52 3ehu n GLY -336N 0.62 -0.99 0.15 1.21 0.00 -1.26 -1.52 105.19 103.41 3ehu n GLY -336Ca 0.06 0.04 0.15 0.00 0.00 0.00 0.00 46.02 46.27 3ehu n GLY -336CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ehu n ASP -335N -1.87 0.53 -5.02 1.61 5.75 -1.26 -4.90 116.55 111.39 3ehu n ASP -335Ca 0.02 -0.90 -0.18 0.00 -0.01 0.00 0.00 54.79 53.72 3ehu n ASP -335Cb 0.14 -0.04 0.03 0.00 -1.03 0.00 0.00 41.12 40.22 3ehu n ASP -335CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3ehu s LYS -334N -2.22 2.62 -1.61 0.11 -0.14 -0.57 -4.79 119.74 113.14 3ehu s LYS -334Ca 0.37 -1.40 -0.10 0.00 -1.36 0.00 0.00 55.97 53.47 3ehu s LYS -334Cb 0.21 -2.71 -0.07 0.00 -1.68 0.00 0.00 37.83 33.57 3ehu s LYS -334CO 0.41 -0.50 2.88 0.41 -0.76 0.00 0.00 175.35 177.79 3ehu n GLY -333N -2.00 4.28 0.21 -3.33 0.00 -1.26 -4.65 105.19 98.44 3ehu n GLY -333Ca 0.11 -1.51 0.07 0.00 0.00 0.00 0.00 46.02 44.69 3ehu n GLY -333CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3ehu h TYR -332N 5.12 0.00 -0.31 1.61 -0.00 -1.91 -0.70 116.97 120.77 3ehu h TYR -332Ca 0.84 0.00 -0.17 0.00 0.00 0.00 0.00 58.73 59.41 3ehu h TYR -332Cb 0.32 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.05 3ehu h TYR -332CO 1.84 0.28 -0.46 -0.91 -0.00 0.00 0.00 178.16 178.91 3ehu h ASN -331N 0.00 0.90 -0.48 0.10 2.35 -1.96 0.57 115.58 117.06 3ehu h ASN -331Ca -0.00 -0.44 -0.05 0.00 -0.55 0.00 0.00 56.30 55.25 3ehu h ASN -331Cb 0.65 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 3ehu h ASN -331CO 0.04 1.22 0.09 1.23 -1.65 0.00 0.00 177.43 178.36 3ehu h GLY -330N 0.82 0.84 1.01 2.83 0.00 -1.65 -1.73 103.07 105.19 3ehu h GLY -330Ca 0.04 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 3ehu h GLY -330CO 0.10 0.51 0.44 -2.00 0.00 0.00 0.00 176.54 175.59 3ehu h LEU -329N 0.66 0.95 -1.71 3.11 5.85 -1.04 -2.20 115.31 120.93 3ehu h LEU -329Ca 0.15 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 3ehu h LEU -329Cb 0.37 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3ehu h LEU -329CO 0.01 0.76 0.15 0.00 -0.34 0.00 0.00 178.44 179.02 3ehu h ALA -328N 1.23 1.79 -0.23 1.25 0.00 -0.54 -0.11 119.26 122.65 3ehu h ALA -328Ca 0.27 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 3ehu h ALA -328Cb 0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3ehu h ALA -328CO -0.05 0.19 -0.46 0.93 0.00 0.00 0.00 179.25 179.86 3ehu h GLU -327N 0.35 0.59 -0.32 0.00 5.08 -0.71 0.30 114.58 119.87 3ehu h GLU -327Ca 0.09 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 58.10 3ehu h GLU -327Cb -0.01 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3ehu h GLU -327CO -0.02 0.93 0.09 0.28 -1.00 0.00 0.00 179.01 179.29 3ehu h VAL -326N 0.47 1.21 -0.64 3.13 2.07 -1.07 -2.15 116.25 119.27 3ehu h VAL -326Ca 0.03 -0.70 0.12 0.00 0.82 0.00 0.00 66.70 66.97 3ehu h VAL -326Cb 0.99 1.07 -0.09 0.00 -1.52 0.00 0.00 31.29 31.74 3ehu h VAL -326CO 0.09 0.24 0.16 1.23 0.02 0.00 0.00 177.57 179.31 3ehu h GLY -325N 0.36 0.85 1.13 2.17 0.00 -0.61 -1.67 103.07 105.30 3ehu h GLY -325Ca 0.10 -0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.39 3ehu h GLY -325CO -0.00 -0.12 0.59 0.50 0.00 0.00 0.00 176.54 177.51 3ehu h LYS -324N 0.29 1.17 -0.36 4.80 1.57 -0.17 -0.04 116.57 123.83 3ehu h LYS -324Ca 0.34 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 59.00 3ehu h LYS -324Cb 0.51 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 3ehu h LYS -324CO -0.41 0.77 0.02 -0.22 -0.57 0.00 0.00 179.45 179.05 3ehu h LYS -323N 1.20 0.61 -0.38 3.15 3.64 -1.01 -0.85 116.57 122.94 3ehu h LYS -323Ca 0.33 -0.18 0.05 0.00 -1.27 0.00 0.00 60.65 59.58 3ehu h LYS -323Cb -0.14 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.57 3ehu h LYS -323CO -0.07 0.71 0.09 0.35 -2.27 0.00 0.00 179.45 178.26 3ehu h PHE -322N 0.43 0.16 -0.19 1.91 3.57 -1.07 -1.82 116.94 119.93 3ehu h PHE -322Ca 0.10 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.67 3ehu h PHE -322Cb 0.42 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.09 3ehu h PHE -322CO 0.03 0.04 -0.12 1.49 -2.23 0.00 0.00 178.31 177.52 3ehu h GLU -321N 0.23 -0.11 -0.51 1.11 4.81 -0.83 -1.42 114.58 117.86 3ehu h GLU -321Ca 0.18 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.43 3ehu h GLU -321Cb 0.19 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 3ehu h GLU -321CO -0.22 -0.07 0.34 0.87 -0.73 0.00 0.00 179.01 179.20 3ehu h LYS -320N -0.11 0.65 0.00 1.92 1.57 -0.81 0.79 116.57 120.58 3ehu h LYS -320Ca 0.11 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 3ehu h LYS -320Cb 0.28 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3ehu h LYS -320CO -0.26 0.43 -0.58 -0.44 -0.57 0.00 0.00 179.45 178.03 3ehu h ASP -319N 0.67 0.00 0.00 0.86 3.32 -1.10 -3.39 116.42 116.78 3ehu h ASP -319Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3ehu h ASP -319Cb -0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.51 3ehu h ASP -319CO -0.04 0.27 -0.88 0.35 -1.72 0.00 0.00 179.24 177.22 3ehu n THR -318N -3.04 0.00 -1.03 0.35 -2.24 -0.56 -5.02 114.28 102.74 3ehu n THR -318Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 3ehu n THR -318Cb 0.66 -0.24 -0.01 0.00 -2.10 0.00 0.00 70.33 68.64 3ehu n THR -318CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ehu n GLY -317N 2.45 0.50 3.58 3.38 0.00 0.27 -5.02 105.19 110.35 3ehu n GLY -317Ca 0.00 -0.65 -0.38 0.00 0.00 0.00 0.00 46.02 44.99 3ehu n GLY -317CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ehu s ILE -316N -2.01 5.28 0.11 -0.61 -1.09 -1.25 -5.05 121.20 116.59 3ehu s ILE -316Ca 0.00 0.14 -0.31 0.00 -2.23 0.00 0.00 60.65 58.25 3ehu s ILE -316Cb 0.00 -3.53 -0.08 0.00 -1.58 0.00 0.00 42.46 37.27 3ehu s ILE -316CO 0.00 0.24 1.44 -0.75 -1.23 0.00 0.00 174.94 174.64 3ehu s LYS -315N 1.75 4.29 -0.16 2.79 2.47 -1.26 -3.71 119.74 125.91 3ehu s LYS -315Ca 0.07 2.14 -0.03 0.00 -1.56 0.00 0.00 55.97 56.59 3ehu s LYS -315Cb -0.16 -3.28 -0.02 0.00 -1.46 0.00 0.00 37.83 32.91 3ehu s LYS -315CO 0.11 -0.50 -0.06 0.08 0.16 0.00 0.00 175.35 175.14 3ehu s VAL -314N 1.31 3.65 -0.14 4.02 1.01 -1.26 -0.99 120.40 128.00 3ehu s VAL -314Ca 0.66 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 62.22 3ehu s VAL -314Cb -0.38 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.41 3ehu s VAL -314CO 0.30 0.49 -0.21 -0.89 0.00 0.00 0.00 175.10 174.79 3ehu s THR -313N 0.50 2.15 -0.20 3.92 2.01 0.78 -4.86 115.64 119.93 3ehu s THR -313Ca -0.05 -0.95 -0.07 0.00 0.31 0.00 0.00 61.69 60.93 3ehu s THR -313Cb -0.15 -1.86 -0.04 0.00 0.01 0.00 0.00 72.50 70.47 3ehu s THR -313CO 0.03 0.55 0.07 -0.69 -0.69 0.00 0.00 174.62 173.88 3ehu s VAL -312N 0.75 4.66 0.19 3.82 1.01 -1.26 -0.37 120.40 129.20 3ehu s VAL -312Ca -0.08 -0.07 0.08 0.00 0.00 0.00 0.00 61.98 61.91 3ehu s VAL -312Cb -0.16 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 3ehu s VAL -312CO -0.00 0.42 -0.16 -1.61 0.00 0.00 0.00 175.10 173.74 3ehu s GLU -311N 0.77 1.32 -0.40 2.72 2.02 0.89 -4.95 118.70 121.06 3ehu s GLU -311Ca 0.04 -1.52 0.09 0.00 0.02 0.00 0.00 54.97 53.60 3ehu s GLU -311Cb -0.13 -1.23 0.29 0.00 0.10 0.00 0.00 34.13 33.15 3ehu s GLU -311CO 0.02 0.23 0.69 -2.39 0.02 0.00 0.00 175.26 173.82 3ehu n HIS -310N -0.10 -0.76 -2.04 1.61 1.44 -1.26 -2.07 115.22 112.05 3ehu n HIS -310Ca -0.10 -3.31 -0.38 0.00 -2.01 0.00 0.00 57.72 51.93 3ehu n HIS -310Cb 0.59 0.03 0.01 0.00 0.12 0.00 0.00 29.99 30.74 3ehu n HIS -310CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 3ehu s PRO -309N -1.25 3.44 0.53 -1.40 0.04 -1.26 -4.39 135.00 130.71 3ehu s PRO -309Ca 0.35 1.98 -0.21 0.00 0.04 0.00 0.00 61.00 63.15 3ehu s PRO -309Cb 0.25 -2.31 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 3ehu s PRO -309CO -0.11 -0.87 1.26 0.34 0.04 0.00 0.00 177.00 177.66 3ehu s ASP -308N -1.20 5.55 -1.60 6.66 2.15 -1.26 -3.10 116.67 123.88 3ehu s ASP -308Ca 0.68 2.53 -0.04 0.00 0.43 0.00 0.00 52.55 56.15 3ehu s ASP -308Cb -0.34 -2.62 0.01 0.00 -0.30 0.00 0.00 42.92 39.67 3ehu s ASP -308CO 0.40 -1.36 0.47 0.29 -0.17 0.00 0.00 175.17 174.80 3ehu n LYS -307N -0.98 -4.16 0.02 4.34 5.02 -1.26 -4.86 118.16 116.28 3ehu n LYS -307Ca 0.10 0.92 0.16 0.00 -2.02 0.00 0.00 58.31 57.46 3ehu n LYS -307Cb 0.47 -5.73 0.62 0.00 -0.02 0.00 0.00 35.03 30.37 3ehu n LYS -307CO 0.00 0.00 0.00 1.37 -0.52 0.00 0.00 177.40 178.25 3ehu h LEU -306N -1.07 0.11 -1.48 -0.35 8.10 -1.93 -1.63 115.31 117.05 3ehu h LEU -306Ca -0.52 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.42 3ehu h LEU -306Cb 1.36 -0.02 -0.01 0.00 -0.44 0.00 0.00 40.66 41.56 3ehu h LEU -306CO 0.57 0.07 -0.26 1.05 -4.11 0.00 0.00 178.44 175.75 3ehu h GLU -305N 0.12 0.00 0.10 0.17 9.09 -1.90 0.27 114.58 122.43 3ehu h GLU -305Ca 0.21 0.00 -0.34 0.00 0.05 0.00 0.00 59.36 59.28 3ehu h GLU -305Cb 0.69 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.77 3ehu h GLU -305CO -0.03 0.26 -1.85 0.93 0.05 0.00 0.00 179.01 178.38 3ehu h GLU -304N 0.00 0.22 -0.51 1.06 5.08 -1.78 -3.40 114.58 115.26 3ehu h GLU -304Ca -0.00 -0.37 -0.09 0.00 -1.00 0.00 0.00 59.36 57.90 3ehu h GLU -304Cb 0.51 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 3ehu h GLU -304CO 0.03 1.05 -0.02 0.87 -1.00 0.00 0.00 179.01 179.95 3ehu h LYS -303N 0.06 0.88 0.04 2.33 1.79 -0.93 -3.21 116.57 117.53 3ehu h LYS -303Ca -0.36 -0.26 0.03 0.00 -2.18 0.00 0.00 60.65 57.87 3ehu h LYS -303Cb 2.04 -0.09 -0.05 0.00 -1.58 0.00 0.00 32.23 32.55 3ehu h LYS -303CO 0.11 0.89 -0.39 0.35 -1.08 0.00 0.00 179.45 179.32 3ehu h PHE -302N 0.81 -1.10 -0.16 -1.35 3.57 -0.68 -1.31 116.94 116.72 3ehu h PHE -302Ca 0.15 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 3ehu h PHE -302Cb 0.52 0.48 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 3ehu h PHE -302CO 0.03 -0.48 -0.07 -1.00 -2.23 0.00 0.00 178.31 174.56 3ehu h PRO -301N -0.57 0.23 0.12 6.41 0.13 -1.78 0.11 132.00 136.65 3ehu h PRO -301Ca 0.04 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 3ehu h PRO -301Cb 0.64 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.73 3ehu h PRO -301CO -0.28 0.32 -0.06 1.96 -0.23 0.00 0.00 178.00 179.71 3ehu h GLN -300N 0.23 -0.16 -0.03 0.86 4.20 -1.42 -2.76 115.11 116.03 3ehu h GLN -300Ca 0.05 0.01 -0.24 0.00 0.06 0.00 0.00 58.65 58.54 3ehu h GLN -300Cb 0.27 0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.10 3ehu h GLN -300CO 0.01 -0.10 -0.93 -0.39 -0.67 0.00 0.00 178.83 176.75 3ehu h VAL -299N -0.18 1.34 -0.13 -0.54 -1.51 -0.97 -3.35 116.25 110.91 3ehu h VAL -299Ca -0.02 -2.27 -0.14 0.00 -1.23 0.00 0.00 66.70 63.04 3ehu h VAL -299Cb 0.14 2.31 -0.01 0.00 -2.13 0.00 0.00 31.29 31.59 3ehu h VAL -299CO 0.03 0.69 -0.54 0.00 -1.23 0.00 0.00 177.57 176.53 3ehu h ALA -298N 0.62 0.84 0.00 5.19 0.00 -0.83 -2.72 119.26 122.36 3ehu h ALA -298Ca -0.09 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3ehu h ALA -298Cb 1.57 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3ehu h ALA -298CO 0.17 0.68 0.00 0.00 0.00 0.00 0.00 179.25 180.11 3ehu n ALA -297N -2.49 1.30 0.96 0.00 0.00 -1.04 -0.51 120.51 118.72 3ehu n ALA -297Ca -0.02 -0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.53 3ehu n ALA -297Cb 0.58 -1.13 0.06 0.00 0.00 0.00 0.00 19.45 18.96 3ehu n ALA -297CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3ehu n THR -296N -1.59 0.00 -0.56 0.00 -2.24 -1.04 -4.95 114.28 103.89 3ehu n THR -296Ca 0.01 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 3ehu n THR -296Cb 0.08 1.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 3ehu n THR -296CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ehu n GLY -295N 1.33 0.71 0.94 3.38 0.00 0.33 -4.88 105.19 107.00 3ehu n GLY -295Ca 0.12 -0.10 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 3ehu n GLY -295CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ehu n ASP -294N 0.19 1.06 0.00 1.61 2.03 -1.10 -3.76 116.55 116.58 3ehu n ASP -294Ca 0.00 -1.43 0.00 0.00 0.52 0.00 0.00 54.79 53.88 3ehu n ASP -294Cb 0.00 -0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.35 3ehu n ASP -294CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3ehu n GLY -293N 3.34 -1.30 3.88 0.27 0.00 -1.26 -3.73 105.19 106.40 3ehu n GLY -293Ca 0.01 -2.10 -0.30 0.00 0.00 0.00 0.00 46.02 43.63 3ehu n GLY -293CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ehu s PRO -292N 0.00 3.44 0.17 1.61 0.04 -1.26 -4.87 135.00 134.14 3ehu s PRO -292Ca 0.00 0.56 -0.10 0.00 0.04 0.00 0.00 61.00 61.50 3ehu s PRO -292Cb 0.00 -2.14 0.03 0.00 0.04 0.00 0.00 34.50 32.43 3ehu s PRO -292CO 0.00 -0.57 1.59 -0.44 0.04 0.00 0.00 177.00 177.61 3ehu h ASP -291N -0.26 1.04 -3.88 6.66 5.19 -1.18 -3.40 116.42 120.60 3ehu h ASP -291Ca -0.45 -0.36 -0.52 0.00 -0.62 0.00 0.00 57.03 55.09 3ehu h ASP -291Cb 1.21 -0.28 -0.31 0.00 0.18 0.00 0.00 39.33 40.12 3ehu h ASP -291CO 0.62 1.16 -0.82 -0.63 -3.12 0.00 0.00 179.24 176.45 3ehu s ILE -290N -4.83 1.21 -0.07 0.35 1.01 -1.00 -0.87 121.20 117.01 3ehu s ILE -290Ca -0.12 -0.60 0.05 0.00 0.00 0.00 0.00 60.65 59.98 3ehu s ILE -290Cb 0.13 -1.05 -0.00 0.00 0.01 0.00 0.00 42.46 41.54 3ehu s ILE -290CO 0.87 0.36 -0.22 -0.51 0.00 0.00 0.00 174.94 175.44 3ehu s ILE -289N 0.08 1.83 -0.22 2.92 2.07 -0.13 -1.51 121.20 126.25 3ehu s ILE -289Ca -0.03 -0.92 -0.05 0.00 -1.41 0.00 0.00 60.65 58.24 3ehu s ILE -289Cb -0.10 -1.58 -0.02 0.00 0.13 0.00 0.00 42.46 40.89 3ehu s ILE -289CO 0.02 0.51 0.00 -0.36 -1.91 0.00 0.00 174.94 173.20 3ehu s PHE -288N 0.16 3.02 0.21 3.50 0.40 -0.19 -0.36 117.98 124.72 3ehu s PHE -288Ca -0.11 -0.65 -0.15 0.00 -0.60 0.00 0.00 56.93 55.42 3ehu s PHE -288Cb -0.15 -2.14 0.01 0.00 0.51 0.00 0.00 43.02 41.25 3ehu s PHE -288CO 0.05 -0.41 0.49 -0.46 0.70 0.00 0.00 175.22 175.60 3ehu s TRP -287N 1.39 0.07 0.55 0.36 -0.11 -0.91 -4.27 118.94 116.00 3ehu s TRP -287Ca 0.05 -0.43 -0.21 0.00 1.22 0.00 0.00 56.10 56.72 3ehu s TRP -287Cb -0.15 0.30 -0.05 0.00 -1.50 0.00 0.00 33.47 32.08 3ehu s TRP -287CO 0.00 -0.94 1.29 0.00 -4.62 0.00 0.00 176.95 172.68 3ehu n ALA -286N -0.34 1.31 0.30 5.86 0.00 -1.26 -0.74 120.51 125.63 3ehu n ALA -286Ca -0.07 0.12 0.19 0.00 0.00 0.00 0.00 53.44 53.68 3ehu n ALA -286Cb 0.62 -2.31 0.99 0.00 0.00 0.00 0.00 19.45 18.75 3ehu n ALA -286CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 3ehu h HIS -285N 1.30 0.00 0.00 0.00 2.07 -1.47 -3.04 115.15 114.01 3ehu h HIS -285Ca -0.50 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.00 3ehu h HIS -285Cb 1.31 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.29 3ehu h HIS -285CO 0.44 0.00 -0.08 0.38 -3.07 0.00 0.00 177.93 175.60 3ehu h ASP -284N 0.00 0.00 1.50 3.10 2.03 -1.87 -1.62 116.42 119.55 3ehu h ASP -284Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3ehu h ASP -284Cb 0.08 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.58 3ehu h ASP -284CO 0.00 0.08 -0.12 0.03 -1.03 0.00 0.00 179.24 178.21 3ehu h ARG -283N 0.00 0.00 0.00 4.15 2.47 -1.82 -3.40 114.38 115.78 3ehu h ARG -283Ca -0.00 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.56 3ehu h ARG -283Cb 0.23 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.52 3ehu h ARG -283CO 0.01 0.00 -0.78 0.74 0.56 0.00 0.00 179.97 180.50 3ehu h PHE -282N 0.00 0.00 -0.68 3.04 -1.00 -1.50 -3.00 116.94 113.80 3ehu h PHE -282Ca 0.00 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 3ehu h PHE -282Cb 0.81 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.34 3ehu h PHE -282CO 0.00 0.78 0.36 0.78 -1.61 0.00 0.00 178.31 178.62 3ehu h GLY -281N 2.75 1.03 0.93 -1.45 0.00 -1.55 -0.62 103.07 104.16 3ehu h GLY -281Ca -0.01 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 3ehu h GLY -281CO 0.10 0.46 0.13 -1.33 0.00 0.00 0.00 176.54 175.90 3ehu h GLY -280N 0.94 0.58 0.70 4.60 0.00 -1.67 -1.61 103.07 106.61 3ehu h GLY -280Ca 0.24 -0.33 0.06 0.00 0.00 0.00 0.00 47.33 47.30 3ehu h GLY -280CO -0.04 0.31 0.42 -0.97 0.00 0.00 0.00 176.54 176.26 3ehu h TYR -279N 0.43 0.77 -0.44 5.60 0.05 -1.37 -2.44 116.97 119.58 3ehu h TYR -279Ca 0.12 0.03 -0.14 0.00 0.05 0.00 0.00 58.73 58.78 3ehu h TYR -279Cb 0.21 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 37.70 3ehu h TYR -279CO 0.00 0.38 -0.29 0.00 -1.05 0.00 0.00 178.16 177.21 3ehu h ALA -278N 1.36 0.65 0.00 3.88 0.00 -0.94 -0.34 119.26 123.88 3ehu h ALA -278Ca 0.32 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3ehu h ALA -278Cb 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3ehu h ALA -278CO -0.17 0.68 -0.25 0.37 0.00 0.00 0.00 179.25 179.87 3ehu h GLN -277N 0.81 0.00 -0.00 0.00 4.15 -1.09 -0.97 115.11 118.01 3ehu h GLN -277Ca 0.09 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.51 3ehu h GLN -277Cb 0.87 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.56 3ehu h GLN -277CO 0.08 0.25 0.00 0.43 -1.93 0.00 0.00 178.83 177.66 3ehu n SER -276N -3.81 0.18 -0.78 -0.69 7.64 -0.94 -4.90 113.62 110.33 3ehu n SER -276Ca -0.02 -1.08 -0.08 0.00 1.01 0.00 0.00 58.87 58.71 3ehu n SER -276Cb 0.34 -0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.52 3ehu n SER -276CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ehu n GLY -275N 1.01 0.47 0.07 0.23 0.00 -0.37 -4.92 105.19 101.68 3ehu n GLY -275Ca 0.23 -0.61 0.12 0.00 0.00 0.00 0.00 46.02 45.76 3ehu n GLY -275CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ehu h LEU -274N 0.00 0.00 -8.89 0.99 3.38 -1.24 -3.43 115.31 106.12 3ehu h LEU -274Ca -0.18 -0.20 -0.69 0.00 0.09 0.00 0.00 57.88 56.90 3ehu h LEU -274Cb 0.86 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.38 3ehu h LEU -274CO 0.23 0.10 -0.77 -0.76 0.09 0.00 0.00 178.44 177.34 3ehu s LEU -273N -4.39 2.75 0.38 1.67 1.43 -1.25 -0.02 118.68 119.24 3ehu s LEU -273Ca 0.05 -0.20 -0.25 0.00 -1.03 0.00 0.00 54.13 52.70 3ehu s LEU -273Cb 0.13 -1.56 -0.09 0.00 0.03 0.00 0.00 46.19 44.69 3ehu s LEU -273CO 0.75 0.33 1.05 0.00 0.23 0.00 0.00 176.35 178.70 3ehu s ALA -272N -0.64 3.13 0.20 4.21 0.00 0.02 -4.63 121.76 124.06 3ehu s ALA -272Ca 0.09 0.71 -0.30 0.00 0.00 0.00 0.00 51.96 52.46 3ehu s ALA -272Cb -0.11 -3.27 -0.09 0.00 0.00 0.00 0.00 23.12 19.65 3ehu s ALA -272CO 0.01 -0.18 1.26 -2.00 0.00 0.00 0.00 175.76 174.86 3ehu s GLU -271N -2.34 4.43 0.43 0.00 2.12 -1.26 -4.67 118.70 117.39 3ehu s GLU -271Ca 0.56 1.99 -0.05 0.00 0.36 0.00 0.00 54.97 57.83 3ehu s GLU -271Cb -0.23 -3.21 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 3ehu s GLU -271CO 0.29 -0.18 0.71 0.96 -0.54 0.00 0.00 175.26 176.50 3ehu s ILE -270N -0.02 4.95 -0.30 -3.70 -4.36 -0.65 -5.02 121.20 112.10 3ehu s ILE -270Ca 0.55 0.10 0.14 0.00 -0.26 0.00 0.00 60.65 61.18 3ehu s ILE -270Cb -0.35 -3.84 0.47 0.00 1.25 0.00 0.00 42.46 40.00 3ehu s ILE -270CO 0.38 -0.70 1.12 0.35 0.24 0.00 0.00 174.94 176.33 3ehu n THR -269N -1.91 1.82 -2.22 8.37 -2.24 -1.26 -4.77 114.28 112.06 3ehu n THR -269Ca -0.01 -3.66 -0.39 0.00 -2.27 0.00 0.00 64.05 57.72 3ehu n THR -269Cb 0.55 0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 68.78 3ehu n THR -269CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3ehu s PRO -268N -3.60 4.13 0.96 -0.78 0.04 -1.26 -5.01 135.00 129.47 3ehu s PRO -268Ca 0.38 1.97 -0.12 0.00 0.04 0.00 0.00 61.00 63.27 3ehu s PRO -268Cb 0.38 -2.80 0.16 0.00 0.04 0.00 0.00 34.50 32.29 3ehu s PRO -268CO -0.02 -0.30 1.09 0.16 0.04 0.00 0.00 177.00 177.97 3ehu s ASP -267N -0.92 2.93 0.34 6.66 1.47 -1.26 -4.77 116.67 121.12 3ehu s ASP -267Ca 0.55 1.41 0.02 0.00 1.18 0.00 0.00 52.55 55.70 3ehu s ASP -267Cb -0.34 -2.09 0.61 0.00 -0.34 0.00 0.00 42.92 40.76 3ehu s ASP -267CO 0.43 -2.97 2.00 0.11 0.68 0.00 0.00 175.17 175.43 3ehu h LYS -266N -1.78 0.87 -0.23 2.11 1.57 -1.99 -1.63 116.57 115.50 3ehu h LYS -266Ca -0.52 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 3ehu h LYS -266Cb 1.30 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 3ehu h LYS -266CO 0.55 0.58 0.15 0.00 -0.57 0.00 0.00 179.45 180.15 3ehu h ALA -265N 1.59 0.29 -0.59 3.86 0.00 -1.99 -1.00 119.26 121.41 3ehu h ALA -265Ca 0.24 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3ehu h ALA -265Cb -0.10 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3ehu h ALA -265CO -0.05 -0.23 0.32 0.35 0.00 0.00 0.00 179.25 179.64 3ehu h PHE -264N 0.30 0.82 -0.85 0.00 3.04 -1.81 -2.86 116.94 115.59 3ehu h PHE -264Ca 0.08 -0.02 0.10 0.00 3.98 0.00 0.00 57.97 62.11 3ehu h PHE -264Cb -0.02 -0.26 -0.06 0.00 2.56 0.00 0.00 35.95 38.17 3ehu h PHE -264CO -0.06 0.60 0.55 1.96 -2.02 0.00 0.00 178.31 179.35 3ehu h GLN -263N 0.80 0.80 0.00 1.11 4.20 -1.00 -1.36 115.11 119.67 3ehu h GLN -263Ca 0.21 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 3ehu h GLN -263Cb 0.06 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.66 3ehu h GLN -263CO -0.03 0.53 -0.01 0.22 -0.67 0.00 0.00 178.83 178.87 3ehu h ASP -262N 0.83 0.00 0.99 1.46 3.58 -0.95 -2.67 116.42 119.67 3ehu h ASP -262Ca 0.39 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.84 3ehu h ASP -262Cb 0.42 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.47 3ehu h ASP -262CO -0.16 0.01 -0.00 0.29 -2.88 0.00 0.00 179.24 176.49 3ehu n LYS -261N -3.11 0.00 -4.28 0.28 5.02 -0.51 -4.81 118.16 110.76 3ehu n LYS -261Ca -0.01 -0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.01 3ehu n LYS -261Cb 0.20 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.61 3ehu n LYS -261CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ehu s LEU -260N -3.00 2.97 0.27 -0.35 1.43 -1.01 -1.10 118.68 117.90 3ehu s LEU -260Ca 0.14 -0.55 -0.30 0.00 -1.03 0.00 0.00 54.13 52.39 3ehu s LEU -260Cb 0.19 -1.68 -0.11 0.00 0.03 0.00 0.00 46.19 44.62 3ehu s LEU -260CO 0.53 0.12 1.52 -0.31 0.23 0.00 0.00 176.35 178.44 3ehu s TYR -259N -1.61 2.88 0.25 0.29 2.02 -0.62 -4.90 117.35 115.66 3ehu s TYR -259Ca 0.24 0.89 -0.13 0.00 -0.37 0.00 0.00 57.07 57.70 3ehu s TYR -259Cb -0.09 -3.95 0.34 0.00 -0.40 0.00 0.00 41.96 37.86 3ehu s TYR -259CO 0.15 -3.16 1.57 -1.35 -1.57 0.00 0.00 175.55 171.18 3ehu h PRO -258N 4.99 -0.01 0.00 -1.71 0.11 -1.93 -1.43 132.00 132.01 3ehu h PRO -258Ca -0.46 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3ehu h PRO -258Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3ehu h PRO -258CO 0.79 -0.01 -0.07 0.27 -0.21 0.00 0.00 178.00 178.77 3ehu h PHE -257N -0.01 0.00 -0.16 0.65 -0.00 -2.00 -1.35 116.94 114.07 3ehu h PHE -257Ca 0.40 0.00 -0.22 0.00 -0.00 0.00 0.00 57.97 58.15 3ehu h PHE -257Cb 0.65 0.00 0.01 0.00 -0.00 0.00 0.00 35.95 36.61 3ehu h PHE -257CO -0.77 0.07 -0.77 1.79 -0.00 0.00 0.00 178.31 178.63 3ehu h THR -256N 0.00 1.28 -0.69 0.88 1.35 -1.64 -2.91 112.91 111.17 3ehu h THR -256Ca -0.00 -1.96 -0.03 0.00 -0.55 0.00 0.00 66.41 63.87 3ehu h THR -256Cb 0.20 1.96 -0.03 0.00 -1.73 0.00 0.00 68.15 68.55 3ehu h THR -256CO 0.01 0.62 0.31 -0.50 -0.25 0.00 0.00 175.52 175.71 3ehu h TRP -255N 0.55 1.00 -0.45 4.73 -0.00 -1.19 -2.64 115.95 117.95 3ehu h TRP -255Ca -0.05 -0.05 0.03 0.00 -0.00 0.00 0.00 58.89 58.82 3ehu h TRP -255Cb 1.40 -0.31 -0.02 0.00 -0.00 0.00 0.00 29.16 30.22 3ehu h TRP -255CO 0.09 0.74 0.30 -0.44 -0.00 0.00 0.00 178.44 179.13 3ehu h ASP -254N 0.99 0.43 1.15 -3.49 5.19 -1.22 -2.56 116.42 116.92 3ehu h ASP -254Ca 0.24 -0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.61 3ehu h ASP -254Cb 0.13 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 39.54 3ehu h ASP -254CO -0.03 0.30 -0.14 0.00 -3.12 0.00 0.00 179.24 176.25 3ehu h ALA -253N 1.74 0.99 -0.26 3.45 0.00 -1.28 -2.93 119.26 120.96 3ehu h ALA -253Ca 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ehu h ALA -253Cb 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3ehu h ALA -253CO -0.04 0.17 0.00 1.33 0.00 0.00 0.00 179.25 180.71 3ehu n VAL -252N -3.24 2.06 -3.72 0.00 0.24 -0.98 -4.75 118.33 107.94 3ehu n VAL -252Ca 0.01 -1.75 -0.36 0.00 -2.04 0.00 0.00 64.34 60.20 3ehu n VAL -252Cb 0.42 -0.13 -0.10 0.00 -1.47 0.00 0.00 33.84 32.56 3ehu n VAL -252CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3ehu s ARG -251N -2.53 3.96 -0.06 7.34 3.52 -1.09 -1.28 118.95 128.82 3ehu s ARG -251Ca 0.39 -0.33 -0.01 0.00 -0.13 0.00 0.00 55.73 55.64 3ehu s ARG -251Cb 0.30 -3.48 0.03 0.00 -1.56 0.00 0.00 34.95 30.24 3ehu s ARG -251CO 0.10 0.00 0.02 -0.47 -0.81 0.00 0.00 175.30 174.13 3ehu s TYR -250N 1.19 0.51 -1.53 5.12 5.04 -0.36 -4.84 117.35 122.49 3ehu s TYR -250Ca 0.06 -0.06 -0.11 0.00 -2.44 0.00 0.00 57.07 54.52 3ehu s TYR -250Cb -0.14 -0.71 0.08 0.00 0.35 0.00 0.00 41.96 41.53 3ehu s TYR -250CO 0.05 -0.29 0.81 0.09 -1.34 0.00 0.00 175.55 174.87 3ehu n ASN -249N 5.15 -3.24 0.00 4.32 3.02 -1.26 -2.31 115.26 120.95 3ehu n ASN -249Ca -0.07 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.60 3ehu n ASN -249Cb 0.50 -3.49 0.00 0.00 -0.61 0.00 0.00 39.78 36.18 3ehu n ASN -249CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ehu n GLY -248N -1.65 3.27 3.65 7.41 0.00 -1.26 -5.04 105.19 111.58 3ehu n GLY -248Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 3ehu n GLY -248CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ehu s LYS -247N -0.56 2.72 -0.04 1.61 1.02 -0.98 -5.07 119.74 118.44 3ehu s LYS -247Ca 0.00 -0.63 -0.30 0.00 0.02 0.00 0.00 55.97 55.06 3ehu s LYS -247Cb 0.00 -2.62 -0.03 0.00 -0.52 0.00 0.00 37.83 34.66 3ehu s LYS -247CO 0.00 0.63 1.15 -0.51 -0.92 0.00 0.00 175.35 175.69 3ehu s LEU -246N -1.41 4.29 0.00 3.17 1.43 -1.26 -1.23 118.68 123.67 3ehu s LEU -246Ca 0.18 1.78 0.04 0.00 -1.03 0.00 0.00 54.13 55.10 3ehu s LEU -246Cb -0.11 -3.56 0.03 0.00 0.03 0.00 0.00 46.19 42.58 3ehu s LEU -246CO 0.08 -0.52 0.63 2.30 0.23 0.00 0.00 176.35 179.07 3ehu n ILE -245N 4.45 0.00 -3.49 -0.59 -5.35 -0.40 -1.63 119.36 112.35 3ehu n ILE -245Ca 0.10 -0.50 -0.10 0.00 -0.27 0.00 0.00 62.75 61.98 3ehu n ILE -245Cb 0.47 1.09 -0.02 0.00 -1.74 0.00 0.00 39.64 39.44 3ehu n ILE -245CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3ehu s ALA -244N -0.37 -1.67 -0.18 -1.28 0.00 -1.26 -4.51 121.76 112.50 3ehu s ALA -244Ca 0.05 0.64 -0.16 0.00 0.00 0.00 0.00 51.96 52.49 3ehu s ALA -244Cb 0.04 0.69 -0.04 0.00 0.00 0.00 0.00 23.12 23.80 3ehu s ALA -244CO 0.05 -0.77 0.39 0.71 0.00 0.00 0.00 175.76 176.15 3ehu s TYR -243N -3.49 3.42 0.27 0.00 1.51 0.08 -4.85 117.35 114.30 3ehu s TYR -243Ca 0.04 0.66 -0.29 0.00 -1.01 0.00 0.00 57.07 56.47 3ehu s TYR -243Cb -0.01 -2.49 -0.09 0.00 -0.11 0.00 0.00 41.96 39.26 3ehu s TYR -243CO -0.10 0.08 1.19 -2.14 -1.11 0.00 0.00 175.55 173.48 3ehu s PRO -242N 0.98 4.52 0.05 -1.71 0.02 -1.26 0.32 135.00 137.91 3ehu s PRO -242Ca 0.20 1.95 -0.02 0.00 0.02 0.00 0.00 61.00 63.14 3ehu s PRO -242Cb -0.14 -3.17 -0.01 0.00 0.02 0.00 0.00 34.50 31.20 3ehu s PRO -242CO 0.07 0.02 -0.05 -0.89 -0.33 0.00 0.00 177.00 175.82 3ehu n ILE -241N 1.42 1.14 -3.98 2.83 2.08 0.14 -4.73 119.36 118.26 3ehu n ILE -241Ca 0.01 0.32 -0.09 0.00 0.56 0.00 0.00 62.75 63.55 3ehu n ILE -241Cb 0.44 -1.67 -0.10 0.00 -0.75 0.00 0.00 39.64 37.55 3ehu n ILE -241CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3ehu s ALA -240N -2.11 0.12 -0.26 -1.39 0.00 -1.09 -1.26 121.76 115.77 3ehu s ALA -240Ca -0.04 -0.68 -0.07 0.00 0.00 0.00 0.00 51.96 51.17 3ehu s ALA -240Cb 0.01 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.31 3ehu s ALA -240CO 0.06 -0.25 0.07 0.08 0.00 0.00 0.00 175.76 175.72 3ehu s VAL -239N -2.27 4.21 -0.21 0.00 1.01 0.64 -0.39 120.40 123.39 3ehu s VAL -239Ca -0.08 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 61.53 3ehu s VAL -239Cb -0.04 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 3ehu s VAL -239CO -0.04 0.27 0.00 -1.61 0.00 0.00 0.00 175.10 173.73 3ehu s GLU -238N 1.58 3.60 -0.03 2.72 2.02 0.12 -3.37 118.70 125.34 3ehu s GLU -238Ca 0.05 -0.53 0.02 0.00 0.02 0.00 0.00 54.97 54.54 3ehu s GLU -238Cb -0.16 -3.10 0.01 0.00 0.10 0.00 0.00 34.13 30.98 3ehu s GLU -238CO 0.03 -0.03 -0.09 0.00 0.02 0.00 0.00 175.26 175.19 3ehu s ALA -237N 1.11 0.86 0.46 5.21 0.00 -1.26 -1.88 121.76 126.26 3ehu s ALA -237Ca 0.03 -0.29 -0.23 0.00 0.00 0.00 0.00 51.96 51.46 3ehu s ALA -237Cb -0.14 -0.35 -0.07 0.00 0.00 0.00 0.00 23.12 22.55 3ehu s ALA -237CO 0.01 0.12 1.20 -0.51 0.00 0.00 0.00 175.76 176.58 3ehu s LEU -236N 0.33 4.02 0.20 0.00 1.43 -1.26 -4.47 118.68 118.94 3ehu s LEU -236Ca -0.05 2.40 0.01 0.00 -1.03 0.00 0.00 54.13 55.46 3ehu s LEU -236Cb -0.10 -4.20 -0.05 0.00 0.03 0.00 0.00 46.19 41.88 3ehu s LEU -236CO 0.01 -0.98 0.05 -0.44 0.23 0.00 0.00 176.35 175.22 3ehu s SER -235N -1.23 1.01 -0.25 2.29 0.01 -0.52 -4.81 113.70 110.20 3ehu s SER -235Ca 0.63 -1.28 -0.29 0.00 1.31 0.00 0.00 55.95 56.33 3ehu s SER -235Cb -0.31 0.18 0.01 0.00 0.21 0.00 0.00 66.02 66.11 3ehu s SER -235CO 0.38 -0.67 1.04 -0.22 0.41 0.00 0.00 173.24 174.18 3ehu s LEU -234N -3.21 4.06 -0.19 2.44 2.96 0.03 -2.42 118.68 122.35 3ehu s LEU -234Ca 0.31 1.28 -0.08 0.00 -0.22 0.00 0.00 54.13 55.42 3ehu s LEU -234Cb 0.07 -3.52 -0.04 0.00 0.50 0.00 0.00 46.19 43.19 3ehu s LEU -234CO 0.08 -0.71 0.07 -0.63 -1.32 0.00 0.00 176.35 173.84 3ehu s ILE -233N 3.29 4.82 0.06 6.68 1.01 -0.25 -0.52 121.20 136.30 3ehu s ILE -233Ca 0.44 -0.02 0.02 0.00 0.00 0.00 0.00 60.65 61.09 3ehu s ILE -233Cb -0.14 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 39.11 3ehu s ILE -233CO 0.08 0.44 -0.07 -0.72 0.00 0.00 0.00 174.94 174.67 3ehu s TYR -232N 0.50 0.73 -0.41 3.97 1.13 -0.24 -0.54 117.35 122.50 3ehu s TYR -232Ca 0.04 -0.63 -0.21 0.00 -1.41 0.00 0.00 57.07 54.86 3ehu s TYR -232Cb -0.13 -0.44 0.02 0.00 -1.10 0.00 0.00 41.96 40.31 3ehu s TYR -232CO 0.01 -0.11 0.69 1.21 -2.51 0.00 0.00 175.55 174.84 3ehu s ASN -231N -2.02 6.40 0.48 -0.18 3.84 0.69 -0.30 114.94 123.85 3ehu s ASN -231Ca -0.04 -0.06 0.22 0.00 