#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qpq s LEU 1503N 0.00 4.15 0.00 0.99 1.43 -1.26 -5.06 118.68 118.93 1qpq s LEU 1503Ca 0.00 1.69 -0.05 0.00 -1.03 0.00 0.00 54.13 54.75 1qpq s LEU 1503Cb 0.00 -4.21 0.14 0.00 0.03 0.00 0.00 46.19 42.15 1qpq s LEU 1503CO 0.00 -0.20 0.88 -1.54 0.23 0.00 0.00 176.35 175.72 1qpq n SER 1504N -0.02 0.72 -0.08 2.29 3.41 -1.26 -4.79 113.62 113.89 1qpq n SER 1504Ca 0.04 -1.71 -0.09 0.00 -0.26 0.00 0.00 58.87 56.84 1qpq n SER 1504Cb 0.52 -0.61 -0.02 0.00 -0.26 0.00 0.00 64.21 63.84 1qpq n SER 1504CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1qpq h ASP 1505N -0.79 0.33 -0.28 4.04 3.32 -1.98 0.13 116.42 121.19 1qpq h ASP 1505Ca -0.29 -0.04 -0.15 0.00 0.02 0.00 0.00 57.03 56.58 1qpq h ASP 1505Cb 0.95 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.41 1qpq h ASP 1505CO 0.26 0.27 -0.39 -0.25 -1.72 0.00 0.00 179.24 177.41 1qpq h TRP 1506N 0.36 0.94 -0.62 4.55 -0.00 -1.99 -2.53 115.95 116.67 1qpq h TRP 1506Ca 0.10 -0.31 -0.07 0.00 -0.00 0.00 0.00 58.89 58.61 1qpq h TRP 1506Cb -0.00 -0.19 -0.02 0.00 -0.00 0.00 0.00 29.16 28.95 1qpq h TRP 1506CO -0.05 1.09 0.11 0.93 -0.00 0.00 0.00 178.44 180.53 1qpq h GLU 1507N 0.52 1.01 -0.62 2.65 5.08 -1.89 0.09 114.58 121.42 1qpq h GLU 1507Ca 0.03 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 1qpq h GLU 1507Cb 0.99 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.09 1qpq h GLU 1507CO 0.09 0.94 0.34 1.25 -1.00 0.00 0.00 179.01 180.63 1qpq h LEU 1508N 0.92 0.78 -0.47 1.33 5.85 -0.77 0.46 115.31 123.41 1qpq h LEU 1508Ca 0.19 -0.10 -0.16 0.00 0.84 0.00 0.00 57.88 58.65 1qpq h LEU 1508Cb 0.41 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1qpq h LEU 1508CO 0.01 0.65 -0.45 0.00 -0.34 0.00 0.00 178.44 178.31 1qpq h ALA 1509N 1.16 0.65 -0.54 1.25 0.00 -1.19 -0.80 119.26 119.78 1qpq h ALA 1509Ca 0.22 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1qpq h ALA 1509Cb 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1qpq h ALA 1509CO -0.03 0.67 0.27 0.00 0.00 0.00 0.00 179.25 180.16 1qpq h ALA 1510N 0.88 0.70 0.60 0.00 0.00 -0.37 -1.95 119.26 119.13 1qpq h ALA 1510Ca 0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1qpq h ALA 1510Cb 1.01 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1qpq h ALA 1510CO 0.10 0.25 -0.36 0.00 0.00 0.00 0.00 179.25 179.24 1qpq h ALA 1511N 1.11 -0.92 -0.91 0.00 0.00 0.19 -0.82 119.26 117.90 1qpq h ALA 1511Ca 0.19 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 55.04 1qpq h ALA 1511Cb 0.10 0.44 -0.08 0.00 0.00 0.00 0.00 17.79 18.24 1qpq h ALA 1511CO -0.03 -1.03 0.54 0.00 0.00 0.00 0.00 179.25 178.73 1qpq h ARG 1512N -0.91 0.80 -0.40 0.00 3.08 -1.08 0.47 114.38 116.35 1qpq h ARG 1512Ca -0.07 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 1qpq h ARG 1512Cb 0.73 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 1qpq h ARG 1512CO 0.08 0.53 0.19 0.00 -1.07 0.00 0.00 179.97 179.71 1qpq h ALA 1513N 1.53 0.52 -0.11 0.04 0.00 -1.10 -0.91 119.26 119.23 1qpq h ALA 1513Ca 0.46 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1qpq h ALA 1513Cb 0.52 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1qpq h ALA 1513CO -0.29 0.08 0.03 0.00 0.00 0.00 0.00 179.25 179.07 1qpq h ALA 1514N 1.04 0.15 -0.74 0.00 0.00 0.36 -1.94 119.26 118.14 1qpq h ALA 1514Ca 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1qpq h ALA 1514Cb 0.12 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1qpq h ALA 1514CO -0.02 -0.22 0.47 -0.84 0.00 0.00 0.00 179.25 178.65 1qpq h ILE 1515N -0.02 1.19 -0.50 0.00 -0.00 -0.84 0.11 117.51 117.45 1qpq h ILE 1515Ca 0.04 -0.38 -0.05 0.00 -0.00 0.00 0.00 64.86 64.46 1qpq h ILE 1515Cb 0.25 0.13 -0.02 0.00 -0.00 0.00 0.00 36.82 37.18 1qpq h ILE 1515CO 0.00 0.19 0.09 0.00 -0.00 0.00 0.00 178.15 178.43 1qpq h ALA 1516N 1.52 1.22 -0.13 0.16 0.00 -0.93 -0.25 119.26 120.85 1qpq h ALA 1516Ca 0.27 -0.21 -0.20 0.00 0.00 0.00 0.00 54.91 54.77 1qpq h ALA 1516Cb -0.09 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1qpq h ALA 1516CO -0.06 0.53 -0.72 0.00 0.00 0.00 0.00 179.25 179.00 1qpq h ARG 1517N 0.74 0.60 0.49 0.00 3.08 -0.22 -2.40 114.38 116.68 1qpq h ARG 1517Ca 0.16 -0.47 -0.02 0.00 0.07 0.00 0.00 59.98 59.71 1qpq h ARG 1517Cb 0.32 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1qpq h ARG 1517CO 0.00 1.10 -0.24 0.78 -1.07 0.00 0.00 179.97 180.54 1qpq h GLY 1518N 0.94 -0.69 0.77 0.04 0.00 -0.09 -1.90 103.07 102.14 1qpq h GLY 1518Ca -0.03 0.26 0.06 0.00 0.00 0.00 0.00 47.33 47.61 1qpq h GLY 1518CO 0.14 -0.25 0.61 1.41 0.00 0.00 0.00 176.54 178.45 1qpq h LEU 1519N -0.67 0.98 -1.09 3.11 3.38 -1.11 -1.35 115.31 118.57 1qpq h LEU 1519Ca -0.07 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1qpq h LEU 1519Cb 0.51 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1qpq h LEU 1519CO 0.11 0.64 0.28 -0.78 0.09 0.00 0.00 178.44 178.78 1qpq h ASP 1520N 1.13 0.84 -0.92 -0.43 3.58 -1.21 0.16 116.42 119.56 1qpq h ASP 1520Ca 0.40 -0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.74 1qpq h ASP 1520Cb 0.12 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 40.92 1qpq h ASP 1520CO -0.16 0.73 0.54 -0.33 -2.88 0.00 0.00 179.24 177.15 1qpq h GLU 1521N 0.91 1.26 -0.24 0.28 5.08 -0.44 0.55 114.58 121.99 1qpq h GLU 1521Ca 0.22 -0.12 -0.19 0.00 -1.00 0.00 0.00 59.36 58.26 1qpq h GLU 1521Cb 0.14 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1qpq h GLU 1521CO -0.02 0.89 -0.61 -0.44 -1.00 0.00 0.00 179.01 177.83 1qpq h ASP 1522N 1.28 0.92 0.12 1.42 3.32 -0.82 -3.34 116.42 119.34 1qpq h ASP 1522Ca 0.33 -0.52 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1qpq h ASP 1522Cb -0.03 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.25 1qpq h ASP 1522CO -0.06 1.32 -0.43 0.18 -1.72 0.00 0.00 179.24 178.53 1qpq n LEU 1523N -3.98 1.42 -0.27 1.55 4.77 -0.05 -4.47 117.00 115.98 1qpq n LEU 1523Ca -0.05 -0.48 0.18 