0.21 0.00 0.00 52.86 53.20 3ehu s ASN -231Cb -0.05 -2.34 1.21 0.00 -0.55 0.00 0.00 41.25 39.51 3ehu s ASN -231CO -0.01 -0.74 2.00 0.11 -2.79 0.00 0.00 177.10 175.67 3ehu h LYS -230N 8.72 0.00 -0.09 0.43 1.57 -0.29 -0.56 116.57 126.35 3ehu h LYS -230Ca -0.26 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.33 3ehu h LYS -230Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 3ehu h LYS -230CO 0.89 0.18 -0.77 -0.44 -0.57 0.00 0.00 179.45 178.74 3ehu h ASP -229N 0.00 0.61 0.97 0.86 3.32 -1.93 -2.84 116.42 117.42 3ehu h ASP -229Ca -0.00 -0.41 -0.17 0.00 0.02 0.00 0.00 57.03 56.47 3ehu h ASP -229Cb 0.41 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 3ehu h ASP -229CO 0.02 1.17 -1.10 -0.07 -1.72 0.00 0.00 179.24 177.55 3ehu h LEU -228N 0.34 0.00 -5.80 1.55 3.38 -1.86 -3.43 115.31 109.50 3ehu h LEU -228Ca -0.04 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.51 3ehu h LEU -228Cb 1.36 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.82 3ehu h LEU -228CO 0.14 0.65 -0.79 -0.11 0.09 0.00 0.00 178.44 178.42 3ehu n LEU -227N -3.07 -1.66 0.03 1.67 7.94 -0.24 -5.00 117.00 116.66 3ehu n LEU -227Ca -0.05 -3.81 0.03 0.00 -1.11 0.00 0.00 56.01 51.07 3ehu n LEU -227Cb 0.84 0.64 0.42 0.00 0.53 0.00 0.00 43.42 45.85 3ehu n LEU -227CO 0.43 1.90 1.10 1.55 -1.11 0.00 0.00 177.39 181.26 3ehu h PRO -226N 5.29 0.48 -4.88 1.96 0.13 -1.72 -3.37 132.00 129.88 3ehu h PRO -226Ca 0.17 -0.04 -0.67 0.00 -0.87 0.00 0.00 66.00 64.59 3ehu h PRO -226Cb 0.99 -0.10 -0.37 0.00 0.13 0.00 0.00 31.00 31.65 3ehu h PRO -226CO 0.24 0.37 -0.81 -0.80 -0.23 0.00 0.00 178.00 176.76 3ehu s ASN -225N -6.73 4.11 0.49 1.44 0.01 -1.26 -4.99 114.94 108.01 3ehu s ASN -225Ca -0.08 -1.21 -0.21 0.00 -0.71 0.00 0.00 52.86 50.65 3ehu s ASN -225Cb 0.17 -1.51 -0.07 0.00 0.41 0.00 0.00 41.25 40.25 3ehu s ASN -225CO 0.73 -0.15 1.11 -2.16 -1.51 0.00 0.00 177.10 175.12 3ehu s PRO -224N 1.16 3.65 0.41 -0.60 0.04 -1.26 -4.98 135.00 133.43 3ehu s PRO -224Ca -0.06 1.58 -0.26 0.00 0.04 0.00 0.00 61.00 62.30 3ehu s PRO -224Cb -0.18 -2.18 -0.09 0.00 0.04 0.00 0.00 34.50 32.09 3ehu s PRO -224CO -0.07 -0.60 1.37 -1.25 0.04 0.00 0.00 177.00 176.49 3ehu s PRO -223N -3.04 3.91 0.15 0.56 0.04 -1.26 -4.93 135.00 130.43 3ehu s PRO -223Ca 0.68 2.31 0.24 0.00 0.04 0.00 0.00 61.00 64.26 3ehu s PRO -223Cb -0.23 -2.77 0.27 0.00 0.04 0.00 0.00 34.50 31.81 3ehu s PRO -223CO 0.27 -0.59 1.27 0.87 0.04 0.00 0.00 177.00 178.86 3ehu h LYS -222N 2.65 0.00 -5.57 4.56 1.79 -1.97 -3.43 116.57 114.60 3ehu h LYS -222Ca -0.50 0.00 -0.48 0.00 -2.18 0.00 0.00 60.65 57.49 3ehu h LYS -222Cb 1.25 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 31.66 3ehu h LYS -222CO 0.62 0.00 -0.80 0.95 -1.08 0.00 0.00 179.45 179.14 3ehu s THR -221N -3.21 1.29 0.39 -0.16 -4.23 -1.26 -0.93 115.64 107.53 3ehu s THR -221Ca 0.05 -1.14 0.06 0.00 -1.18 0.00 0.00 61.69 59.48 3ehu s THR -221Cb 0.12 -1.17 0.27 0.00 1.34 0.00 0.00 72.50 73.07 3ehu s THR -221CO 0.73 0.01 2.03 -0.50 -0.54 0.00 0.00 174.62 176.35 3ehu h TRP -220N 4.74 0.61 -0.03 3.99 4.06 -1.08 -3.12 115.95 125.13 3ehu h TRP -220Ca -0.40 0.01 0.01 0.00 2.06 0.00 0.00 58.89 60.57 3ehu h TRP -220Cb 1.18 -0.21 -0.00 0.00 -1.00 0.00 0.00 29.16 29.13 3ehu h TRP -220CO 0.55 0.37 0.03 0.93 -3.56 0.00 0.00 178.44 176.75 3ehu h GLU -219N 0.65 0.00 -0.01 0.49 3.07 -1.96 -1.88 114.58 114.94 3ehu h GLU -219Ca 0.21 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.07 3ehu h GLU -219Cb 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 3ehu h GLU -219CO -0.05 0.00 -0.16 -0.85 -1.40 0.00 0.00 179.01 176.55 3ehu n GLU -218N -4.02 0.90 -0.19 2.33 0.28 -1.18 -4.29 120.64 114.47 3ehu n GLU -218Ca -0.02 -0.45 -0.10 0.00 -0.16 0.00 0.00 57.16 56.43 3ehu n GLU -218Cb 0.11 -1.49 0.01 0.00 1.43 0.00 0.00 31.44 31.51 3ehu n GLU -218CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 3ehu h ILE -217N 1.09 1.27 -0.37 3.84 2.04 -1.50 -2.36 117.51 121.53 3ehu h ILE -217Ca 0.00 -1.22 0.03 0.00 1.00 0.00 0.00 64.86 64.67 3ehu h ILE -217Cb 0.43 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 3ehu h ILE -217CO 0.00 0.44 0.16 -0.65 0.00 0.00 0.00 178.15 178.10 3ehu h PRO -216N 0.91 0.33 -0.61 2.37 0.11 -1.78 0.46 132.00 133.80 3ehu h PRO -216Ca 0.15 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3ehu h PRO -216Cb 0.64 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.64 3ehu h PRO -216CO 0.04 0.22 0.39 0.00 -0.21 0.00 0.00 178.00 178.44 3ehu h ALA -215N 1.21 0.77 -0.81 -0.75 0.00 -1.83 -2.25 119.26 115.60 3ehu h ALA -215Ca 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3ehu h ALA -215Cb 0.09 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3ehu h ALA -215CO -0.13 0.22 0.51 1.25 0.00 0.00 0.00 179.25 181.10 3ehu h LEU -214N 0.82 0.94 -0.94 0.00 5.85 -1.12 -2.21 115.31 118.66 3ehu h LEU -214Ca 0.22 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 3ehu h LEU -214Cb -0.07 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.68 3ehu h LEU -214CO -0.05 0.71 0.45 -0.78 -0.34 0.00 0.00 178.44 178.43 3ehu h ASP -213N 1.10 1.08 -0.24 1.25 3.58 -0.72 -1.02 116.42 121.44 3ehu h ASP -213Ca 0.29 -0.10 0.02 0.00 0.42 0.00 0.00 57.03 57.66 3ehu h ASP -213Cb -0.09 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 40.67 3ehu h ASP -213CO -0.06 0.88 0.11 0.50 -2.88 0.00 0.00 179.24 177.79 3ehu h LYS -212N 1.20 0.23 -0.47 0.28 3.64 -0.90 0.19 116.57 120.74 3ehu h LYS -212Ca 0.30 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 3ehu h LYS -212Cb 0.05 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 3ehu h LYS -212CO -0.05 0.15 0.24 0.93 -2.27 0.00 0.00 179.45 178.46 3ehu h GLU -211N 0.24 0.67 -0.41 1.90 5.08 -1.08 -3.02 114.58 117.95 3ehu h GLU -211Ca 0.10 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 3ehu h GLU -211Cb 0.04 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3ehu h GLU -211CO -0.08 0.55 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.34 3ehu h LEU -210N 0.62 0.68 -1.23 1.33 3.38 -0.86 -3.00 115.31 116.24 3ehu h LEU -210Ca 0.16 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3ehu h LEU -210Cb 0.09 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3ehu h LEU -210CO -0.02 0.79 0.20 0.11 0.09 0.00 0.00 178.44 179.61 3ehu h LYS -209N 0.65 0.74 0.00 1.13 1.79 -0.41 0.49 116.57 120.96 3ehu h LYS -209Ca 0.12 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 3ehu h LYS -209Cb 0.50 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 3ehu h LYS -209CO 0.03 0.61 0.00 0.00 -1.08 0.00 0.00 179.45 179.01 3ehu h ALA -208N 1.49 1.00 -0.42 3.86 0.00 -1.41 -0.46 119.26 123.33 3ehu h ALA -208Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3ehu h ALA -208Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3ehu h ALA -208CO -0.02 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.86 3ehu n LYS -207N -2.98 2.60 -2.50 0.00 5.02 -0.59 -4.98 118.16 114.73 3ehu n LYS -207Ca -0.02 -2.16 -0.09 0.00 -2.02 0.00 0.00 58.31 54.02 3ehu n LYS -207Cb 0.09 -1.37 0.01 0.00 -0.02 0.00 0.00 35.03 33.75 3ehu n LYS -207CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ehu n GLY -206N 0.92 0.16 3.59 0.72 0.00 -0.18 -5.03 105.19 105.37 3ehu n GLY -206Ca 0.15 -0.43 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 3ehu n GLY -206CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ehu s LYS -205N -4.91 2.02 0.09 1.61 -0.14 0.06 -4.98 119.74 113.50 3ehu s LYS -205Ca 0.10 -2.25 0.02 0.00 -1.36 0.00 0.00 55.97 52.48 3ehu s LYS -205Cb -0.05 -0.87 -0.04 0.00 -1.68 0.00 0.00 37.83 35.20 3ehu s LYS -205CO 0.13 -0.46 -0.07 -1.54 -0.76 0.00 0.00 175.35 172.65 3ehu s SER -204N -3.69 1.18 0.03 2.83 1.04 -0.80 -2.67 113.70 111.62 3ehu s SER -204Ca 0.18 -0.91 -0.20 0.00 0.48 0.00 0.00 55.95 55.50 3ehu s SER -204Cb 0.02 0.07 -0.17 0.00 0.10 0.00 0.00 66.02 66.03 3ehu s SER -204CO 0.11 -0.39 1.24 0.00 0.98 0.00 0.00 173.24 175.18 3ehu h ALA -203N 3.26 0.18 -2.52 5.32 0.00 -1.85 -0.93 119.26 122.73 3ehu h ALA -203Ca -0.36 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.03 3ehu h ALA -203Cb 1.18 -0.02 -0.26 0.00 0.00 0.00 0.00 17.79 18.69 3ehu h ALA -203CO 0.60 0.24 -0.27 -1.17 0.00 0.00 0.00 179.25 178.65 3ehu s LEU -202N -8.75 -0.36 -0.04 0.00 2.96 -1.26 -1.13 118.68 110.11 3ehu s LEU -202Ca -0.14 1.01 0.00 0.00 -0.22 0.00 0.00 54.13 54.79 3ehu s LEU -202Cb 0.05 1.51 0.03 0.00 0.50 0.00 0.00 46.19 48.27 3ehu s LEU -202CO 0.79 -0.21 -0.01 -0.04 -1.32 0.00 0.00 176.35 175.56 3ehu s MET -201N 1.75 0.43 0.17 1.98 -1.94 -0.78 -4.79 119.30 116.12 3ehu s MET -201Ca -0.08 0.04 -0.09 0.00 -1.71 0.00 0.00 55.69 53.85 3ehu s MET -201Cb -0.09 -0.59 -0.01 0.00 2.01 0.00 0.00 34.83 36.15 3ehu s MET -201CO -0.14 -0.14 0.31 -0.59 -0.01 0.00 0.00 175.02 174.45 3ehu s PHE -200N 1.07 0.39 -0.42 -0.03 -0.71 -1.26 -4.22 117.98 112.81 3ehu s PHE -200Ca -0.09 -0.75 -0.27 0.00 -1.04 0.00 0.00 56.93 54.78 3ehu s PHE -200Cb -0.14 -0.03 -0.05 0.00 -1.21 0.00 0.00 43.02 41.60 3ehu s PHE -200CO -0.01 -0.75 2.19 1.21 -1.34 0.00 0.00 175.22 176.51 3ehu s ASN -199N -2.97 5.01 0.00 1.98 3.84 -1.26 -4.68 114.94 116.86 3ehu s ASN -199Ca 0.18 1.19 0.28 0.00 0.21 0.00 0.00 52.86 54.72 3ehu s ASN -199Cb 0.03 -2.51 1.07 0.00 -0.55 0.00 0.00 41.25 39.29 3ehu s ASN -199CO 0.01 -2.42 1.79 0.18 -2.79 0.00 0.00 177.10 173.87 3ehu n LEU -198N 13.63 0.26 0.14 3.21 4.77 -0.76 -3.98 117.00 134.27 3ehu n LEU -198Ca 0.30 0.22 0.12 0.00 -0.03 0.00 0.00 56.01 56.62 3ehu n LEU -198Cb 0.51 -0.33 0.13 0.00 -2.33 0.00 0.00 43.42 41.40 3ehu n LEU -198CO 0.69 0.06 0.43 1.56 -1.33 0.00 0.00 177.39 178.80 3ehu h GLN -197N 0.17 0.00 -5.08 3.23 1.08 -1.88 -3.44 115.11 109.19 3ehu h GLN -197Ca 0.00 0.00 -0.66 0.00 -1.45 0.00 0.00 58.65 56.54 3ehu h GLN -197Cb 0.44 0.00 -0.28 0.00 -0.05 0.00 0.00 27.48 27.59 3ehu h GLN -197CO 0.00 0.00 -0.75 -1.21 -0.95 0.00 0.00 178.83 175.92 3ehu s GLU -196N -3.25 3.33 0.27 1.46 0.41 -1.26 -4.99 118.70 114.68 3ehu s GLU -196Ca 0.04 -0.66 0.21 0.00 -0.41 0.00 0.00 54.97 54.15 3ehu s GLU -196Cb 0.09 -2.87 1.03 0.00 -1.78 0.00 0.00 34.13 30.60 3ehu s GLU -196CO 0.72 -0.11 1.63 -0.35 -0.49 0.00 0.00 175.26 176.66 3ehu n PRO -195N 4.49 0.15 -0.07 0.39 -0.04 -1.26 -2.36 135.00 136.30 3ehu n PRO -195Ca -0.19 0.55 0.10 0.00 -0.04 0.00 0.00 63.50 63.93 3ehu n PRO -195Cb 0.51 -1.89 0.48 0.00 -0.04 0.00 0.00 33.50 32.56 3ehu n PRO -195CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 3ehu h TYR -194N 0.00 0.46 0.00 0.54 3.20 -1.94 -1.24 116.97 117.98 3ehu h TYR -194Ca 0.00 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.73 3ehu h TYR -194Cb 0.12 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 3ehu h TYR -194CO 0.00 0.23 -1.01 0.74 -1.64 0.00 0.00 178.16 176.49 3ehu h PHE -193N 0.44 0.00 0.00 -3.82 0.04 -1.72 -3.34 116.94 108.55 3ehu h PHE -193Ca 0.25 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.02 3ehu h PHE -193Cb 0.41 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.56 3ehu h PHE -193CO -0.00 0.60 -1.55 0.25 -0.60 0.00 0.00 178.31 177.00 3ehu n THR -192N -3.07 0.27 -0.26 -1.55 -2.24 -1.05 -4.41 114.28 101.96 3ehu n THR -192Ca -0.04 -0.52 0.06 0.00 -2.27 0.00 0.00 64.05 61.28 3ehu n THR -192Cb 0.81 -0.14 0.20 0.00 -2.10 0.00 0.00 70.33 69.10 3ehu n THR -192CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 3ehu h TRP -191N 0.00 0.53 -0.99 4.78 2.91 -1.35 -1.75 115.95 120.08 3ehu h TRP -191Ca 0.00 0.04 0.20 0.00 1.13 0.00 0.00 58.89 60.26 3ehu h TRP -191Cb 0.99 -0.12 -0.10 0.00 -0.51 0.00 0.00 29.16 29.43 3ehu h TRP -191CO 0.00 0.05 0.62 -1.35 -1.03 0.00 0.00 178.44 176.73 3ehu h PRO -190N 0.44 0.63 0.09 2.65 0.11 -1.77 0.30 132.00 134.45 3ehu h PRO -190Ca 0.43 -0.04 -0.29 0.00 0.11 0.00 0.00 66.00 66.22 3ehu h PRO -190Cb 0.67 -0.14 0.03 0.00 0.11 0.00 0.00 31.00 31.66 3ehu h PRO -190CO -0.42 0.42 -1.18 1.25 -0.21 0.00 0.00 178.00 177.87 3ehu h LEU -189N 0.65 0.88 -0.82 2.35 5.85 -1.64 -2.23 115.31 120.35 3ehu h LEU -189Ca 0.56 -0.80 0.01 0.00 0.84 0.00 0.00 57.88 58.49 3ehu h LEU -189Cb 1.02 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 3ehu h LEU -189CO -0.33 1.59 0.55 0.40 -0.34 0.00 0.00 178.44 180.30 3ehu h ILE -188N 0.29 1.21 0.00 4.05 2.04 -0.55 -2.93 117.51 121.61 3ehu h ILE -188Ca -0.17 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 3ehu h ILE -188Cb 1.85 -0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.92 3ehu h ILE -188CO 0.23 0.20 -0.07 0.00 0.00 0.00 0.00 178.15 178.51 3ehu h ALA -187N 1.30 0.97 -0.15 1.87 0.00 -0.54 -3.14 119.26 119.56 3ehu h ALA -187Ca 0.30 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.19 3ehu h ALA -187Cb -0.13 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 3ehu h ALA -187CO -0.07 0.09 -0.21 0.00 0.00 0.00 0.00 179.25 179.07 3ehu h ALA -186N 1.93 -0.14 -0.45 0.00 0.00 -1.28 -2.20 119.26 117.12 3ehu h ALA -186Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ehu h ALA -186Cb 0.87 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3ehu h ALA -186CO 0.01 -0.66 0.00 -3.47 0.00 0.00 0.00 179.25 175.13 3ehu n ASP -185N -5.35 2.58 0.00 0.00 2.03 -1.26 -4.70 116.55 109.85 3ehu n ASP -185Ca -0.02 -2.05 0.00 0.00 0.52 0.00 0.00 54.79 53.24 3ehu n ASP -185Cb 0.26 -0.33 0.00 0.00 -0.72 0.00 0.00 41.12 40.33 3ehu n ASP -185CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3ehu n GLY -184N 1.16 0.29 3.75 0.27 0.00 -0.83 -4.06 105.19 105.76 3ehu n GLY -184Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 3ehu n GLY -184CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ehu s GLY -183N -0.06 2.89 0.16 -0.02 0.00 -1.19 -4.73 107.32 104.36 3ehu s GLY -183Ca 0.00 1.34 -0.12 0.00 0.00 0.00 0.00 44.72 45.94 3ehu s GLY -183CO 0.00 1.85 0.34 -2.52 0.00 0.00 0.00 173.10 172.77 3ehu s TYR -182N -1.30 0.17 0.00 1.90 -0.85 -0.75 -4.48 117.35 112.04 3ehu s TYR -182Ca 0.73 -0.54 0.00 0.00 -0.52 0.00 0.00 57.07 56.74 3ehu s TYR -182Cb -0.41 0.08 0.00 0.00 0.38 0.00 0.00 41.96 42.02 3ehu s TYR -182CO 0.47 -0.74 0.00 0.00 -1.52 0.00 0.00 175.55 173.77 3ehu n ALA -181N -0.22 0.00 -2.43 9.51 0.00 -1.26 -1.88 120.51 124.23 3ehu n ALA -181Ca -0.10 -0.01 -0.27 0.00 0.00 0.00 0.00 53.44 53.06 3ehu n ALA -181Cb 0.63 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.93 3ehu n ALA -181CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3ehu s PHE -180N -0.11 1.88 0.14 0.00 0.08 -1.26 -2.47 117.98 116.25 3ehu s PHE -180Ca 0.00 -0.36 -0.29 0.00 0.12 0.00 0.00 56.93 56.40 3ehu s PHE -180Cb 0.00 -1.19 -0.07 0.00 -0.57 0.00 0.00 43.02 41.19 3ehu s PHE -180CO 0.00 -0.01 0.90 0.21 -0.10 0.00 0.00 175.22 176.23 3ehu s LYS -179N -0.64 4.69 -0.59 0.44 2.20 -0.92 -4.80 119.74 120.13 3ehu s LYS -179Ca 0.08 1.37 -0.26 0.00 -0.36 0.00 0.00 55.97 56.80 3ehu s LYS -179Cb -0.08 -3.34 0.04 0.00 -1.51 0.00 0.00 37.83 32.94 3ehu s LYS -179CO -0.00 0.34 1.08 -0.47 -0.36 0.00 0.00 175.35 175.94 3ehu s TYR -178N -0.43 2.66 -0.04 4.03 5.04 -1.26 -0.18 117.35 127.17 3ehu s TYR -178Ca 0.43 0.12 0.03 0.00 -2.44 0.00 0.00 57.07 55.21 3ehu s TYR -178Cb -0.23 -4.32 0.00 0.00 0.35 0.00 0.00 41.96 37.75 3ehu s TYR -178CO 0.29 -1.54 -0.12 -1.21 -1.34 0.00 0.00 175.55 171.63 3ehu s GLU -177N 4.55 1.34 -1.42 4.97 0.41 0.54 -4.82 118.70 124.27 3ehu s GLU -177Ca 0.35 -0.41 -0.01 0.00 -0.41 0.00 0.00 54.97 54.49 3ehu s GLU -177Cb -0.10 -1.19 0.00 0.00 -1.78 0.00 0.00 34.13 31.06 3ehu s GLU -177CO 0.21 0.14 0.35 0.09 -0.49 0.00 0.00 175.26 175.56 3ehu n ASN -176N 3.35 -0.19 -0.54 -0.19 5.03 -1.26 -2.02 115.26 119.44 3ehu n ASN -176Ca -0.19 -1.06 -0.07 0.00 0.87 0.00 0.00 54.58 54.13 3ehu n ASN -176Cb 0.53 -2.80 -0.03 0.00 -1.02 0.00 0.00 39.78 36.47 3ehu n ASN -176CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ehu n GLY -175N -2.09 0.88 3.48 7.41 0.00 -1.26 -4.97 105.19 108.64 3ehu n GLY -175Ca -0.31 -0.36 -0.16 0.00 0.00 0.00 0.00 46.02 45.19 3ehu n GLY -175CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ehu s LYS -174N -2.26 1.13 0.04 1.61 -2.85 -0.85 -5.14 119.74 111.42 3ehu s LYS -174Ca 0.00 -0.03 -0.30 0.00 -1.00 0.00 0.00 55.97 54.64 3ehu s LYS -174Cb 0.00 0.53 -0.07 0.00 -2.06 0.00 0.00 37.83 36.22 3ehu s LYS -174CO 0.00 -0.41 1.60 0.71 0.10 0.00 0.00 175.35 177.35 3ehu s TYR -173N -2.15 2.46 -0.62 1.78 2.02 -1.26 -0.34 117.35 119.23 3ehu s TYR -173Ca -0.07 0.41 -0.25 0.00 -0.37 0.00 0.00 57.07 56.80 3ehu s TYR -173Cb -0.00 -3.89 0.04 0.00 -0.40 0.00 0.00 41.96 37.71 3ehu s TYR -173CO 0.01 -3.56 1.05 0.34 -1.57 0.00 0.00 175.55 171.83 3ehu s ASP -172N 2.41 6.28 0.08 2.29 -1.08 0.75 -4.90 116.67 122.49 3ehu s ASP -172Ca 0.72 -0.47 0.17 0.00 -0.52 0.00 0.00 52.55 52.45 3ehu s ASP -172Cb -0.37 -2.47 0.72 0.00 -1.46 0.00 0.00 42.92 39.34 3ehu s ASP -172CO 0.31 -1.44 1.53 2.30 0.52 0.00 0.00 175.17 178.39 3ehu n ILE -171N 6.23 0.96 0.21 4.11 -5.35 -1.26 -1.50 119.36 122.76 3ehu n ILE -171Ca 0.02 0.25 0.12 0.00 -0.27 0.00 0.00 62.75 62.86 3ehu n ILE -171Cb 0.47 -1.05 0.02 0.00 -1.74 0.00 0.00 39.64 37.35 3ehu n ILE -171CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3ehu n LYS -170N -1.72 0.53 -3.29 6.28 5.02 -1.26 -4.69 118.16 119.03 3ehu n LYS -170Ca 0.03 0.10 -0.47 0.00 -2.02 0.00 0.00 58.31 55.95 3ehu n LYS -170Cb 0.19 -1.78 -0.02 0.00 -0.02 0.00 0.00 35.03 33.39 3ehu n LYS -170CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3ehu s ASP -169N -5.05 6.73 -0.11 4.39 -1.08 -0.56 -5.03 116.67 115.96 3ehu s ASP -169Ca 0.01 -2.61 -0.05 0.00 -0.52 0.00 0.00 52.55 49.38 3ehu s ASP -169Cb 0.11 -2.23 -0.04 0.00 -1.46 0.00 0.00 42.92 39.30 3ehu s ASP -169CO 0.78 -0.62 0.06 -0.69 0.52 0.00 0.00 175.17 175.22 3ehu s VAL -168N 0.42 4.81 -0.26 1.11 1.01 -1.26 -2.15 120.40 124.08 3ehu s VAL -168Ca 0.19 -0.05 0.10 0.00 0.00 0.00 0.00 61.98 62.21 3ehu s VAL -168Cb -0.10 -3.07 0.47 0.00 0.00 0.00 0.00 36.38 33.68 3ehu s VAL -168CO -0.09 0.59 1.38 0.61 0.00 0.00 0.00 175.10 177.59 3ehu n GLY -167N 2.29 4.96 0.19 4.51 0.00 -0.79 -4.66 105.19 111.69 3ehu n GLY -167Ca -0.19 -1.25 0.14 0.00 0.00 0.00 0.00 46.02 44.72 3ehu n GLY -167CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3ehu n VAL -166N -1.11 0.00 -2.17 1.61 0.24 -1.17 -1.80 118.33 113.92 3ehu n VAL -166Ca 0.28 -0.10 0.03 0.00 -2.04 0.00 0.00 64.34 62.51 3ehu n VAL -166Cb 0.91 0.12 0.09 0.00 -1.47 0.00 0.00 33.84 33.49 3ehu n VAL -166CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3ehu n ASP -165N -0.75 1.49 -5.01 -1.34 2.03 -1.26 -4.72 116.55 107.00 3ehu n ASP -165Ca 0.14 -2.78 -0.20 0.00 0.52 0.00 0.00 54.79 52.47 3ehu n ASP -165Cb 0.30 -0.40 0.06 0.00 -0.72 0.00 0.00 41.12 40.37 3ehu n ASP -165CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3ehu s ASN -164N -2.66 5.07 0.19 1.67 2.20 -1.26 -4.89 114.94 115.26 3ehu s ASN -164Ca 0.36 -0.80 -0.13 0.00 -0.94 0.00 0.00 52.86 51.35 3ehu s ASN -164Cb 0.38 0.25 0.21 0.00 -2.00 0.00 0.00 41.25 40.08 3ehu s ASN -164CO -0.11 -1.36 1.69 0.00 -2.94 0.00 0.00 177.10 174.37 3ehu h ALA -163N 0.14 0.52 -0.50 3.54 0.00 -1.94 -0.76 119.26 120.26 3ehu h ALA -163Ca -0.31 0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 3ehu h ALA -163Cb 1.29 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 3ehu h ALA -163CO 0.41 -0.37 0.02 0.78 0.00 0.00 0.00 179.25 180.09 3ehu h GLY -162N 0.15 0.88 0.96 0.00 0.00 -1.87 0.14 103.07 103.33 3ehu h GLY -162Ca 0.26 -0.58 -0.09 0.00 0.00 0.00 0.00 47.33 46.92 3ehu h GLY -162CO -0.41 0.54 -0.15 0.00 0.00 0.00 0.00 176.54 176.52 3ehu h ALA -161N 1.25 0.48 -0.57 3.60 0.00 -1.55 -1.78 119.26 120.69 3ehu h ALA -161Ca 0.15 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3ehu h ALA -161Cb 0.44 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3ehu h ALA -161CO 0.02 0.39 0.37 0.87 0.00 0.00 0.00 179.25 180.90 3ehu h LYS -160N 0.49 0.75 -0.21 0.00 1.57 -0.80 -1.77 116.57 116.61 3ehu h LYS -160Ca 0.08 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3ehu h LYS -160Cb 0.69 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 3ehu h LYS -160CO 0.05 0.51 0.06 0.00 -0.57 0.00 0.00 179.45 179.51 3ehu h ALA -159N 1.20 0.27 -0.36 3.86 0.00 -0.67 -0.58 119.26 122.97 3ehu h ALA -159Ca 0.21 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3ehu h ALA -159Cb -0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3ehu h ALA -159CO -0.04 -0.10 0.22 0.78 0.00 0.00 0.00 179.25 180.11 3ehu h GLY -158N 0.16 0.51 1.59 0.00 0.00 -1.19 -1.50 103.07 102.63 3ehu h GLY -158Ca 0.07 -0.17 -0.16 0.00 0.00 0.00 0.00 47.33 47.06 3ehu h GLY -158CO -0.00 0.16 -0.62 -2.00 0.00 0.00 0.00 176.54 174.07 3ehu h LEU -157N 0.46 0.48 -0.74 3.11 5.85 -1.30 -2.58 115.31 120.60 3ehu h LEU -157Ca 0.14 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.59 3ehu h LEU -157Cb -0.02 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 3ehu h LEU -157CO -0.05 0.99 0.48 0.74 -0.34 0.00 0.00 178.44 180.26 3ehu h THR -156N 0.31 1.17 -0.54 1.05 2.02 -0.95 -1.14 112.91 114.83 3ehu h THR -156Ca -0.01 -0.34 0.03 0.00 0.77 0.00 0.00 66.41 66.87 3ehu h THR -156Cb 1.17 0.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 3ehu h THR -156CO 0.11 0.18 0.31 0.15 0.37 0.00 0.00 175.52 176.64 3ehu h PHE -155N 0.98 0.58 -0.40 3.16 3.57 -1.04 -0.95 116.94 122.83 3ehu h PHE -155Ca 0.28 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.77 3ehu h PHE -155Cb -0.09 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.45 3ehu h PHE -155CO -0.02 0.31 0.16 1.25 -2.23 0.00 0.00 178.31 177.78 3ehu h LEU -154N 0.61 0.55 -0.72 0.59 5.85 -1.07 -0.91 115.31 120.21 3ehu h LEU -154Ca 0.23 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 3ehu h LEU -154Cb 0.07 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3ehu h LEU -154CO -0.12 0.56 0.37 0.58 -0.34 0.00 0.00 178.44 179.50 3ehu h VAL -153N 0.50 1.23 -0.54 1.05 2.07 -1.04 -2.54 116.25 116.98 3ehu h VAL -153Ca 0.13 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 3ehu h VAL -153Cb 0.19 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 3ehu h VAL -153CO -0.01 0.26 0.30 0.44 0.02 0.00 0.00 177.57 178.57 3ehu h ASP -152N 0.99 0.68 -1.00 0.57 5.19 -0.92 0.30 116.42 122.24 3ehu h ASP -152Ca 0.25 -0.09 0.19 0.00 -0.62 0.00 0.00 57.03 56.76 3ehu h ASP -152Cb 0.07 -0.17 -0.10 0.00 0.18 0.00 0.00 39.33 39.31 3ehu h ASP -152CO -0.04 0.57 0.61 -0.07 -3.12 0.00 0.00 179.24 177.20 3ehu h LEU -151N 0.73 0.77 0.02 1.55 3.38 -0.93 -0.73 115.31 120.11 3ehu h LEU -151Ca 0.19 0.09 -0.11 0.00 0.09 0.00 0.00 57.88 58.14 3ehu h LEU -151Cb 0.05 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.76 3ehu h LEU -151CO -0.03 0.28 -0.44 0.40 0.09 0.00 0.00 178.44 178.73 3ehu h ILE -150N 0.75 1.51 -0.95 1.22 2.04 -0.92 0.22 117.51 121.39 3ehu h ILE -150Ca 0.57 -2.10 0.11 0.00 1.00 0.00 0.00 64.86 64.45 3ehu h ILE -150Cb 0.90 2.80 -0.07 0.00 -0.74 0.00 0.00 36.82 39.71 3ehu h ILE -150CO -0.37 0.59 0.61 0.11 0.00 0.00 0.00 178.15 179.09 3ehu h LYS -149N -0.36 0.89 -0.63 2.37 1.57 -0.14 -0.55 116.57 119.72 3ehu h LYS -149Ca -0.06 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3ehu h LYS -149Cb 1.21 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.32 3ehu h LYS -149CO 0.09 0.59 0.00 0.09 -0.57 0.00 0.00 179.45 179.65 3ehu n ASN -148N -4.57 2.99 -3.21 0.86 5.03 -0.30 -4.93 115.26 111.13 3ehu n ASN -148Ca 0.17 -2.31 -0.23 0.00 0.87 0.00 0.00 54.58 53.08 3ehu n ASN -148Cb 0.35 -0.47 0.03 0.00 -1.02 0.00 0.00 39.78 38.67 3ehu n ASN -148CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3ehu n LYS -147N 0.46 -4.87 0.05 3.52 4.76 -0.21 -4.87 118.16 117.00 3ehu n LYS -147Ca 0.14 0.78 0.11 0.00 -2.87 0.00 0.00 58.31 56.48 3ehu n LYS -147Cb 0.60 -5.63 -0.03 0.00 -1.84 0.00 0.00 35.03 28.13 3ehu n LYS -147CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3ehu n HIS -146N -4.44 0.54 -3.90 2.13 8.25 0.77 -4.95 115.22 113.61 3ehu n HIS -146Ca -0.07 0.16 -0.09 0.00 -0.26 0.00 0.00 57.72 57.46 3ehu n HIS -146Cb 0.59 -0.70 -0.08 0.00 1.12 0.00 0.00 29.99 30.93 3ehu n HIS -146CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3ehu s MET -145N -3.35 0.77 -0.16 -0.41 -1.94 -1.08 -4.70 119.30 108.44 3ehu s MET -145Ca -0.01 -0.96 -0.04 0.00 -1.71 0.00 0.00 55.69 52.97 3ehu s MET -145Cb 0.12 0.31 -0.03 0.00 2.01 0.00 0.00 34.83 37.24 3ehu s MET -145CO 0.82 -0.22 -0.03 1.21 -0.01 0.00 0.00 175.02 176.78 3ehu s ASN -144N -2.76 4.78 0.53 3.03 2.47 -1.26 -4.33 114.94 117.41 3ehu s ASN -144Ca 0.04 -0.15 0.27 0.00 0.42 0.00 0.00 52.86 53.44 3ehu s ASN -144Cb 0.05 -1.79 1.41 0.00 -1.45 0.00 0.00 41.25 39.47 3ehu s ASN -144CO -0.10 0.15 1.97 0.00 -3.72 0.00 0.00 177.10 175.40 3ehu h ALA -143N 6.86 2.58 -0.01 1.71 0.00 -1.93 -2.30 119.26 126.16 3ehu h ALA -143Ca -0.32 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3ehu h ALA -143Cb 1.19 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3ehu h ALA -143CO 0.62 -0.76 0.00 -0.25 0.00 0.00 0.00 179.25 178.86 3ehu n ASP -142N -4.35 0.83 -4.68 0.00 8.00 -1.26 -4.83 116.55 110.26 3ehu n ASP -142Ca 0.12 -1.30 -0.42 0.00 0.71 0.00 0.00 54.79 53.90 3ehu n ASP -142Cb 0.70 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.77 3ehu n ASP -142CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3ehu s THR -141N -1.99 2.75 0.00 -3.53 2.01 -0.87 -4.98 115.64 109.03 3ehu s THR -141Ca 0.42 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.46 3ehu s THR -141Cb 0.21 -3.03 0.00 0.00 0.01 0.00 0.00 72.50 69.69 3ehu s THR -141CO 0.34 -0.00 0.00 -0.90 -0.69 0.00 0.00 174.62 173.37 3ehu n ASP -140N 6.50 1.34 -0.37 3.53 5.75 -1.26 -1.83 116.55 130.21 3ehu n ASP -140Ca 0.19 -0.65 -0.02 0.00 -0.01 0.00 0.00 54.79 54.30 3ehu n ASP -140Cb 0.39 0.00 0.11 0.00 -1.03 0.00 0.00 41.12 40.60 3ehu n ASP -140CO 0.00 0.00 0.00 0.10 -0.11 0.00 0.00 177.20 177.19 3ehu h TYR -139N 0.44 1.26 0.17 2.11 -0.00 -1.93 -2.85 116.97 116.17 3ehu h TYR -139Ca 0.00 0.02 -0.34 0.00 0.00 0.00 0.00 58.73 58.41 3ehu h TYR -139Cb 0.00 -0.42 0.01 0.00 0.00 0.00 0.00 36.73 36.32 3ehu h TYR -139CO 0.00 0.80 -1.69 1.03 -0.00 0.00 0.00 178.16 178.30 3ehu h SER -138N 1.34 0.57 -0.21 0.10 0.87 -1.98 -1.45 113.55 112.78 3ehu h SER -138Ca 0.36 -0.83 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 3ehu h SER -138Cb -0.13 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.64 3ehu h SER -138CO -0.07 1.70 0.14 0.40 -0.53 0.00 0.00 176.83 178.46 3ehu h ILE -137N 0.10 1.05 0.17 2.23 2.04 -1.96 -1.70 117.51 119.44 3ehu h ILE -137Ca -0.32 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 3ehu h ILE -137Cb 2.08 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.91 3ehu h ILE -137CO 0.18 0.05 -0.08 0.00 0.00 0.00 0.00 178.15 178.30 3ehu h ALA -136N 1.08 -0.23 -0.53 1.87 0.00 -1.53 0.13 119.26 120.06 3ehu h ALA -136Ca 0.08 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.92 3ehu h ALA -136Cb -0.03 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3ehu h ALA -136CO -0.02 -0.56 0.30 1.49 0.00 0.00 0.00 179.25 180.46 3ehu h GLU -135N -0.36 0.56 -0.41 0.00 4.81 -1.27 -0.34 114.58 117.57 3ehu h GLU -135Ca -0.02 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 3ehu h GLU -135Cb 0.28 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 3ehu h GLU -135CO 0.04 0.37 0.05 0.00 -0.73 0.00 0.00 179.01 178.75 3ehu h ALA -134N 1.26 0.55 -0.27 2.92 0.00 -1.29 -1.20 119.26 121.23 3ehu h ALA -134Ca 0.22 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3ehu h ALA -134Cb 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3ehu h ALA -134CO -0.12 0.28 0.16 0.00 0.00 0.00 0.00 179.25 179.56 3ehu h ALA -133N 0.92 0.33 -0.40 0.00 0.00 -0.62 0.25 119.26 119.75 3ehu h ALA -133Ca 0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3ehu h ALA -133Cb 0.39 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3ehu h ALA -133CO 0.01 -0.22 0.13 0.35 0.00 0.00 0.00 179.25 179.51 3ehu h PHE -132N 0.32 0.64 0.00 0.00 3.04 -1.01 -1.29 116.94 118.64 3ehu h PHE -132Ca 0.10 -0.06 -0.02 0.00 3.98 0.00 0.00 57.97 61.97 3ehu h PHE -132Cb -0.00 -0.18 -0.00 0.00 2.56 0.00 0.00 35.95 38.32 3ehu h PHE -132CO -0.08 0.59 -0.10 -0.91 -2.02 0.00 0.00 178.31 175.79 3ehu h ASN -131N 0.50 0.00 0.02 0.41 2.35 -0.95 -2.22 115.58 115.68 3ehu h ASN -131Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3ehu h ASN -131Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.62 3ehu h ASN -131CO -0.00 0.10 -0.01 0.29 -1.65 0.00 0.00 177.43 176.16 3ehu n LYS -130N -3.17 1.29 -1.25 0.81 5.02 0.05 -4.73 118.16 116.18 3ehu n LYS -130Ca 0.02 -0.46 0.00 0.00 -2.02 0.00 0.00 58.31 55.85 3ehu n LYS -130Cb 0.47 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 3ehu n LYS -130CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ehu n GLY -129N 1.10 0.39 0.08 0.72 0.00 -0.83 -4.96 105.19 101.70 3ehu n GLY -129Ca 0.21 -1.02 -0.02 0.00 0.00 0.00 0.00 46.02 45.19 3ehu n GLY -129CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ehu n GLU -128N -2.43 0.64 -4.62 1.61 1.02 -0.49 -4.91 120.64 111.45 3ehu n GLU -128Ca 0.00 0.14 -0.24 0.00 -0.02 0.00 0.00 57.16 57.04 3ehu n GLU -128Cb 0.14 -1.71 -0.14 0.00 -0.02 0.00 0.00 31.44 29.70 3ehu n GLU -128CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 3ehu s THR -127N -2.84 1.47 -0.50 2.62 -1.32 -1.19 -1.90 115.64 111.98 3ehu s THR -127Ca -0.05 -1.05 0.24 0.00 -1.21 0.00 0.00 61.69 59.62 3ehu s THR -127Cb 0.09 -1.28 0.24 0.00 -1.51 0.00 0.00 72.50 70.04 3ehu s THR -127CO 0.83 0.20 1.53 0.00 -2.21 0.00 0.00 174.62 174.97 3ehu h ALA -126N 5.08 0.87 -2.72 11.08 0.00 -1.04 -3.43 119.26 129.10 3ehu h ALA -126Ca -0.40 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.37 3ehu h ALA -126Cb 1.16 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.74 3ehu h ALA -126CO 0.45 0.00 -0.41 -1.64 0.00 0.00 0.00 179.25 177.65 3ehu s MET -125N -3.20 0.52 0.25 0.00 -1.94 -0.28 -0.22 119.30 114.42 3ehu s MET -125Ca 0.07 -0.24 -0.04 0.00 -1.71 0.00 0.00 55.69 53.77 3ehu s MET -125Cb 0.09 0.22 -0.02 0.00 2.01 0.00 0.00 34.83 37.13 3ehu s MET -125CO 0.68 -0.13 0.29 -0.08 -0.01 0.00 0.00 175.02 175.77 3ehu s THR -124N -1.18 0.00 -0.12 2.05 -1.32 0.30 -1.87 115.64 113.49 3ehu s THR -124Ca -0.13 -1.78 0.01 0.00 -1.21 0.00 0.00 61.69 58.59 3ehu s THR -124Cb -0.06 -2.44 0.02 0.00 -1.51 0.00 0.00 72.50 68.51 3ehu s THR -124CO 0.02 0.00 -0.15 -0.63 -2.21 0.00 0.00 174.62 171.65 3ehu s ILE -123N -3.89 1.55 0.19 5.08 1.01 -1.26 -1.09 121.20 122.79 3ehu s ILE -123Ca 0.33 -0.66 -0.23 0.00 0.00 0.00 0.00 60.65 60.10 3ehu s ILE -123Cb 0.03 -1.42 0.07 0.00 0.01 0.00 0.00 42.46 41.16 3ehu s ILE -123CO 0.14 0.45 0.98 0.21 0.00 0.00 0.00 174.94 176.73 3ehu s ASN -122N 1.08 -0.06 0.64 3.58 3.84 -1.01 -4.70 114.94 118.30 3ehu s ASN -122Ca -0.04 -0.62 0.05 0.00 0.21 0.00 0.00 52.86 52.45 3ehu s ASN -122Cb -0.14 0.53 0.11 0.00 -0.55 0.00 0.00 41.25 41.19 3ehu s ASN -122CO -0.03 -1.03 0.89 -0.83 -2.79 0.00 0.00 177.10 173.30 3ehu s GLY -121N -3.19 1.75 0.52 1.21 0.00 -1.26 -1.44 107.32 104.90 3ehu s GLY -121Ca 0.18 -1.95 0.20 0.00 0.00 0.00 0.00 44.72 43.14 3ehu s GLY -121CO 0.05 -1.44 2.13 -2.55 0.00 0.00 0.00 173.10 171.29 3ehu h PRO -120N -0.16 0.00 -0.19 2.90 0.11 -1.83 -2.34 132.00 130.49 3ehu h PRO -120Ca -0.33 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.84 3ehu h PRO -120Cb 1.