0.00 -0.03 0.00 0.00 56.01 55.63 1qpq n LEU 1523Cb 0.66 -0.07 0.47 0.00 -2.33 0.00 0.00 43.42 42.15 1qpq n LEU 1523CO 0.51 0.27 1.22 -0.09 -1.33 0.00 0.00 177.39 177.97 1qpq h ARG 1524N 1.56 0.47 -0.11 3.23 2.43 -1.01 -2.11 114.38 118.85 1qpq h ARG 1524Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1qpq h ARG 1524Cb 0.61 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1qpq h ARG 1524CO 0.00 0.31 0.00 0.66 -1.51 0.00 0.00 179.97 179.43 1qpq n TYR 1525N -4.56 0.12 0.00 2.20 4.02 -1.26 -5.04 117.16 112.64 1qpq n TYR 1525Ca 0.20 -0.06 0.00 0.00 -0.01 0.00 0.00 57.90 58.03 1qpq n TYR 1525Cb 0.68 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.00 1qpq n TYR 1525CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1qpq n GLY 1526N 1.24 1.65 3.80 2.72 0.00 -0.79 -5.11 105.19 108.69 1qpq n GLY 1526Ca 0.17 -1.94 -0.29 0.00 0.00 0.00 0.00 46.02 43.96 1qpq n GLY 1526CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qpq s PRO 1527N -1.31 1.17 -1.18 1.61 0.04 -1.26 -4.51 135.00 129.55 1qpq s PRO 1527Ca 0.00 0.23 -0.21 0.00 0.04 0.00 0.00 61.00 61.06 1qpq s PRO 1527Cb 0.00 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.64 1qpq s PRO 1527CO 0.00 -2.17 1.89 -3.47 0.04 0.00 0.00 177.00 173.30 1qpq n ASP 1528N -3.73 3.52 -0.33 6.66 -0.08 -1.26 -4.77 116.55 116.56 1qpq n ASP 1528Ca 0.07 -2.76 0.13 0.00 -1.51 0.00 0.00 54.79 50.72 1qpq n ASP 1528Cb 0.59 -1.68 0.34 0.00 2.34 0.00 0.00 41.12 42.72 1qpq n ASP 1528CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 1qpq h VAL 1529N 5.76 0.77 -0.50 5.18 3.04 -1.99 -1.95 116.25 126.55 1qpq h VAL 1529Ca 0.31 -0.26 -0.12 0.00 -1.01 0.00 0.00 66.70 65.62 1qpq h VAL 1529Cb 0.88 -0.05 -0.01 0.00 -2.01 0.00 0.00 31.29 30.10 1qpq h VAL 1529CO 1.38 0.14 -0.17 0.00 -1.01 0.00 0.00 177.57 177.91 1qpq h THR 1530N 0.75 1.27 0.00 3.17 1.03 -1.99 -1.11 112.91 116.03 1qpq h THR 1530Ca 0.53 -1.33 -0.11 0.00 -0.01 0.00 0.00 66.41 65.49 1qpq h THR 1530Cb 0.83 1.08 -0.02 0.00 -1.07 0.00 0.00 68.15 68.98 1qpq h THR 1530CO -0.30 0.46 -0.50 0.71 -0.01 0.00 0.00 175.52 175.88 1qpq h THR 1531N 0.85 0.90 -0.45 0.00 1.35 -1.88 -2.25 112.91 111.43 1qpq h THR 1531Ca 0.12 -2.17 -0.10 0.00 -0.55 0.00 0.00 66.41 63.71 1qpq h THR 1531Cb 0.75 2.37 -0.01 0.00 -1.73 0.00 0.00 68.15 69.53 1qpq h THR 1531CO 0.06 0.49 -0.11 -0.07 -0.25 0.00 0.00 175.52 175.64 1qpq h LEU 1532N 0.00 0.88 -0.65 3.87 4.07 -1.16 -0.20 115.31 122.13 1qpq h LEU 1532Ca -0.01 -0.36 -0.08 0.00 0.08 0.00 0.00 57.88 57.51 1qpq h LEU 1532Cb 1.33 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.82 1qpq h LEU 1532CO 0.07 1.04 -0.40 0.00 -1.08 0.00 0.00 178.44 178.07 1qpq h ALA 1533N 0.87 0.88 0.00 1.53 0.00 -1.18 -3.37 119.26 118.00 1qpq h ALA 1533Ca 0.12 -0.36 -0.28 0.00 0.00 0.00 0.00 54.91 54.38 1qpq h ALA 1533Cb 0.65 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1qpq h ALA 1533CO 0.04 0.50 -2.04 0.25 0.00 0.00 0.00 179.25 178.00 1qpq