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 3ehu h PRO -120CO 0.40 0.05 0.20 0.11 -0.21 0.00 0.00 178.00 178.55 3ehu h TRP -119N 0.00 0.00 0.00 0.65 0.09 -1.82 -1.73 115.95 113.14 3ehu h TRP -119Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 3ehu h TRP -119Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.34 3ehu h TRP -119CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 3ehu h ALA -118N 1.79 1.00 -0.71 0.11 0.00 -1.72 -3.34 119.26 116.38 3ehu h ALA -118Ca 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3ehu h ALA -118Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3ehu h ALA -118CO -0.00 0.00 0.43 -1.49 0.00 0.00 0.00 179.25 178.19 3ehu h TRP -117N 0.00 0.92 -0.46 0.00 6.55 -1.46 -2.79 115.95 118.71 3ehu h TRP -117Ca 0.00 0.00 0.03 0.00 0.95 0.00 0.00 58.89 59.88 3ehu h TRP -117Cb 0.94 -0.31 -0.04 0.00 -0.86 0.00 0.00 29.16 28.89 3ehu h TRP -117CO 0.00 0.61 0.25 1.03 -1.05 0.00 0.00 178.44 179.28 3ehu h SER -116N 0.98 0.37 -0.77 -3.49 0.87 -1.76 0.87 113.55 110.63 3ehu h SER -116Ca 0.26 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.82 3ehu h SER -116Cb -0.05 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 61.82 3ehu h SER -116CO -0.05 0.27 0.41 0.78 -0.53 0.00 0.00 176.83 177.71 3ehu h ASN -115N 0.49 0.97 -0.54 6.23 2.35 -1.74 -2.75 115.58 120.60 3ehu h ASN -115Ca 0.20 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 3ehu h ASN -115Cb 0.08 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.17 3ehu h ASN -115CO -0.12 0.79 0.29 0.40 -1.65 0.00 0.00 177.43 177.14 3ehu h ILE -114N 1.06 1.19 -0.74 2.81 2.04 -1.29 -2.82 117.51 119.76 3ehu h ILE -114Ca 0.27 -0.48 0.15 0.00 1.00 0.00 0.00 64.86 65.80 3ehu h ILE -114Cb 0.05 0.52 -0.14 0.00 -0.74 0.00 0.00 36.82 36.51 3ehu h ILE -114CO -0.04 0.20 -0.15 0.44 0.00 0.00 0.00 178.15 178.60 3ehu h ASP -113N 0.72 -0.63 -0.93 1.72 3.32 -0.56 -0.19 116.42 119.87 3ehu h ASP -113Ca 0.19 0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.46 3ehu h ASP -113Cb 0.06 0.44 -0.05 0.00 0.22 0.00 0.00 39.33 40.01 3ehu h ASP -113CO -0.03 -0.24 0.59 0.74 -1.72 0.00 0.00 179.24 178.58 3ehu h THR -112N 0.01 1.25 0.00 0.35 2.02 -1.37 -3.11 112.91 112.06 3ehu h THR -112Ca 0.37 -0.50 -0.07 0.00 0.77 0.00 0.00 66.41 66.97 3ehu h THR -112Cb 0.57 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 3ehu h THR -112CO -0.75 0.25 -0.36 0.77 0.37 0.00 0.00 175.52 175.81 3ehu h SER -111N 1.27 0.00 -3.46 4.18 4.64 -0.78 -3.47 113.55 115.93 3ehu h SER -111Ca 0.34 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.29 3ehu h SER -111Cb -0.10 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.02 3ehu h SER -111CO -0.07 0.36 -0.51 0.29 -0.87 0.00 0.00 176.83 176.02 3ehu n LYS -110N -3.86 -3.22 -2.46 4.77 5.02 -1.07 -5.01 118.16 112.33 3ehu n LYS -110Ca -0.01 0.84 -0.41 0.00 -2.02 0.00 0.00 58.31 56.71 3ehu n LYS -110Cb 0.42 -5.44 -0.04 0.00 -0.02 0.00 0.00 35.03 29.95 3ehu n LYS -110CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3ehu s VAL -109N -3.04 3.63 -0.71 -0.18 1.01 -1.26 -5.02 120.40 114.83 3ehu s VAL -109Ca 0.16 1.48 -0.26 0.00 0.00 0.00 0.00 61.98 63.36 3ehu s VAL -109Cb -0.07 -3.94 0.04 0.00 0.00 0.00 0.00 36.38 32.40 3ehu s VAL -109CO 0.20 0.29 1.21 0.20 0.00 0.00 0.00 175.10 177.00 3ehu s ASN -108N -0.34 6.18 0.09 3.32 0.01 -1.26 -4.90 114.94 118.04 3ehu s ASN -108Ca 0.48 -0.52 0.04 0.00 -0.71 0.00 0.00 52.86 52.16 3ehu s ASN -108Cb -0.31 -2.53 -0.04 0.00 0.41 0.00 0.00 41.25 38.78 3ehu s ASN -108CO 0.38 -1.74 0.03 -0.72 -1.51 0.00 0.00 177.10 173.55 3ehu s TYR -107N 5.36 3.06 0.27 2.20 1.13 -1.26 0.36 117.35 128.47 3ehu s TYR -107Ca 0.33 0.01 0.10 0.00 -1.41 0.00 0.00 57.07 56.10 3ehu s TYR -107Cb -0.10 -1.56 -0.05 0.00 -1.10 0.00 0.00 41.96 39.15 3ehu s TYR -107CO 0.15 0.50 -0.15 0.20 -2.51 0.00 0.00 175.55 173.73 3ehu s GLY -106N -2.39 1.80 -0.04 5.49 0.00 0.59 -4.86 107.32 107.91 3ehu s GLY -106Ca 0.27 -1.85 0.03 0.00 0.00 0.00 0.00 44.72 43.17 3ehu s GLY -106CO 0.20 -1.91 -0.14 0.14 0.00 0.00 0.00 173.10 171.39 3ehu s VAL -105N -2.70 1.19 0.34 1.40 1.01 -1.26 -1.08 120.40 119.29 3ehu s VAL -105Ca 0.28 -0.56 -0.08 0.00 0.00 0.00 0.00 61.98 61.62 3ehu s VAL -105Cb -0.02 -1.04 0.02 0.00 0.00 0.00 0.00 36.38 35.33 3ehu s VAL -105CO 0.13 0.35 0.56 0.28 0.00 0.00 0.00 175.10 176.42 3ehu s THR -104N 0.24 0.00 0.55 3.92 -1.32 0.32 -4.84 115.64 114.52 3ehu s THR -104Ca -0.07 -1.40 -0.20 0.00 -1.21 0.00 0.00 61.69 58.81 3ehu s THR -104Cb -0.12 -2.61 -0.05 0.00 -1.51 0.00 0.00 72.50 68.21 3ehu s THR -104CO 0.02 0.00 1.19 0.54 -2.21 0.00 0.00 174.62 174.16 3ehu s VAL -103N -3.04 2.84 0.60 5.08 0.11 -1.26 -0.79 120.40 123.93 3ehu s VAL -103Ca 0.25 0.55 -0.19 0.00 -2.93 0.00 0.00 61.98 59.65 3ehu s VAL -103Cb -0.02 -3.23 -0.03 0.00 -1.53 0.00 0.00 36.38 31.57 3ehu s VAL -103CO 0.16 -0.09 1.30 -0.76 -3.33 0.00 0.00 175.10 172.38 3ehu s LEU -102N -3.77 3.69 0.87 2.54 1.43 -1.26 -4.37 118.68 117.82 3ehu s LEU -102Ca 0.73 2.62 -0.12 0.00 -1.03 0.00 0.00 54.13 56.34 3ehu s LEU -102Cb -0.29 -4.49 0.12 0.00 0.03 0.00 0.00 46.19 41.55 3ehu s LEU -102CO 0.32 -1.76 1.11 -2.16 0.23 0.00 0.00 176.35 174.09 3ehu s PRO -101N -3.20 1.45 0.41 1.29 0.04 -1.26 -4.53 135.00 129.21 3ehu s PRO -101Ca 0.78 0.50 -0.16 0.00 0.04 0.00 0.00 61.00 62.16 3ehu s PRO -101Cb -0.37 -1.86 -0.09 0.00 0.04 0.00 0.00 34.50 32.23 3ehu s PRO -101CO 0.41 -2.03 0.85 0.95 0.04 0.00 0.00 177.00 177.23 3ehu s THR -100N -3.17 4.59 -0.08 1.26 -4.23 -0.10 -3.28 115.64 110.63 3ehu s THR -100Ca 0.63 1.08 0.03 0.00 -1.18 0.00 0.00 61.69 62.25 3ehu s THR -100Cb -0.15 -3.66 0.01 0.00 1.34 0.00 0.00 72.50 70.04 3ehu s THR -100CO 0.54 -0.40 -0.17 0.12 -0.54 0.00 0.00 174.62 174.17 3ehu s PHE -99 N -2.26 1.93 -1.65 3.99 5.36 0.03 -0.53 117.98 124.84 3ehu s PHE -99 Ca 0.57 -0.77 -0.18 0.00 -0.96 0.00 0.00 56.93 55.58 3ehu s PHE -99 Cb -0.10 -1.35 0.16 0.00 -0.34 0.00 0.00 43.02 41.40 3ehu s PHE -99 CO 0.22 -0.35 0.70 1.63 -1.46 0.00 0.00 175.22 175.96 3ehu n LYS -98 N 3.75 -2.67 -0.95 10.12 5.02 -1.26 -0.93 118.16 131.24 3ehu n LYS -98 Ca -0.21 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 3ehu n LYS -98 Cb 0.52 -5.02 0.00 0.00 -0.02 0.00 0.00 35.03 30.51 3ehu n LYS -98 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ehu n GLY -97 N -1.27 0.59 3.57 0.72 0.00 -1.26 -5.01 105.19 102.54 3ehu n GLY -97 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 3ehu n GLY -97 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ehu s GLN -96 N -0.30 3.47 0.37 1.61 -1.52 -0.10 -5.03 119.66 118.15 3ehu s GLN -96 Ca 0.00 -0.47 -0.26 0.00 -1.95 0.00 0.00 55.36 52.68 3ehu s GLN -96 Cb 0.00 -2.90 -0.12 0.00 -0.22 0.00 0.00 33.01 29.77 3ehu s GLN -96 CO 0.00 0.40 1.10 -0.35 -0.25 0.00 0.00 175.29 176.19 3ehu n PRO -95 N 3.06 1.59 -1.37 2.91 -0.04 -1.26 -0.79 135.00 139.11 3ehu n PRO -95 Ca -0.18 0.56 -0.36 0.00 -0.04 0.00 0.00 63.50 63.49 3ehu n PRO -95 Cb 0.53 -2.10 0.09 0.00 -0.04 0.00 0.00 33.50 31.97 3ehu n PRO -95 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3ehu n SER -94 N 0.69 0.66 -3.37 3.54 7.64 -1.21 -4.52 113.62 117.05 3ehu n SER -94 Ca 0.08 0.67 -0.26 0.00 1.01 0.00 0.00 58.87 60.38 3ehu n SER -94 Cb 0.37 -1.43 -0.09 0.00 -1.01 0.00 0.00 64.21 62.05 3ehu n SER -94 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3ehu n LYS -93 N -1.98 1.01 -2.31 1.43 5.02 -0.87 -4.25 118.16 116.21 3ehu n LYS -93 Ca 0.13 -3.61 -0.38 0.00 -2.02 0.00 0.00 58.31 52.43 3ehu n LYS -93 Cb 0.49 -1.65 -0.02 0.00 -0.02 0.00 0.00 35.03 33.83 3ehu n LYS -93 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3ehu s PRO -92 N -1.09 4.08 -0.10 1.97 0.04 -1.26 -4.25 135.00 134.38 3ehu s PRO -92 Ca 0.34 1.82 -0.30 0.00 0.04 0.00 0.00 61.00 62.90 3ehu s PRO -92 Cb 0.10 -2.68 -0.03 0.00 0.04 0.00 0.00 34.50 31.93 3ehu s PRO -92 CO -0.13 -0.29 1.31 -0.06 0.04 0.00 0.00 177.00 177.87 3ehu s PHE -91 N -1.42 2.84 -0.04 0.56 0.08 -1.26 -1.85 117.98 116.89 3ehu s PHE -91 Ca 0.57 0.94 -0.19 0.00 0.12 0.00 0.00 56.93 58.37 3ehu s PHE -91 Cb -0.30 -3.55 -0.05 0.00 -0.57 0.00 0.00 43.02 38.55 3ehu s PHE -91 CO 0.38 -1.95 0.54 0.08 -0.10 0.00 0.00 175.22 174.16 3ehu s VAL -90 N 3.06 5.01 0.02 -0.44 1.01 0.23 -4.80 120.40 124.49 3ehu s VAL -90 Ca 0.58 1.11 0.03 0.00 0.00 0.00 0.00 61.98 63.70 3ehu s VAL -90 Cb -0.25 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 3ehu s VAL -90 CO 0.20 0.41 -0.01 -0.83 0.00 0.00 0.00 175.10 174.86 3ehu s GLY -89 N -0.04 1.86 -0.37 4.51 0.00 -0.79 -1.50 107.32 111.00 3ehu s GLY -89 Ca 0.29 -1.01 -0.08 0.00 0.00 0.00 0.00 44.72 43.92 3ehu s GLY -89 CO 0.15 -0.90 0.16 0.14 0.00 0.00 0.00 173.10 172.64 3ehu s VAL -88 N -1.12 3.97 0.19 1.40 1.01 -1.26 0.13 120.40 124.72 3ehu s VAL -88 Ca 0.21 -1.20 -0.32 0.00 0.00 0.00 0.00 61.98 60.67 3ehu s VAL -88 Cb -0.11 -3.31 -0.12 0.00 0.00 0.00 0.00 36.38 32.84 3ehu s VAL -88 CO 0.12 -0.29 1.76 -0.22 0.00 0.00 0.00 175.10 176.47 3ehu s LEU -87 N 1.42 4.38 0.06 3.92 2.96 0.48 -1.11 118.68 130.78 3ehu s LEU -87 Ca 0.00 2.85 0.00 0.00 -0.22 0.00 0.00 54.13 56.77 3ehu s LEU -87 Cb -0.20 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.86 3ehu s LEU -87 CO 0.03 -0.99 -0.04 -0.44 -1.32 0.00 0.00 176.35 173.59 3ehu s SER -86 N 1.57 0.71 -0.23 3.68 0.01 0.08 0.27 113.70 119.79 3ehu s SER -86 Ca 0.77 -0.96 0.02 0.00 1.31 0.00 0.00 55.95 57.09 3ehu s SER -86 Cb -0.49 0.15 0.05 0.00 0.21 0.00 0.00 66.02 65.94 3ehu s SER -86 CO 0.33 -0.52 -0.13 0.00 0.41 0.00 0.00 173.24 173.33 3ehu s ALA -85 N -3.58 2.36 0.14 1.44 0.00 0.15 -2.15 121.76 120.11 3ehu s ALA -85 Ca 0.07 -1.50 0.03 0.00 0.00 0.00 0.00 51.96 50.55 3ehu s ALA -85 Cb 0.05 -1.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.71 3ehu s ALA -85 CO -0.07 -0.93 0.24 0.20 0.00 0.00 0.00 175.76 175.20 3ehu s GLY -84 N 1.22 1.79 -0.18 0.00 0.00 0.52 -0.74 107.32 109.93 3ehu s GLY -84 Ca -0.04 -1.03 -0.05 0.00 0.00 0.00 0.00 44.72 43.59 3ehu s GLY -84 CO -0.08 -1.03 0.01 -0.42 0.00 0.00 0.00 173.10 171.58 3ehu s ILE -83 N -1.70 4.18 0.10 0.90 1.01 -1.26 -0.95 121.20 123.48 3ehu s ILE -83 Ca 0.34 -0.25 -0.31 0.00 0.00 0.00 0.00 60.65 60.43 3ehu s ILE -83 Cb -0.11 -2.87 -0.09 0.00 0.01 0.00 0.00 42.46 39.40 3ehu s ILE -83 CO 0.27 0.46 1.63 0.21 0.00 0.00 0.00 174.94 177.51 3ehu s ASN -82 N 0.63 6.59 0.56 3.58 3.84 -0.05 -0.80 114.94 129.29 3ehu s ASN -82 Ca -0.00 2.53 0.24 0.00 0.21 0.00 0.00 52.86 55.85 3ehu s ASN -82 Cb -0.14 -2.57 1.53 0.00 -0.55 0.00 0.00 41.25 39.52 3ehu s ASN -82 CO 0.02 -0.87 2.13 0.00 -2.79 0.00 0.00 177.10 175.59 3ehu h ALA -81 N 7.88 1.92 -0.12 1.71 0.00 -0.70 -1.58 119.26 128.36 3ehu h ALA -81 Ca -0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3ehu h ALA -81 Cb 1.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3ehu h ALA -81 CO 0.93 -0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.98 3ehu n ALA -80 N -2.45 2.54 -2.10 0.00 0.00 -1.26 -4.87 120.51 112.37 3ehu n ALA -80 Ca 0.00 -0.49 -0.42 0.00 0.00 0.00 0.00 53.44 52.54 3ehu n ALA -80 Cb 0.24 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.55 3ehu n ALA -80 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ehu s SER -79 N -1.68 6.84 -0.05 0.00 0.15 -0.60 -4.74 113.70 113.62 3ehu s SER -79 Ca 0.34 2.37 0.06 0.00 0.70 0.00 0.00 55.95 59.42 3ehu s SER -79 Cb 0.18 -2.60 0.28 0.00 -1.71 0.00 0.00 66.02 62.18 3ehu s SER -79 CO 0.28 -0.61 1.05 -0.81 1.20 0.00 0.00 173.24 174.35 3ehu n PRO -78 N 3.44 2.13 -0.55 5.44 -0.04 -1.26 -4.15 135.00 140.01 3ehu n PRO -78 Ca 0.09 -1.09 0.07 0.00 -0.04 0.00 0.00 63.50 62.53 3ehu n PRO -78 Cb 0.42 -1.57 0.15 0.00 -0.04 0.00 0.00 33.50 32.47 3ehu n PRO -78 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3ehu n ASN -77 N 0.26 1.69 -0.19 3.54 3.02 -1.26 -4.78 115.26 117.53 3ehu n ASN -77 Ca 0.10 -3.28 0.03 0.00 -0.03 0.00 0.00 54.58 51.40 3ehu n ASN -77 Cb 0.46 -0.45 0.30 0.00 -0.61 0.00 0.00 39.78 39.48 3ehu n ASN -77 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3ehu h LYS -76 N 0.62 0.86 -0.01 3.52 1.57 -1.94 -1.27 116.57 119.93 3ehu h LYS -76 Ca -0.03 -0.05 -0.21 0.00 -1.87 0.00 0.00 60.65 58.49 3ehu h LYS -76 Cb 1.14 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 33.26 3ehu h LYS -76 CO 0.01 0.57 -0.90 0.93 -0.57 0.00 0.00 179.45 179.49 3ehu h GLU -75 N 0.88 0.35 -0.66 3.15 4.39 -1.95 -1.73 114.58 119.01 3ehu h GLU -75 Ca 0.29 -0.37 0.02 0.00 0.34 0.00 0.00 59.36 59.64 3ehu h GLU -75 Cb 0.05 0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.76 3ehu h GLU -75 CO -0.08 1.05 0.42 -0.07 -1.16 0.00 0.00 179.01 179.17 3ehu h LEU -74 N 0.20 0.71 -0.49 1.33 3.38 -1.87 -1.20 115.31 117.37 3ehu h LEU -74 Ca -0.06 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 3ehu h LEU -74 Cb 1.53 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.10 3ehu h LEU -74 CO 0.15 0.50 0.02 0.00 0.09 0.00 0.00 178.44 179.20 3ehu h ALA -73 N 1.27 0.66 -0.54 1.53 0.00 -1.10 -0.34 119.26 120.73 3ehu h ALA -73 Ca 0.25 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3ehu h ALA -73 