n THR 1534N -3.40 1.04 -4.07 0.00 -2.24 -0.85 -4.94 114.28 99.82 1qpq n THR 1534Ca 0.01 -0.62 -0.35 0.00 -2.27 0.00 0.00 64.05 60.81 1qpq n THR 1534Cb 0.58 -0.65 -0.14 0.00 -2.10 0.00 0.00 70.33 68.02 1qpq n THR 1534CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1qpq s VAL 1535N -2.37 3.47 0.69 2.28 0.11 -0.10 -5.08 120.40 119.41 1qpq s VAL 1535Ca -0.09 -0.47 -0.16 0.00 -2.93 0.00 0.00 61.98 58.33 1qpq s VAL 1535Cb 0.05 -2.56 0.02 0.00 -1.53 0.00 0.00 36.38 32.35 1qpq s VAL 1535CO 0.61 0.44 1.19 -2.16 -3.33 0.00 0.00 175.10 171.84 1qpq s PRO 1536N 1.20 2.40 0.49 1.54 0.04 -1.26 -4.66 135.00 134.75 1qpq s PRO 1536Ca 0.02 1.70 0.17 0.00 0.04 0.00 0.00 61.00 62.93 1qpq s PRO 1536Cb -0.14 -1.87 1.20 0.00 0.04 0.00 0.00 34.50 33.72 1qpq s PRO 1536CO -0.01 -1.62 2.06 0.00 0.04 0.00 0.00 177.00 177.48 1qpq h ALA 1537N -0.03 2.09 0.00 8.56 0.00 -1.95 -1.82 119.26 126.11 1qpq h ALA 1537Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1qpq h ALA 1537Cb 1.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1qpq h ALA 1537CO 0.51 -0.16 0.00 -1.13 0.00 0.00 0.00 179.25 178.47 1qpq n SER 1538N -4.48 0.52 -4.67 0.00 3.41 -1.26 -4.86 113.62 102.28 1qpq n SER 1538Ca 0.04 0.55 -0.37 0.00 -0.26 0.00 0.00 58.87 58.83 1qpq n SER 1538Cb 0.27 -0.69 0.07 0.00 -0.26 0.00 0.00 64.21 63.60 1qpq n SER 1538CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qpq n ALA 1539N -1.68 0.63 -3.27 7.33 0.00 -0.69 -4.92 120.51 117.90 1qpq n ALA 1539Ca 0.06 -0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.34 1qpq n ALA 1539Cb 0.39 -2.22 -0.10 0.00 0.00 0.00 0.00 19.45 17.52 1qpq n ALA 1539CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1qpq s THR 1540N -1.49 0.02 0.28 0.00 2.01 -1.26 -2.09 115.64 113.10 1qpq s THR 1540Ca 0.80 -0.16 -0.04 0.00 0.31 0.00 0.00 61.69 62.60 1qpq s THR 1540Cb -0.39 -0.58 -0.01 0.00 0.01 0.00 0.00 72.50 71.53 1qpq s THR 1540CO 0.44 -0.09 0.37 0.42 -0.69 0.00 0.00 174.62 175.07 1qpq s THR 1541N -0.36 0.00 -0.15 -0.82 -4.23 -0.82 -4.81 115.64 104.45 1qpq s THR 1541Ca -0.05 -1.69 -0.01 0.00 -1.18 0.00 0.00 61.69 58.76 1qpq s THR 1541Cb -0.03 -2.47 -0.02 0.00 1.34 0.00 0.00 72.50 71.32 1qpq s THR 1541CO 0.02 0.00 -0.10 -0.89 -0.54 0.00 0.00 174.62 173.12 1qpq s THR 1542N -3.66 3.32 0.10 3.99 2.01 -1.26 -1.26 115.64 118.89 1qpq s THR 1542Ca 0.31 -0.56 0.05 0.00 0.31 0.00 0.00 61.69 61.80 1qpq s THR 1542Cb 0.02 -2.42 -0.04 0.00 0.01 0.00 0.00 72.50 70.07 1qpq s THR 1542CO 0.16 0.51 -0.12 0.00 -0.69 0.00 0.00 174.62 174.47 1qpq s ALA 1543N 0.46 1.28 0.01 7.40 0.00 0.61 -4.65 121.76 126.87 1qpq s ALA 1543Ca -0.07 -1.20 0.04 0.00 0.00 0.00 0.00 51.96 50.73 1qpq s ALA 1543Cb -0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 1qpq s ALA 1543CO 0.04 0.05 -0.12 -1.12 0.00 0.00 0.00 175.76 174.61 1qpq s SER 1544N -2.33 1.41 -0.38 0.00 0.01 -0.25 -0.53 113.70 111.64 1qpq s SER 1544Ca 0.05 -0.33 -0.19 0.00 1.31 0.00 0.00 55.95 56.80 