Cb -0.03 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3ehu h ALA -73 CO -0.08 0.44 0.30 -0.22 0.00 0.00 0.00 179.25 179.69 3ehu h LYS -72 N 0.71 0.75 -0.36 0.00 3.64 -1.25 -0.54 116.57 119.52 3ehu h LYS -72 Ca 0.14 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 3ehu h LYS -72 Cb 0.48 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 3ehu h LYS -72 CO 0.02 0.57 0.11 1.49 -2.27 0.00 0.00 179.45 179.36 3ehu h GLU -71 N 0.72 0.57 0.28 1.90 4.81 -0.97 0.26 114.58 122.15 3ehu h GLU -71 Ca 0.19 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3ehu h GLU -71 Cb 0.03 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.33 3ehu h GLU -71 CO -0.03 0.59 -0.13 0.35 -0.73 0.00 0.00 179.01 179.05 3ehu h PHE -70 N 0.43 -0.35 0.08 0.92 3.04 -0.90 -0.67 116.94 119.49 3ehu h PHE -70 Ca 0.12 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.05 3ehu h PHE -70 Cb 0.27 0.12 0.00 0.00 2.56 0.00 0.00 35.95 38.89 3ehu h PHE -70 CO 0.01 -0.22 -0.04 -0.07 -2.02 0.00 0.00 178.31 175.97 3ehu h LEU -69 N -0.37 -0.09 -0.11 0.59 3.38 -1.02 -0.34 115.31 117.35 3ehu h LEU -69 Ca -0.04 -0.08 -0.19 0.00 0.09 0.00 0.00 57.88 57.67 3ehu h LEU -69 Cb 0.29 0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.07 3ehu h LEU -69 CO 0.06 0.02 -0.65 -0.33 0.09 0.00 0.00 178.44 177.63 3ehu h GLU -68 N -0.20 0.64 0.00 1.13 5.08 -0.98 0.06 114.58 120.31 3ehu h GLU -68 Ca -0.01 -0.54 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 3ehu h GLU -68 Cb 0.17 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3ehu h GLU -68 CO 0.02 1.16 -1.15 0.09 -1.00 0.00 0.00 179.01 178.13 3ehu n ASN -67 N -4.09 0.81 0.01 1.42 3.02 -0.26 -4.27 115.26 111.90 3ehu n ASN -67 Ca -0.08 -0.66 -0.03 0.00 -0.03 0.00 0.00 54.58 53.78 3ehu n ASN -67 Cb 0.68 1.25 -0.01 0.00 -0.61 0.00 0.00 39.78 41.09 3ehu n ASN -67 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3ehu n TYR -66 N -1.64 0.00 0.02 3.10 4.02 -0.78 -4.86 117.16 117.02 3ehu n TYR -66 Ca 0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.78 3ehu n TYR -66 Cb 0.34 -0.14 -0.09 0.00 -0.02 0.00 0.00 39.34 39.43 3ehu n TYR -66 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 3ehu h LEU -65 N -0.23 -0.08 -4.67 7.72 5.85 -1.15 -3.33 115.31 119.42 3ehu h LEU -65 Ca -0.04 -0.42 -0.49 0.00 0.84 0.00 0.00 57.88 57.78 3ehu h LEU -65 Cb 0.44 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 3ehu h LEU -65 CO -0.02 0.39 1.68 0.18 -0.34 0.00 0.00 178.44 180.33 3ehu n LEU -64 N -4.91 7.11 -4.30 2.25 4.77 0.01 -2.76 117.00 119.17 3ehu n LEU -64 Ca -0.08 -3.98 -0.16 0.00 -0.03 0.00 0.00 56.01 51.76 3ehu n LEU -64 Cb 0.25 -1.44 -0.10 0.00 -2.33 0.00 0.00 43.42 39.80 3ehu n LEU -64 CO 0.32 1.90 -0.37 0.42 -1.33 0.00 0.00 177.39 178.33 3ehu s THR -63 N 0.70 1.11 0.25 -5.08 -4.23 -1.25 -4.84 115.64 102.29 3ehu s THR -63 Ca 0.65 -2.05 -0.03 0.00 -1.18 0.00 0.00 61.69 59.08 3ehu s THR -63 Cb 0.26 -2.13 0.22 0.00 1.34 0.00 0.00 72.50 72.19 3ehu s THR -63 CO -0.07 -0.51 1.75 0.44 -0.54 0.00 0.00 174.62 175.70 3ehu h ASP -62 N 2.60 0.40 0.01 3.99 3.32 -1.91 -1.62 116.42 123.22 3ehu h ASP -62 Ca -0.38 0.09 -0.15 0.00 0.02 0.00 0.00 57.03 56.62 3ehu h ASP -62 Cb 1.21 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 3ehu h ASP -62 CO 0.64 0.17 -0.51 -0.33 -1.72 0.00 0.00 179.24 177.50 3ehu h GLU -61 N 0.54 0.55 -0.04 3.56 3.07 -1.90 -1.23 114.58 119.13 3ehu h GLU -61 Ca 0.42 -0.33 -0.06 0.00 -0.50 0.00 0.00 59.36 58.89 3ehu h GLU -61 Cb 0.59 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 3ehu h GLU -61 CO -0.37 0.93 -0.21 0.78 -1.40 0.00 0.00 179.01 178.75 3ehu h GLY -60 N 1.07 0.23 1.31 -3.84 0.00 -1.59 -2.32 103.07 97.92 3ehu h GLY -60 Ca 0.02 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 46.98 3ehu h GLY -60 CO 0.10 0.29 0.19 1.41 0.00 0.00 0.00 176.54 178.52 3ehu h LEU -59 N -0.36 0.81 -0.91 3.11 3.38 -1.11 -2.44 115.31 117.78 3ehu h LEU -59 Ca -0.01 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3ehu h LEU -59 Cb 0.87 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 3ehu h LEU -59 CO 0.04 0.76 0.57 -0.08 0.09 0.00 0.00 178.44 179.83 3ehu h GLU -58 N 0.85 1.23 -0.62 1.13 4.81 -1.22 0.11 114.58 120.87 3ehu h GLU -58 Ca 0.19 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3ehu h GLU -58 Cb 0.24 -0.26 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 3ehu h GLU -58 CO -0.01 0.84 0.38 0.00 -0.73 0.00 0.00 179.01 179.49 3ehu h ALA -57 N 1.31 0.79 -0.13 2.92 0.00 -1.00 -0.26 119.26 122.89 3ehu h ALA -57 Ca 0.33 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 3ehu h ALA -57 Cb -0.09 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 3ehu h ALA -57 CO -0.07 0.26 -0.05 0.28 0.00 0.00 0.00 179.25 179.68 3ehu h VAL -56 N 0.84 1.31 -0.56 0.00 2.07 -1.19 -3.19 116.25 115.52 3ehu h VAL -56 Ca 0.22 -1.04 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 3ehu h VAL -56 Cb -0.03 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 3ehu h VAL -56 CO -0.04 0.30 0.29 -1.13 0.02 0.00 0.00 177.57 177.01 3ehu h ASN -55 N -0.07 0.70 0.13 0.57 -1.24 -0.49 -0.90 115.58 114.27 3ehu h ASN -55 Ca 0.03 -0.06 -0.05 0.00 0.71 0.00 0.00 56.30 56.93 3ehu h ASN -55 Cb 0.49 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.35 3ehu h ASN -55 CO 0.02 0.58 -0.18 0.11 -1.29 0.00 0.00 177.43 176.67 3ehu h LYS -54 N 0.79 0.12 0.09 6.67 1.57 -1.09 -2.95 116.57 121.76 3ehu h LYS -54 Ca 0.20 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3ehu h LYS -54 Cb 0.05 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3ehu h LYS -54 CO -0.03 0.30 -0.04 0.22 -0.57 0.00 0.00 179.45 179.33 3ehu h ASP -53 N 0.11 -0.10 -3.42 0.86 3.58 -1.17 -3.46 116.42 112.82 3ehu h ASP -53 Ca 0.02 0.00 -0.41 0.00 0.42 0.00 0.00 57.03 57.07 3ehu h ASP -53 Cb 0.39 0.03 -0.35 0.00 1.72 0.00 0.00 39.33 41.12 3ehu h ASP -53 CO 0.03 0.03 -0.77 -0.54 -2.88 0.00 0.00 179.24 175.11 3ehu s LYS -52 N -1.96 0.71 0.31 0.28 1.02 -0.88 -4.87 119.74 114.37 3ehu s LYS -52 Ca -0.02 -0.03 -0.29 0.00 0.02 0.00 0.00 55.97 55.65 3ehu s LYS -52 Cb 0.00 -0.83 -0.13 0.00 -0.52 0.00 0.00 37.83 36.36 3ehu s LYS -52 CO 0.05 -0.14 1.30 -2.30 -0.92 0.00 0.00 175.35 173.35 3ehu n PRO -51 N 4.31 2.06 0.07 -1.68 -0.02 -1.12 -4.17 135.00 134.46 3ehu n PRO -51 Ca -0.21 0.73 0.12 0.00 -2.02 0.00 0.00 63.50 62.11 3ehu n PRO -51 Cb 0.51 -2.31 0.11 0.00 -0.02 0.00 0.00 33.50 31.78 3ehu n PRO -51 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3ehu h LEU -50 N 2.96 0.00 0.00 2.45 3.38 -1.86 -2.81 115.31 119.43 3ehu h LEU -50 Ca -0.45 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.34 3ehu h LEU -50 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3ehu h LEU -50 CO 0.66 0.09 0.00 0.61 0.09 0.00 0.00 178.44 179.89 3ehu n GLY -49 N 1.30 2.16 3.26 0.83 0.00 -1.26 -4.46 105.19 107.02 3ehu n GLY -49 Ca 0.02 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 3ehu n GLY -49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ehu s ALA -48 N -1.00 1.65 0.20 4.61 0.00 -1.22 -4.86 121.76 121.15 3ehu s ALA -48 Ca 0.00 -1.19 0.09 0.00 0.00 0.00 0.00 51.96 50.86 3ehu s ALA -48 Cb 0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 23.12 22.87 3ehu s ALA -48 CO 0.00 0.31 -0.17 0.14 0.00 0.00 0.00 175.76 176.04 3ehu s VAL -47 N -1.21 1.92 0.27 0.00 -7.23 -1.26 -0.26 120.40 112.62 3ehu s VAL -47 Ca 0.04 -2.14 0.10 0.00 -1.81 0.00 0.00 61.98 58.17 3ehu s VAL -47 Cb -0.10 -2.02 -0.03 0.00 0.56 0.00 0.00 36.38 34.79 3ehu s VAL -47 CO 0.04 -0.45 1.60 0.00 -0.31 0.00 0.00 175.10 175.98 3ehu h ALA -46 N 2.76 0.95 -1.97 1.32 0.00 -1.47 -3.44 119.26 117.42 3ehu h ALA -46 Ca -0.40 -0.57 -0.57 0.00 0.00 0.00 0.00 54.91 53.38 3ehu h ALA -46 Cb 1.22 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 3ehu h ALA -46 CO 0.57 0.77 0.97 -1.17 0.00 0.00 0.00 179.25 180.39 3ehu s LEU -45 N -7.63 3.90 0.14 0.00 2.96 -1.26 -1.60 118.68 115.19 3ehu s LEU -45 Ca -0.02 1.23 -0.23 0.00 -0.22 0.00 0.00 54.13 54.89 3ehu s LEU -45 Cb 0.13 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.27 3ehu s LEU -45 CO 0.77 -1.06 1.64 0.11 -1.32 0.00 0.00 176.35 176.49 3ehu h LYS -44 N 9.22 -0.27 -0.98 1.98 1.57 -1.41 -0.91 116.57 125.77 3ehu h LYS -44 Ca -0.26 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.61 3ehu h LYS -44 Cb 1.10 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 33.40 3ehu h LYS -44 CO 1.03 -0.18 0.64 0.66 -0.57 0.00 0.00 179.45 181.03 3ehu h SER -43 N -0.28 1.00 0.54 0.86 4.64 -1.93 -2.08 113.55 116.30 3ehu h SER -43 Ca 0.10 0.01 -0.29 0.00 -0.47 0.00 0.00 61.79 61.14 3ehu h SER -43 Cb 0.43 -0.20 0.01 0.00 -0.31 0.00 0.00 62.40 62.33 3ehu h SER -43 CO -0.30 0.63 -1.34 0.22 -0.87 0.00 0.00 176.83 175.17 3ehu h TYR -42 N 1.13 0.56 -0.31 4.77 3.20 -1.87 -3.25 116.97 121.20 3ehu h TYR -42 Ca 0.43 -0.41 0.05 0.00 3.14 0.00 0.00 58.73 61.94 3ehu h TYR -42 Cb 0.20 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 3ehu h TYR -42 CO -0.00 1.35 0.21 1.49 -1.64 0.00 0.00 178.16 179.57 3ehu h GLU -41 N 0.08 0.22 -0.49 1.82 4.57 -0.88 -1.95 114.58 117.95 3ehu h GLU -41 Ca -0.18 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 57.95 3ehu h GLU -41 Cb 2.01 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 30.53 3ehu h GLU -41 CO 0.21 0.14 0.15 0.93 -1.18 0.00 0.00 179.01 179.26 3ehu h GLU -40 N 0.22 0.72 -0.05 1.92 5.08 -1.42 -0.65 114.58 120.41 3ehu h GLU -40 Ca 0.13 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3ehu h GLU -40 Cb 0.26 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 3ehu h GLU -40 CO -0.02 0.63 -0.05 0.93 -1.00 0.00 0.00 179.01 179.49 3ehu h GLU -39 N 0.71 0.12 -0.20 2.33 5.08 -1.50 -3.34 114.58 117.77 3ehu h GLU -39 Ca 0.16 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 3ehu h GLU -39 Cb 0.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3ehu h GLU -39 CO -0.01 0.59 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.44 3ehu h LEU -38 N -0.35 0.29 -1.42 1.33 3.38 -1.13 -3.10 115.31 114.32 3ehu h LEU -38 Ca 0.01 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3ehu h LEU -38 Cb 0.57 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3ehu h LEU -38 CO 0.01 0.41 0.00 0.00 0.09 0.00 0.00 178.44 178.95 3ehu n ALA -37 N -2.49 1.04 0.24 1.53 0.00 -0.27 -0.79 120.51 119.77 3ehu n ALA -37 Ca -0.00 0.20 0.13 0.00 0.00 0.00 0.00 53.44 53.77 3ehu n ALA -37 Cb 0.25 -1.31 0.29 0.00 0.00 0.00 0.00 19.45 18.68 3ehu n ALA -37 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3ehu h LYS -36 N 0.00 0.00 -6.28 0.00 1.57 -1.76 -3.45 116.57 106.66 3ehu h LYS -36 Ca 0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 3ehu h LYS -36 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3ehu h LYS -36 CO 0.00 0.00 1.07 0.34 -0.57 0.00 0.00 179.45 180.29 3ehu s ASP -35 N -6.07 6.67 0.19 0.86 -1.08 0.03 -4.92 116.67 112.35 3ehu s ASP -35 Ca 0.06 2.25 -0.11 0.00 -0.52 0.00 0.00 52.55 54.23 3ehu s ASP -35 Cb 0.06 -2.54 0.11 0.00 -1.46 0.00 0.00 42.92 39.10 3ehu s ASP -35 CO 0.64 -0.91 1.82 -0.65 0.52 0.00 0.00 175.17 176.58 3ehu h PRO -34 N 9.36 0.92 -0.85 4.34 0.11 -1.88 -1.91 132.00 142.09 3ehu h PRO -34 Ca -0.39 -0.10 0.09 0.00 0.11 0.00 0.00 66.00 65.71 3ehu h PRO -34 Cb 1.18 -0.19 -0.06 0.00 0.11 0.00 0.00 31.00 32.05 3ehu h PRO -34 CO 0.95 0.68 0.55 0.00 -0.21 0.00 0.00 178.00 179.97 3ehu h ARG -33 N 0.91 0.81 -6.26 1.05 3.08 -1.91 -3.50 114.38 108.56 3ehu h ARG -33 Ca 0.24 -0.05 -0.58 0.00 0.07 0.00 0.00 59.98 59.66 3ehu h ARG -33 Cb 0.01 -0.18 -0.07 0.00 0.08 0.00 0.00 29.97 29.80 3ehu h ARG -33 CO -0.04 0.54 0.76 0.42 -1.07 0.00 0.00 179.97 180.58 3ehu s ILE -32 N -5.76 4.51 0.00 2.04 1.01 -0.72 -4.92 121.20 117.35 3ehu s ILE -32 Ca -0.10 1.49 0.00 0.00 0.00 0.00 0.00 60.65 62.03 3ehu s ILE -32 Cb 0.20 -4.40 0.00 0.00 0.01 0.00 0.00 42.46 38.27 3ehu s ILE -32 CO 0.79 -0.55 0.00 0.61 0.00 0.00 0.00 174.94 175.79 3ehu n GLY -22 N 4.16 2.49 3.40 6.18 0.00 -1.26 -5.01 105.19 115.15 3ehu n GLY -22 Ca 0.10 -1.12 -0.31 0.00 0.00 0.00 0.00 46.02 44.69 3ehu n GLY -22 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ehu s GLU -21 N -4.02 2.19 0.17 1.61 2.02 -0.77 -4.88 118.70 115.03 3ehu s GLU -21 Ca 0.00 -0.89 -0.32 0.00 0.02 0.00 0.00 54.97 53.79 3ehu s GLU -21 Cb 0.00 -2.17 -0.11 0.00 0.10 0.00 0.00 34.13 31.95 3ehu s GLU -21 CO 0.00 0.57 1.75 0.42 0.02 0.00 0.00 175.26 178.02 3ehu s ILE -20 N -0.74 2.25 0.59 -1.63 -1.09 -1.26 0.76 121.20 120.08 3ehu s ILE -20 Ca 0.12 0.06 -0.20 0.00 -2.23 0.00 0.00 60.65 58.40 3ehu s ILE -20 Cb -0.10 -3.04 -0.03 0.00 -1.58 0.00 0.00 42.46 37.70 3ehu s ILE -20 CO 0.01 0.00 1.31 -0.04 -1.23 0.00 0.00 174.94 174.99 3ehu s MET -19 N 1.73 2.92 0.86 2.79 -1.94 -0.57 -4.81 119.30 120.30 3ehu s MET -19 Ca 0.77 2.09 -0.10 0.00 -1.71 0.00 0.00 55.69 56.74 3ehu s MET -19 Cb -0.48 -2.06 0.11 0.00 2.01 0.00 0.00 34.83 34.41 3ehu s MET -19 CO 0.33 -1.32 1.12 -2.14 -0.01 0.00 0.00 175.02 173.01 3ehu s PRO -18 N -3.13 1.48 0.00 2.03 0.02 -1.26 -4.88 135.00 129.25 3ehu s PRO -18 Ca 0.76 1.38 0.16 0.00 0.02 0.00 0.00 61.00 63.32 3ehu s PRO -18 Cb -0.37 -1.79 0.38 0.00 0.02 0.00 0.00 34.50 32.73 3ehu s PRO -18 CO 0.42 -2.26 1.29 0.27 -0.33 0.00 0.00 177.00 176.39 3ehu n ASN -17 N -3.96 3.13 -4.72 2.53 0.23 -1.26 -4.36 115.26 106.85 3ehu n ASN -17 Ca 0.11 -1.93 -0.36 0.00 -0.53 0.00 0.00 54.58 51.87 3ehu n ASN -17 Cb 0.52 -0.26 0.09 0.00 -2.08 0.00 0.00 39.78 38.05 3ehu n ASN -17 CO 0.00 0.00 0.00 0.27 -0.93 0.00 0.00 177.26 176.60 3ehu s ILE -16 N -1.07 2.07 0.60 1.53 -4.36 -1.26 -1.95 121.20 116.75 3ehu s ILE -16 Ca 0.30 0.04 0.30 0.00 -0.26 0.00 0.00 60.65 61.04 3ehu s ILE -16 Cb 0.17 -2.83 0.36 0.00 1.25 0.00 0.00 42.46 41.41 3ehu s ILE -16 CO 0.22 -0.01 2.14 -0.65 0.24 0.00 0.00 174.94 176.88 3ehu h PRO -15 N 0.09 0.00 0.00 0.37 0.11 -1.89 -1.82 132.00 128.86 3ehu h PRO -15 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3ehu h PRO -15 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3ehu h PRO -15 CO 0.51 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.34 3ehu n GLN -14 N -3.70 0.27 0.07 1.05 3.00 -1.26 -3.79 117.38 113.01 3ehu n GLN -14 Ca 0.00 0.07 0.05 0.00 -0.01 0.00 0.00 57.00 57.11 3ehu n GLN -14 Cb 0.26 -1.50 0.48 0.00 0.00 0.00 0.00 30.24 29.48 3ehu n GLN -14 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.06 177.58 3ehu h MET -13 N 0.00 0.39 -0.22 -1.09 2.86 -1.63 -1.93 114.93 113.32 3ehu h MET -13 Ca 0.00 -0.03 -0.17 0.00 -2.06 0.00 0.00 59.70 57.45 3ehu h MET -13 Cb 0.25 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.82 3ehu h MET -13 CO 0.00 0.27 -0.55 0.66 1.06 0.00 0.00 176.91 178.35 3ehu h SER -12 N 0.40 0.73 -0.27 1.22 4.64 -1.82 -0.45 113.55 117.99 3ehu h SER -12 Ca 0.11 -0.39 0.02 0.00 -0.47 0.00 0.00 61.79 61.05 3ehu h SER -12 Cb -0.03 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.83 3ehu h SER -12 CO -0.02 1.13 0.14 0.00 -0.87 0.00 0.00 176.83 177.21 3ehu h ALA -11 N 0.89 0.33 -0.03 5.18 0.00 -1.75 -1.54 119.26 122.34 3ehu h ALA -11 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3ehu h ALA -11 Cb 1.11 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 3ehu h ALA -11 CO 0.11 -0.25 -0.18 0.35 0.00 0.00 0.00 179.25 179.28 3ehu h PHE -10 N 0.30 -0.48 -0.80 0.00 3.57 -1.17 0.51 116.94 118.88 3ehu h PHE -10 Ca 0.11 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 3ehu h PHE -10 Cb 0.02 0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 3ehu h PHE -10 CO -0.09 -0.26 0.36 -1.49 -2.23 0.00 0.00 178.31 174.60 3ehu h TRP -9 N -0.28 1.18 -0.53 0.41 -0.00 -1.00 -1.58 115.95 114.15 3ehu h TRP -9 Ca 0.07 -0.07 -0.01 0.00 -0.00 0.00 0.00 58.89 58.88 3ehu h TRP -9 Cb 0.37 -0.36 -0.02 0.00 -0.00 0.00 0.00 29.16 29.14 3ehu h TRP -9 CO -0.25 0.87 0.29 -0.92 -0.00 0.00 0.00 178.44 178.43 3ehu h TYR -8 N 1.14 0.73 -0.01 0.49 3.20 -1.06 0.26 116.97 121.72 3ehu h TYR -8 Ca 0.27 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.15 3ehu h TYR -8 Cb 0.16 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.15 3ehu h TYR -8 CO 0.02 0.54 -0.19 0.00 -1.64 0.00 0.00 178.16 176.88 3ehu h ALA -7 N 1.13 -0.23 -0.50 1.82 0.00 -0.54 -2.10 119.26 118.85 3ehu h ALA -7 Ca 0.19 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 3ehu h ALA -7 Cb 0.05 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3ehu h ALA -7 CO -0.03 -0.68 0.08 0.28 0.00 0.00 0.00 179.25 178.90 3ehu h VAL -6 N -0.30 1.25 0.08 0.00 2.07 -1.14 -1.15 116.25 117.06 3ehu h VAL -6 Ca 0.06 -0.93 0.02 0.00 0.82 0.00 0.00 66.70 66.67 3ehu h VAL -6 Cb 0.38 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 3ehu h VAL -6 CO -0.19 0.33 -0.43 -0.09 0.02 0.00 0.00 177.57 177.22 3ehu h ARG -5 N 0.70 -0.61 -0.54 1.57 2.43 -0.91 0.63 114.38 117.65 3ehu h ARG -5 Ca 0.15 0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.43 3ehu h ARG -5 Cb 0.40 0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 30.03 3ehu h ARG -5 CO 0.01 -0.41 0.21 1.15 -1.51 0.00 0.00 179.97 179.42 3ehu h THR -4 N -0.64 0.84 -0.29 0.20 2.02 -1.33 -1.13 112.91 112.59 3ehu h THR -4 Ca 0.03 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 3ehu h THR -4 Cb 0.68 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 3ehu h THR -4 CO -0.27 0.07 0.14 0.00 0.37 0.00 0.00 175.52 175.83 3ehu h ALA -3 N 1.35 0.37 0.23 6.16 0.00 -0.69 -1.43 119.26 125.24 3ehu h ALA -3 Ca 0.26 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3ehu h ALA -3 Cb 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3ehu h ALA -3 CO -0.24 -0.06 -0.11 0.28 0.00 0.00 0.00 179.25 179.11 3ehu h VAL -2 N 0.33 0.80 -0.74 0.00 2.07 -0.57 0.31 116.25 118.44 3ehu h VAL -2 Ca 0.10 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.54 3ehu h VAL -2 Cb 0.13 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 3ehu h VAL -2 CO -0.01 0.03 0.44 0.40 0.02 0.00 0.00 177.57 178.45 3ehu h ILE -1 N -0.38 1.02 -0.42 4.57 2.04 -1.19 -0.24 117.51 122.91 3ehu h ILE -1 Ca -0.03 -0.28 -0.09 0.00 1.00 0.00 0.00 64.86 65.46 3ehu h ILE -1 Cb 0.29 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 3ehu h ILE -1 CO 0.05 0.15 -0.07 0.78 0.00 0.00 0.00 178.15 179.06 3ehu h ASN 0 N 0.82 0.79 -0.22 1.72 4.21 -1.10 -2.25 115.58 119.56 3ehu h ASN 0 Ca 0.32 -0.35 -0.04 0.00 1.21 0.00 0.00 56.30 57.45 3ehu h ASN 0 Cb 0.15 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 37.12 3ehu h ASN 0 CO -0.16 0.95 -0.03 0.00 -1.29 0.00 0.00 177.43 176.90 3ehu h ALA 1 N 0.87 0.30 -0.41 -0.83 0.00 -0.70 -1.72 119.26 116.77 3ehu h ALA 1 Ca 0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3ehu h ALA 1 Cb 0.59 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3ehu h ALA 1 CO 0.04 0.05 0.18 0.00 0.00 0.00 0.00 179.25 179.52 3ehu h ALA 2 N 0.77 1.56 -0.24 0.00 0.00 -1.06 -2.61 119.26 117.68 3ehu h ALA 2 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3ehu h ALA 2 Cb 0.46 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3ehu h ALA 2 CO 0.02 0.35 0.00 -1.13 0.00 0.00 0.00 179.25 178.49 3ehu n SER 3 N -4.40 2.22 0.00 0.00 3.41 -0.85 -4.71 113.62 109.30 3ehu n SER 3 Ca 0.03 -1.81 0.00 0.00 -0.26 0.00 0.00 58.87 56.83 3ehu n SER 3 Cb 0.13 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 3ehu n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ehu n GLY 4 N 1.24 1.00 0.30 5.00 0.00 -0.98 -4.88 105.19 106.87 3ehu n GLY 4 Ca 0.17 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.26 3ehu n GLY 4 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3ehu h ARG 5 N 2.08 0.30 -4.40 1.61 2.43 -1.59 -3.43 114.38 111.38 3ehu h ARG 5 Ca 0.00 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 58.98 3ehu h ARG 5 Cb 0.00 -0.07 -0.15 0.00 -0.42 0.00 0.00 29.97 29.33 3ehu h ARG 5 CO 0.00 0.20 -0.69 -0.65 -1.51 0.00 0.00 179.97 177.32 3ehu s GLN 6 N -5.30 0.68 0.86 0.20 -0.21 -0.96 -5.02 119.66 109.92 3ehu s GLN 6 Ca -0.07 -1.22 -0.12 0.00 0.02 0.00 0.00 55.36 53.97 3ehu s GLN 6 Cb 0.18 0.03 0.11 0.00 1.00 0.00 0.00 33.01 34.32 3ehu s GLN 6 CO 0.71 -0.07 1.10 0.95 -2.12 0.00 0.00 175.29 175.87 3ehu s THR 7 N -3.61 2.69 0.13 -0.19 -4.23 -1.26 -4.22 115.64 104.95 3ehu s THR 7 Ca 0.07 0.23 -0.18 0.00 -1.18 0.00 0.00 61.69 60.62 3ehu s THR 7 Cb 0.06 -2.87 -0.04 0.00 1.34 0.00 0.00 72.50 70.99 3ehu s THR 7 CO -0.07 -0.29 1.79 0.58 -0.54 0.00 0.00 174.62 176.08 3ehu h VAL 8 N -1.36 1.07 -0.11 2.29 2.07 -1.96 -0.27 116.25 117.99 3ehu h VAL 8 Ca -0.49 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 66.94 3ehu h VAL 8 Cb 1.29 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 31.66 3ehu h VAL 8 CO 0.58 0.07 -0.45 -0.78 0.02 0.00 0.00 177.57 177.01 3ehu h ASP 9 N 0.37 -1.41 -0.03 0.57 3.58 -1.95 -0.52 116.42 117.04 3ehu h ASP 9 Ca 0.10 0.18 0.02 0.00 0.42 0.00 0.00 57.03 57.75 3ehu h ASP 9 Cb -0.04 0.56 -0.03 0.00 1.72 0.00 0.00 39.33 41.54 3ehu h ASP 9 CO -0.02 -0.45 -0.12 -0.33 -2.88 0.00 0.00 179.24 175.44 3ehu h GLU 10 N -0.53 -0.18 -0.37 0.28 5.08 -1.89 -0.97 114.58 116.00 3ehu h GLU 10 Ca 0.06 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.50 3ehu h GLU 10 Cb 0.65 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.88 3ehu h GLU 10 CO -0.39 -0.12 -0.02 0.00 -1.00 0.00 0.00 179.01 177.48 3ehu h ALA 11 N 0.80 0.31 0.00 3.43 0.00 -0.88 -1.08 119.26 121.85 3ehu h ALA 11 Ca 0.05 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 3ehu h ALA 11 Cb 0.26 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3ehu h ALA 11 CO -0.14 -0.41 -0.53 -0.07 0.00 0.00 0.00 179.25 178.10 3ehu h LEU 12 N 0.08 0.00 -0.26 0.00 3.38 -0.92 -0.58 115.31 117.02 3ehu h LEU 12 Ca 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 3ehu h LEU 12 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3ehu h LEU 12 CO -0.32 0.53 0.09 0.50 0.09 0.00 0.00 178.44 179.33 3ehu h LYS 13 N 0.00 0.39 -0.67 1.13 3.64 -0.76 -0.72 116.57 119.59 3ehu h LYS 13 Ca -0.01 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 3ehu h LYS 13 Cb 1.26 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 3ehu h LYS 13 CO 0.07 0.45 0.35 -0.44 -2.27 0.00 0.00 179.45 177.61 3ehu h ASP 14 N 0.26 0.83 -0.67 4.20 3.32 -1.02 -2.89 116.42 120.45 3ehu h ASP 14 Ca 0.08 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 3ehu h ASP 14 Cb 0.22 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 3ehu h ASP 14 CO -0.00 0.68 0.24 0.00 -1.72 0.00 0.00 179.24 178.44 3ehu h ALA 15 N 1.45 0.87 -0.31 3.45 0.00 -0.77 -0.98 119.26 122.97 3ehu h ALA 15 Ca 0.24 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3ehu h ALA 15 Cb 0.05 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3ehu h ALA 15 CO -0.04 0.51 0.13 0.37 0.00 0.00 0.00 179.25 180.23 3ehu h GLN 16 N 0.95 0.27 -0.34 0.00 4.15 -1.00 -0.25 115.11 118.90 3ehu h GLN 16 Ca 0.22 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.62 3ehu h GLN 16 Cb 0.24 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.86 3ehu h GLN 16 CO -0.01 0.18 0.20 1.15 -1.93 0.00 0.00 178.83 178.42 3ehu h THR 17 N 0.28 1.12 -0.15 2.39 2.02 -1.29 -2.67 112.91 114.61 3ehu h THR 17 Ca 0.13 -0.28 -0.15 0.00 0.77 0.00 0.00 66.41 66.89 3ehu h THR 17 Cb 0.08 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 3ehu h THR 17 CO -0.12 0.12 -0.52 0.78 0.37 0.00 0.00 175.52 176.15 3ehu h ASN 18 N 0.44 0.48 0.27 4.18 2.35 -1.00 -2.12 115.58 120.18 3ehu h ASN 18 Ca 0.12 -0.25 -0.10 0.00 -0.55 0.00 0.00 56.30 55.52 3ehu h ASN 18 Cb 0.02 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 3ehu h ASN 18 CO -0.02 0.91 -0.42 0.00 -1.65 0.00 0.00 177.43 176.26 3ehu h ALA 19 N 1.10 1.14 -0.88 -0.83 0.00 -1.00 -2.77 119.26 116.02 3ehu h ALA 19 Ca 0.01 -0.41 -0.52 0.00 0.00 0.00 0.00 54.91 53.99 3ehu h ALA 19 Cb 1.03 -0.09 -0.28 0.00 0.00 0.00 0.00 17.79 18.46 3ehu h ALA 19 CO 0.09 0.58 0.51 0.00 0.00 0.00 0.00 179.25 180.44 3ehu n ALA 20 N -2.47 5.62 0.26 0.00 0.00 -1.01 -4.44 120.51 118.47 3ehu n ALA 20 Ca -0.02 -3.20 0.14 0.00 0.00 0.00 0.00 53.44 50.37 3ehu n ALA 20 Cb 0.47 -1.37 0.70 0.00 0.00 0.00 0.00 19.45 19.25 3ehu n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ehu h ALA 21 N 1.42 1.12 0.00 0.00 0.00 -1.09 -2.31 119.26 118.41 3ehu h ALA 21 Ca 0.55 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3ehu h ALA 21 Cb 1.90 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.67 3ehu h ALA 21 CO 1.14 0.14 0.00 1.05 0.00 0.00 0.00 179.25 181.58 3ehu h GLU 22 N 0.00 0.00 -5.48 0.00 4.11 -1.86 -3.50 114.58 107.84 3ehu h GLU 22 Ca -0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.36 58.79 3ehu h GLU 22 Cb 0.45 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.52 3ehu h GLU 22 CO 0.01 0.00 -0.62 -0.06 0.07 0.00 0.00 179.01 178.42 3ehu s PHE 23 N -3.82 3.15 0.00 2.06 0.40 -0.87 -5.26 117.98 113.64 3ehu s PHE 23 Ca -0.02 -0.03 0.00 0.00 -0.60 0.00 0.00 56.93 56.28 3ehu s PHE 23 Cb 0.10 -1.95 0.00 0.00 0.51 0.00 0.00 43.02 41.68 3ehu s PHE 23 CO 0.40 0.18 0.00 -3.47 0.70 0.00 0.00 175.22 173.03 3ehu n ASP 27 N 3.12 0.00 -0.04 1.36 2.03 -1.26 -5.19 116.55 116.57 3ehu n ASP 27 Ca -0.17 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.01 3ehu n ASP 27 Cb 0.53 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.85 3ehu n ASP 27 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 3ehu h GLN 28 N 0.00 0.24 -0.70 -0.67 4.20 -2.01 -3.24 115.11 112.93 3ehu h GLN 28 Ca 0.00 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 3ehu h GLN 28 Cb 0.00 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 3ehu h GLN 28 CO 0.00 0.63 0.44 1.25 -0.67 0.00 0.00 178.83 180.48 3ehu h HIS 29 N -0.16 0.90 -0.37 2.96 2.76 -2.03 -2.83 115.15 116.39 3ehu h HIS 29 Ca 0.02 0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.10 3ehu h HIS 29 Cb 0.58 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 29.22 3ehu h HIS 29 CO 0.08 0.59 -0.17 0.00 -1.30 0.00 0.00 177.93 177.13 3ehu h GLU 31 N 0.61 0.98 -0.33 0.00 5.08 -1.53 -3.07 114.58 116.33 3ehu h GLU 31 Ca 0.10 -0.37 -0.10 0.00 -1.00 0.00 0.00 59.36 57.99 3ehu h GLU 31 Cb 0.64 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 3ehu h GLU 31 CO 0.04 1.05 -0.20 0.66 -1.00 0.00 0.00 179.01 179.56 3ehu h SER 32 N 0.87 0.62 0.00 1.42 4.64 -1.46 -3.34 113.55 116.31 3ehu h SER 32 Ca 0.13 -0.20 -0.04 0.00 -0.47 0.00 0.00 61.79 61.20 3ehu h SER 32 Cb 0.70 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 3ehu h SER 32 CO 0.05 0.82 -0.05 0.18 -0.87 0.00 0.00 176.83 176.96 3ehu n LEU 33 N -4.14 4.08 0.00 5.97 4.77 -1.08 -3.22 117.00 123.39 3ehu n LEU 33 Ca 0.00 -2.06 0.00 0.00 -0.03 0.00 0.00 56.01 53.92 3ehu n LEU 33 Cb 0.39 -0.93 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 3ehu n LEU 33 CO 0.43 0.90 0.00 -0.24 -1.33 0.00 0.00 177.39 177.14 3ehu n SER 34 N 1.91 0.00 -1.46 -1.43 2.88 -1.25 -4.91 113.62 109.36 3ehu n SER 34 Ca 0.10 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.75 3ehu n SER 34 Cb 0.48 0.00 0.34 0.00 -0.75 0.00 0.00 64.21 64.28 3ehu n SER 34 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3ehu n LEU 35 N 0.00 4.28 -0.69 2.46 7.94 -1.20 -3.92 117.00 125.88 3ehu n LEU 35 Ca 0.00 -2.15 0.11 0.00 -1.11 0.00 0.00 56.01 52.87 3ehu n LEU 35 Cb 0.00 -0.53 0.35 0.00 0.53 0.00 0.00 43.42 43.77 3ehu n LEU 35 CO 0.00 0.92 0.76 0.00 -1.11 0.00 0.00 177.39 177.97 3ehu n ALA 36 N 1.47 2.51 -2.21 1.96 0.00 -1.26 -4.91 120.51 118.06 3ehu n ALA 36 Ca 0.25 -0.61 -0.40 0.00 0.00 0.00 0.00 53.44 52.68 3ehu n ALA 36 Cb 0.73 -1.04 -0.05 0.00 0.00 0.00 0.00 19.45 19.09 3ehu n ALA 36 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3ehu s SER 37 N -1.66 7.32 -0.28 0.00 1.04 -1.25 -5.05 113.70 113.82 3ehu s SER 37 Ca 0.34 1.57 -0.01 0.00 0.48 0.00 0.00 55.95 58.33 3ehu s SER 37 Cb 0.19 -2.50 0.09 0.00 0.10 0.00 0.00 66.02 63.90 3ehu s SER 37 CO 0.29 0.08 0.06 0.54 0.98 0.00 0.00 173.24 175.20 3ehu s ASN 38 N -0.48 3.82 -0.11 7.02 4.22 -1.26 -5.13 114.94 123.02 3ehu s ASN 38 Ca 0.38 -1.44 -0.00 0.00 -2.14 0.00 0.00 52.86 49.66 3ehu s ASN 38 Cb -0.22 -0.88 -0.02 0.00 1.28 0.00 0.00 41.25 41.40 3ehu s ASN 38 CO 0.25 -0.37 -0.09 -0.63 -2.04 0.00 0.00 177.10 174.22 3ehu s ILE 39 N 1.61 3.47 -0.04 0.54 1.01 -1.26 -5.12 121.20 121.41 3ehu s ILE 39 Ca 0.06 -0.53 -0.13 0.00 0.00 0.00 0.00 60.65 60.05 3ehu s ILE 39 Cb -0.17 -2.45 -0.05 0.00 0.01 0.00 0.00 42.46 39.79 3ehu s ILE 39 CO -0.19 0.55 0.33 -0.44 0.00 0.00 0.00 174.94 175.19 3ehu s SER 40 N -0.12 6.68 0.00 3.58 0.01 -1.26 -4.97 113.70 117.62 3ehu s SER 40 Ca 0.01 0.81 0.00 0.00 1.31 0.00 0.00 55.95 58.08 3ehu s SER 40 Cb -0.13 -2.20 0.00 0.00 0.21 0.00 0.00 66.02 63.90 3ehu s SER 40 CO 0.03 0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.63 3ehu n GLY 41 N 1.92 -1.48 3.77 3.44 0.00 -1.26 -4.96 105.19 106.62 3ehu n GLY 41 Ca -0.16 -1.58 -0.40 0.00 0.00 0.00 0.00 46.02 43.89 3ehu n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ehu s LEU 42 N 0.00 4.45 0.02 0.99 1.43 -1.26 -4.97 118.68 119.34 3ehu s LEU 42 Ca 0.00 2.53 -0.05 0.00 -1.03 0.00 0.00 54.13 55.58 3ehu s LEU 42 Cb 0.00 -3.67 -0.01 0.00 0.03 0.00 0.00 46.19 42.54 3ehu s LEU 42 CO 0.00 -0.42 0.09 -1.10 0.23 0.00 0.00 176.35 175.15 3ehu s GLN 43 N -1.72 0.49 -0.12 1.70 -0.21 -1.26 -1.30 119.66 117.23 3ehu s GLN 43 Ca 0.48 -0.56 -0.18 0.00 0.02 0.00 0.00 55.36 55.13 3ehu s GLN 43 Cb -0.37 0.19 -0.04 0.00 1.00 0.00 0.00 33.01 33.79 3ehu s GLN 43 CO 0.48 -0.11 0.45 0.00 -2.12 0.00 0.00 175.29 173.99 3ehu s ASN 45 N 0.60 4.09 0.20 0.00 0.01 -1.26 -1.42 114.94 117.17 3ehu s ASN 45 Ca 0.25 1.67 -0.32 0.00 -0.71 0.00 0.00 52.86 53.74 3ehu s ASN 45 Cb -0.15 -2.36 -0.13 0.00 0.41 0.00 0.00 41.25 39.02 3ehu s ASN 45 CO 0.09 -2.27 1.57 0.00 -1.51 0.00 0.00 177.10 174.98 3ehu n ALA 46 N -3.66 1.76 -3.32 0.60 0.00 -1.26 -4.45 120.51 110.17 3ehu n ALA 46 Ca 0.08 0.42 -0.13 0.00 0.00 0.00 0.00 53.44 53.82 3ehu n ALA 46 Cb 0.54 -2.38 -0.11 0.00 0.00 0.00 0.00 19.45 17.49 3ehu n ALA 46 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ehu s SER 47 N 0.78 -0.32 -0.20 0.00 0.15 0.08 -4.83 113.70 109.35 3ehu s SER 47 Ca 0.74 0.62 -0.16 0.00 0.70 0.00 0.00 55.95 57.85 3ehu s SER 47 Cb -0.61 0.60 -0.04 0.00 -1.71 0.00 0.00 66.02 64.25 3ehu s SER 47 CO 0.40 -0.12 0.38 -0.69 1.20 0.00 0.00 173.24 174.42 3ehu s VAL 48 N 0.44 5.21 1.00 4.45 1.01 -1.26 0.34 120.40 131.60 3ehu s VAL 48 Ca -0.02 0.68 -0.17 0.00 0.00 0.00 0.00 61.98 62.46 3ehu s VAL 48 Cb -0.04 -3.72 0.23 0.00 0.00 0.00 0.00 36.38 32.85 3ehu s VAL 48 CO -0.02 0.26 1.35 1.51 0.00 0.00 0.00 175.10 178.20 3ehu s ASP 49 N 1.04 2.78 0.58 3.32 1.47 0.07 -4.90 116.67 121.03 3ehu s ASP 49 Ca 0.18 0.16 0.36 0.00 1.18 0.00 0.00 52.55 54.44 3ehu s ASP 49 Cb -0.15 -0.11 1.70 0.00 -0.34 0.00 0.00 42.92 44.02 3ehu s ASP 49 CO 0.08 -2.94 2.11 -0.07 0.68 0.00 0.00 175.17 175.03 3ehu h LEU 50 N -1.79 0.00 0.00 2.11 3.38 -1.98 -1.97 115.31 115.06 3ehu h LEU 50 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3ehu h LEU 50 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3ehu h LEU 50 CO 0.32 0.02 -0.35 0.40 0.09 0.00 0.00 178.44 178.92 3ehu h ILE 51 N 0.00 0.00 0.00 1.22 2.04 -2.04 -3.47 117.51 115.26 3ehu h ILE 51 Ca -0.00 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.27 3ehu h ILE 51 Cb 0.34 1.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 3ehu h ILE 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.76 3ehu n GLY 52 N 1.29 0.89 3.72 5.37 0.00 -0.74 -5.01 105.19 110.71 3ehu n GLY 52 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3ehu n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ehu s THR 53 N -2.00 4.58 -0.30 2.61 2.01 -1.26 -4.80 115.64 116.47 3ehu s THR 53 Ca 0.00 2.01 -0.20 0.00 0.31 0.00 0.00 61.69 63.81 3ehu s THR 53 Cb 0.00 -4.29 -0.01 0.00 0.01 0.00 0.00 72.50 68.21 3ehu s THR 53 CO 0.00 0.25 0.64 0.00 -0.69 0.00 0.00 174.62 174.82 3ehu s TRP 55 N 2.63 3.27 0.64 0.00 0.52 0.15 -4.98 118.94 121.17 3ehu s TRP 55 Ca 0.26 0.31 -0.12 0.00 0.02 0.00 0.00 56.10 56.58 3ehu s TRP 55 Cb -0.15 -2.46 -0.02 0.00 -1.15 0.00 0.00 33.47 29.69 3ehu s TRP 55 CO 0.12 -0.13 1.04 -1.25 0.02 0.00 0.00 176.95 176.75 3ehu s PRO 56 N 1.71 3.32 -0.29 4.98 0.04 -1.26 -0.74 135.00 142.76 3ehu s PRO 56 Ca 0.12 0.88 -0.39 0.00 0.04 0.00 0.00 61.00 61.65 3ehu s PRO 56 Cb -0.15 -2.04 -0.15 0.00 0.04 0.00 0.00 34.50 32.20 3ehu s PRO 56 CO 0.09 -0.79 1.86 -2.13 0.04 0.00 0.00 177.00 176.06 3ehu n ARG 57 N -2.79 1.16 -4.15 4.56 0.63 -1.26 -4.55 116.66 110.26 3ehu n ARG 57 Ca 0.07 0.41 -0.15 0.00 -0.92 0.00 0.00 57.85 57.26 3ehu n ARG 57 Cb 0.54 -2.18 -0.11 0.00 0.45 0.00 0.00 32.46 31.16 3ehu n ARG 57 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 3ehu s SER 58 N 4.40 1.35 0.47 6.15 0.01 -0.51 -4.95 113.70 120.62 3ehu s SER 58 Ca 1.01 -0.73 -0.23 0.00 1.31 0.00 0.00 55.95 57.32 3ehu s SER 58 Cb -1.03 0.01 -0.07 0.00 0.21 0.00 0.00 66.02 65.14 3ehu s SER 58 CO 0.62 -0.22 1.19 -2.84 0.41 0.00 0.00 173.24 172.40 3ehu s PRO 59 N -2.37 3.70 0.37 12.44 0.02 -1.26 -0.54 135.00 147.36 3ehu s PRO 59 Ca 0.01 1.83 -0.27 0.00 0.02 0.00 0.00 61.00 62.59 3ehu s PRO 59 Cb -0.05 -2.40 -0.10 0.00 0.02 0.00 0.00 34.50 31.97 3ehu s PRO 59 CO 0.00 -0.62 1.34 0.00 -0.33 0.00 0.00 177.00 177.40 3ehu s ALA 60 N -1.51 3.41 0.00 -1.55 0.00 -0.42 -3.45 121.76 118.25 3ehu s ALA 60 Ca 0.64 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.92 3ehu s ALA 60 Cb -0.30 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.31 3ehu s ALA 60 CO 0.36 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.72 3ehu n GLY 61 N 0.68 0.80 3.24 0.00 0.00 0.45 -4.81 105.19 105.54 3ehu n GLY 61 Ca 0.02 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 3ehu n GLY 61 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ehu s GLN 62 N -0.67 1.62 0.12 1.61 -0.21 -1.05 -4.93 119.66 116.16 3ehu s GLN 62 Ca 0.00 -0.81 -0.30 0.00 0.02 0.00 0.00 55.36 54.27 3ehu s GLN 62 Cb 0.00 -1.62 -0.06 0.00 1.00 0.00 0.00 33.01 32.33 3ehu s GLN 62 CO 0.00 0.44 0.95 -1.17 -2.12 0.00 0.00 175.29 173.39 3ehu s LEU 63 N -0.70 4.51 -0.02 2.90 2.96 -1.26 -1.01 118.68 126.05 3ehu s LEU 63 Ca 0.08 1.80 0.04 0.00 -0.22 0.00 0.00 54.13 55.83 3ehu s LEU 63 Cb -0.08 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 3ehu s LEU 63 CO -0.00 -0.04 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.16 3ehu s VAL 64 N -0.13 3.07 -0.13 1.68 1.01 0.15 -4.94 120.40 121.12 3ehu s VAL 64 Ca 0.46 -0.84 -0.00 0.00 0.00 0.00 0.00 61.98 61.59 3ehu s VAL 64 Cb -0.23 -2.24 0.02 0.00 0.00 0.00 0.00 36.38 33.93 3ehu s VAL 64 CO 0.30 0.50 -0.10 -0.69 0.00 0.00 0.00 175.10 175.11 3ehu s VAL 65 N -0.82 1.21 0.07 2.92 1.01 -1.26 -1.37 120.40 122.17 3ehu s VAL 65 Ca 0.13 -0.41 0.06 0.00 0.00 0.00 0.00 61.98 61.76 3ehu s VAL 65 Cb -0.11 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 3ehu s VAL 65 CO 0.03 0.40 -0.17 -0.13 0.00 0.00 0.00 175.10 175.23 3ehu s ARG 66 N 1.63 0.98 0.82 2.72 1.81 -0.95 -4.99 118.95 120.97 3ehu s ARG 66 Ca 0.05 -0.95 -0.11 0.00 -1.72 0.00 0.00 55.73 52.99 3ehu s ARG 66 Cb -0.13 -1.07 0.09 0.00 -0.45 0.00 0.00 34.95 33.40 3ehu s ARG 66 CO -0.09 0.25 1.14 -2.14 -0.68 0.00 0.00 175.30 173.78 3ehu s PRO 67 N -1.57 1.70 0.40 3.54 0.02 -1.26 -0.40 135.00 137.43 3ehu s PRO 67 Ca 0.02 1.45 -0.25 0.00 0.02 0.00 0.00 61.00 62.24 3ehu s PRO 67 Cb -0.09 -1.81 -0.08 0.00 0.02 0.00 0.00 34.50 32.53 3ehu s PRO 67 CO 0.02 -2.11 1.16 0.00 -0.33 0.00 0.00 177.00 175.75 3ehu n PRO 69 N 0.07 2.57 -0.17 0.00 -0.04 -1.26 -4.46 135.00 131.71 3ehu n PRO 69 Ca 0.04 0.91 -0.05 0.00 -0.04 0.00 0.00 63.50 64.36 3ehu n PRO 69 Cb 0.47 -2.64 0.05 0.00 -0.04 0.00 0.00 33.50 31.33 3ehu n PRO 69 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ehu h ALA 70 N 3.83 0.65 -3.97 0.55 0.00 -1.91 -3.37 119.26 115.05 3ehu h ALA 70 Ca -0.48 0.01 -0.46 0.00 0.00 0.00 0.00 54.91 53.99 3ehu h ALA 70 Cb 1.24 -0.09 -0.27 0.00 0.00 0.00 0.00 17.79 18.67 3ehu h ALA 70 CO 0.72 -0.06 -0.80 -0.59 0.00 0.00 0.00 179.25 178.52 3ehu s PHE 71 N -6.13 1.21 -0.22 0.00 -0.71 -1.25 -1.12 117.98 109.75 3ehu s PHE 71 Ca -0.13 -0.29 -0.04 0.00 -1.04 0.00 0.00 56.93 55.43 3ehu s PHE 71 Cb 0.13 -0.75 0.09 0.00 -1.21 0.00 0.00 43.02 41.28 3ehu s PHE 71 CO 0.74 0.01 0.15 0.12 -1.34 0.00 0.00 175.22 174.90 3ehu s PHE 72 N -0.58 0.03 -1.28 3.49 5.36 -0.44 -4.83 117.98 119.73 3ehu s PHE 72 Ca 0.03 -0.29 -0.04 0.00 -0.96 0.00 0.00 56.93 55.67 3ehu s PHE 72 Cb -0.06 -0.63 0.01 0.00 -0.34 0.00 0.00 43.02 41.99 3ehu s PHE 72 CO 0.00 -0.65 1.07 2.48 -1.46 0.00 0.00 175.22 176.66 3ehu n TYR 73 N 5.29 -2.49 -3.32 10.12 4.11 -1.26 -3.06 117.16 126.55 3ehu n TYR 73 Ca -0.06 0.97 -0.18 0.00 -0.00 0.00 0.00 57.90 58.63 3ehu n TYR 73 Cb 0.47 -5.02 0.06 0.00 -0.00 0.00 0.00 39.34 34.85 3ehu n TYR 73 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3ehu n GLY 74 N -1.54 -0.19 2.95 -7.48 0.00 -1.26 -5.03 105.19 92.63 3ehu n GLY 74 Ca -0.15 0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 3ehu n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ehu s VAL 75 N -3.25 0.81 0.29 1.61 1.01 -1.17 -5.12 120.40 114.58 3ehu s VAL 75 Ca 0.42 -0.28 -0.29 0.00 0.00 0.00 0.00 61.98 61.83 3ehu s VAL 75 Cb -0.18 -0.79 -0.10 0.00 0.00 0.00 0.00 36.38 35.31 3ehu s VAL 75 CO 0.56 0.29 1.31 0.00 0.00 0.00 0.00 175.10 177.26 3ehu s ARG 76 N 0.86 4.37 0.03 2.72 3.03 -1.26 -1.33 118.95 127.37 3ehu s ARG 76 Ca -0.12 2.17 0.01 0.00 2.03 0.00 0.00 55.73 59.82 3ehu s ARG 76 Cb -0.15 -3.11 -0.02 0.00 -1.03 0.00 0.00 34.95 30.64 3ehu s ARG 76 CO 0.01 -0.21 -0.05 0.71 -1.13 0.00 0.00 175.30 174.63 3ehu s TYR 77 N -0.70 0.45 -0.29 5.89 1.51 -0.28 -4.86 117.35 119.08 3ehu s TYR 77 Ca 0.52 -0.48 -0.29 0.00 -1.01 0.00 0.00 57.07 55.81 3ehu s TYR 77 Cb -0.39 -0.29 0.00 0.00 -0.11 0.00 0.00 41.96 41.18 3ehu s TYR 77 CO 0.47 -0.13 1.29 1.21 -1.11 0.00 0.00 175.55 177.29 3ehu s ASN 78 N -1.42 6.70 0.00 2.29 3.84 -1.26 -4.60 114.94 120.50 3ehu s ASN 78 Ca -0.12 1.23 0.21 0.00 0.21 0.00 0.00 52.86 54.39 3ehu s ASN 78 Cb -0.09 -2.54 1.26 0.00 -0.55 0.00 0.00 41.25 39.33 3ehu s ASN 78 CO -0.00 -1.05 1.75 0.35 -2.79 0.00 0.00 177.10 175.35 3ehu n THR 79 N 6.15 0.00 0.10 -5.21 -2.24 -1.26 -2.47 114.28 109.35 3ehu n THR 79 Ca 0.15 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.90 3ehu n THR 79 Cb 0.46 -0.42 0.01 0.00 -2.10 0.00 0.00 70.33 68.29 3ehu n THR 79 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3ehu h THR 80 N 0.00 1.43 -4.28 4.28 2.02 -1.91 -3.40 112.91 111.06 3ehu h THR 80 Ca 0.00 -2.75 -0.50 0.00 0.77 0.00 0.00 66.41 63.93 3ehu h THR 80 Cb 0.00 2.53 0.07 0.00 -1.74 0.00 0.00 68.15 69.02 3ehu h THR 80 CO 0.00 0.75 0.38 0.20 0.37 0.00 0.00 175.52 177.22 3ehu s ASN 81 N -6.67 5.74 0.19 4.18 0.01 -1.03 -4.99 114.94 112.38 3ehu s ASN 81 Ca 0.01 1.66 0.10 0.00 -0.71 0.00 0.00 52.86 53.91 3ehu s ASN 81 Cb 0.10 -2.51 -0.04 0.00 0.41 0.00 0.00 41.25 39.21 3ehu s ASN 81 CO 0.78 -1.20 -0.19 0.20 -1.51 0.00 0.00 177.10 175.18 3ehu s ASN 82 N -3.42 2.96 0.24 -1.22 0.01 -1.26 -1.81 114.94 110.44 3ehu s ASN 82 Ca 0.60 -0.91 0.07 0.00 -0.71 0.00 0.00 52.86 51.90 3ehu s ASN 82 Cb -0.14 -0.20 -0.04 0.00 0.41 0.00 0.00 41.25 41.29 3ehu s ASN 82 CO 0.46 -0.01 0.18 -0.83 -1.51 0.00 0.00 177.10 175.39 3ehu s GLY 83 N -2.89 1.45 -0.04 0.66 0.00 0.46 -4.50 107.32 102.47 3ehu s GLY 83 Ca 0.20 -1.41 0.02 0.00 0.00 0.00 0.00 44.72 43.53 3ehu s GLY 83 CO 0.09 -1.45 -0.10 -0.19 0.00 0.00 0.00 173.10 171.45 3ehu s TYR 84 N -2.10 1.06 -0.05 1.90 1.51 -0.61 -2.25 117.35 116.81 3ehu s TYR 84 Ca 0.33 -0.30 -0.03 0.00 -1.01 0.00 0.00 57.07 56.06 3ehu s TYR 84 Cb -0.08 -0.77 0.03 0.00 -0.11 0.00 0.00 41.96 41.02 3ehu s TYR 84 CO 0.25 -0.14 0.12 0.50 -1.11 0.00 0.00 175.55 175.16 3ehu s ARG 85 N 0.35 0.09 -0.13 -0.62 3.52 -0.47 -0.81 118.95 120.88 3ehu s ARG 85 Ca -0.06 0.27 -0.22 0.00 -0.13 0.00 0.00 55.73 55.59 3ehu s ARG 85 Cb -0.11 -0.09 -0.03 0.00 -1.56 0.00 0.00 34.95 33.16 3ehu s ARG 85 CO 0.01 -0.11 0.65 -2.00 -0.81 0.00 0.00 175.30 173.05 3ehu s GLU 86 N 0.72 4.32 -0.37 5.12 2.56 -1.26 0.34 118.70 130.13 3ehu s GLU 86 Ca -0.05 0.73 -0.25 0.00 0.00 0.00 0.00 54.97 55.40 3ehu s GLU 86 Cb -0.07 -3.51 0.01 0.00 2.00 0.00 0.00 34.13 32.56 3ehu s GLU 86 CO -0.03 -0.08 0.87 0.00 -0.56 0.00 0.00 175.26 175.46 3ehu s LEU 88 N 3.34 2.91 0.56 0.00 1.43 0.40 -0.41 118.68 126.90 3ehu s LEU 88 Ca 0.35 1.78 0.27 0.00 -1.03 0.00 0.00 54.13 55.50 3ehu s LEU 88 Cb -0.12 -4.43 1.47 0.00 0.03 0.00 0.00 46.19 43.14 3ehu s LEU 88 CO 0.18 -2.15 1.99 0.00 0.23 0.00 0.00 176.35 176.60 3ehu h ALA 89 N -1.21 2.28 -0.01 4.21 0.00 -1.87 -0.85 119.26 121.82 3ehu h ALA 89 Ca -0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3ehu h ALA 89 Cb 1.24 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3ehu h ALA 89 CO 0.52 -0.60 -0.01 0.27 0.00 0.00 0.00 179.25 179.42 3ehu n ASN 90 N -4.10 1.02 0.00 0.00 6.94 -1.26 -4.61 115.26 113.26 3ehu n ASN 90 Ca 0.08 -1.30 0.00 0.00 -0.02 0.00 0.00 54.58 53.33 3ehu n ASN 90 Cb 0.57 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.99 3ehu n ASN 90 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3ehu n GLY 91 N 1.13 0.61 3.90 4.83 0.00 -0.34 -4.89 105.19 110.44 3ehu n GLY 91 Ca 0.20 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 3ehu n GLY 91 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ehu s SER 92 N -2.18 6.29 0.32 1.61 0.01 -1.26 -3.81 113.70 114.68 3ehu s SER 92 Ca 0.00 0.27 -0.28 0.00 1.31 0.00 0.00 55.95 57.25 3ehu s SER 92 Cb 0.00 -1.93 -0.10 0.00 0.21 0.00 0.00 66.02 64.20 3ehu s SER 92 CO 0.00 0.20 1.18 0.26 0.41 0.00 0.00 173.24 175.29 3ehu s TRP 93 N -1.44 3.31 0.36 2.43 0.52 -1.26 -0.46 118.94 122.41 3ehu s TRP 93 Ca 0.32 1.58 -0.27 0.00 0.02 0.00 0.00 56.10 57.75 3ehu s TRP 93 Cb -0.13 -3.44 -0.12 0.00 -1.15 0.00 0.00 33.47 28.64 3ehu s TRP 93 CO 0.24 -1.13 1.18 0.00 0.02 0.00 0.00 176.95 177.27 3ehu n ALA 94 N 0.86 0.80 0.23 0.98 0.00 -0.29 -4.84 120.51 118.24 3ehu n ALA 94 Ca 0.00 0.32 0.06 0.00 0.00 0.00 0.00 53.44 53.83 3ehu n ALA 94 Cb 0.44 -2.18 0.52 0.00 0.00 0.00 0.00 19.45 18.23 3ehu n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ehu h ALA 95 N 2.16 1.62 -3.85 0.00 0.00 -1.94 -3.44 119.26 113.81 3ehu h ALA 95 Ca -0.45 -0.17 -0.68 0.00 0.00 0.00 0.00 54.91 53.60 3ehu h ALA 95 Cb 1.31 -0.03 -0.21 0.00 0.00 0.00 0.00 17.79 18.86 3ehu h ALA 95 CO 0.61 0.24 -0.75 0.50 0.00 0.00 0.00 179.25 179.85 3ehu s ARG 96 N -4.55 2.45 -0.09 0.00 3.52 -1.26 -5.09 118.95 113.93 3ehu s ARG 96 Ca -0.04 -0.75 -0.01 0.00 -0.13 0.00 0.00 55.73 54.81 3ehu s ARG 96 Cb 0.15 -2.40 -0.03 0.00 -1.56 0.00 0.00 34.95 31.12 3ehu s ARG 96 CO 0.69 0.60 -0.05 0.08 -0.81 0.00 0.00 175.30 175.81 3ehu s VAL 97 N -0.86 3.83 -0.56 7.11 1.01 -1.26 -4.69 120.40 124.97 3ehu s VAL 97 Ca 0.14 -0.42 -0.25 0.00 0.00 0.00 0.00 61.98 61.46 3ehu s VAL 97 Cb -0.11 -2.60 0.04 0.00 0.00 0.00 0.00 36.38 33.71 3ehu s VAL 97 CO 0.04 0.57 0.98 0.21 0.00 0.00 0.00 175.10 176.90 3ehu s ASN 98 N -0.51 6.35 0.00 3.32 3.84 0.01 -4.85 114.94 123.10 3ehu s ASN 98 Ca 0.08 -0.31 0.17 0.00 0.21 0.00 0.00 52.86 53.01 3ehu s ASN 98 Cb -0.12 -2.45 0.50 0.00 -0.55 0.00 0.00 41.25 38.63 3ehu s ASN 98 CO 0.02 -1.27 1.41 -1.22 -2.79 0.00 0.00 177.10 173.25 3ehu n TYR 99 N 7.61 0.75 -0.03 0.43 4.02 -1.26 -1.57 117.16 127.11 3ehu n TYR 99 Ca 0.02 -0.50 0.18 0.00 -0.01 0.00 0.00 57.90 57.60 3ehu n TYR 99 Cb 0.48 -0.01 0.64 0.00 -0.02 0.00 0.00 39.34 40.42 3ehu n TYR 99 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3ehu h SER 100 N 3.30 0.10 1.69 7.72 4.64 -1.89 -2.43 113.55 126.68 3ehu h SER 100 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ehu h SER 100 Cb 0.88 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 3ehu h SER 100 CO 0.00 0.05 -0.06 -0.33 -0.87 0.00 0.00 176.83 175.63 3ehu h GLU 101 N 0.11 0.00 -5.87 4.77 5.08 -1.84 -3.42 114.58 113.41 3ehu h GLU 101 Ca 0.27 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 58.22 3ehu h GLU 101 Cb 0.93 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.11 3ehu h GLU 101 CO -0.03 0.00 1.02 0.00 -1.00 0.00 0.00 179.01 179.00 3ehu s GLN 103 N 6.26 4.41 0.00 0.00 0.74 -1.26 -4.99 119.66 124.81 3ehu s GLN 103 Ca 0.61 1.19 0.29 0.00 0.05 0.00 0.00 55.36 57.51 3ehu s GLN 103 Cb -0.04 -2.56 1.35 0.00 1.10 0.00 0.00 33.01 32.85 3ehu s GLN 103 CO -0.04 0.17 1.91 0.39 -0.55 0.00 0.00 175.29 177.18