1qpq s SER 1544Cb -0.05 -0.12 0.01 0.00 0.21 0.00 0.00 66.02 66.07 1qpq s SER 1544CO 0.02 0.07 0.58 -0.76 0.41 0.00 0.00 173.24 173.56 1qpq s LEU 1545N -0.70 4.39 -0.02 2.44 2.01 -0.08 -0.08 118.68 126.64 1qpq s LEU 1545Ca 0.02 -0.10 0.06 0.00 0.01 0.00 0.00 54.13 54.12 1qpq s LEU 1545Cb -0.06 -2.67 -0.01 0.00 0.01 0.00 0.00 46.19 43.46 1qpq s LEU 1545CO 0.00 -0.60 -0.21 0.68 1.01 0.00 0.00 176.35 177.24 1qpq s VAL 1546N 2.58 1.64 0.39 -1.59 -7.23 0.78 -0.29 120.40 116.68 1qpq s VAL 1546Ca 0.21 -0.88 -0.24 0.00 -1.81 0.00 0.00 61.98 59.26 1qpq s VAL 1546Cb -0.15 -1.37 -0.09 0.00 0.56 0.00 0.00 36.38 35.33 1qpq s VAL 1546CO 0.15 0.47 1.01 0.42 -0.31 0.00 0.00 175.10 176.84 1qpq s THR 1547N -0.42 3.93 -2.14 5.32 -4.23 -0.43 -0.43 115.64 117.23 1qpq s THR 1547Ca 0.06 1.46 0.22 0.00 -1.18 0.00 0.00 61.69 62.26 1qpq s THR 1547Cb -0.09 -3.75 0.02 0.00 1.34 0.00 0.00 72.50 70.03 1qpq s THR 1547CO -0.00 -0.01 1.10 0.54 -0.54 0.00 0.00 174.62 175.71 1qpq n ARG 1548N -0.01 1.40 -4.01 3.99 3.00 0.61 -3.91 116.66 117.73 1qpq n ARG 1548Ca 0.05 -1.13 -0.09 0.00 -0.01 0.00 0.00 57.85 56.67 1qpq n ARG 1548Cb 0.50 -1.46 -0.06 0.00 0.00 0.00 0.00 32.46 31.45 1qpq n ARG 1548CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1qpq s GLU 1549N -2.36 1.53 0.34 5.56 -1.05 -1.24 -4.84 118.70 116.63 1qpq s GLU 1549Ca 0.19 -1.28 -0.11 0.00 -0.15 0.00 0.00 54.97 53.63 1qpq s GLU 1549Cb 0.18 0.46 -0.07 0.00 -0.44 0.00 0.00 34.13 34.26 1qpq s GLU 1549CO 0.52 -0.63 0.69 0.00 0.95 0.00 0.00 175.26 176.79 1qpq s ALA 1550N -4.02 3.42 0.00 -0.84 0.00 -1.26 -3.97 121.76 115.09 1qpq s ALA 1550Ca 0.23 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1qpq s ALA 1550Cb -0.00 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.50 1qpq s ALA 1550CO 0.09 0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.47 1qpq n GLY 1551N -0.81 -0.54 3.45 0.00 0.00 0.14 -4.97 105.19 102.46 1qpq n GLY 1551Ca 0.02 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.79 1qpq n GLY 1551CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qpq s VAL 1552N -3.00 3.17 -0.06 1.61 1.01 -1.26 0.86 120.40 122.74 1qpq s VAL 1552Ca 0.00 -0.65 -0.18 0.00 0.00 0.00 0.00 61.98 61.15 1qpq s VAL 1552Cb 0.00 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 1qpq s VAL 1552CO 0.00 0.56 0.49 0.54 0.00 0.00 0.00 175.10 176.69 1qpq s VAL 1553N -0.25 5.08 -0.05 2.92 0.11 -0.35 -4.23 120.40 123.64 1qpq s VAL 1553Ca 0.02 1.00 -0.06 0.00 -2.93 0.00 0.00 61.98 60.00 1qpq s VAL 1553Cb -0.13 -3.82 0.01 0.00 -1.53 0.00 0.00 36.38 30.91 1qpq s VAL 1553CO 0.03 0.41 0.16 0.00 -3.33 0.00 0.00 175.10 172.37 1qpq s ALA 1554N 0.01 -0.38 0.00 1.54 0.00 -1.26 0.15 121.76 121.81 1qpq s ALA 1554Ca 0.27 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.53 1qpq s ALA 1554Cb -0.16 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.79 1qpq s ALA 1554CO 0.13 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.19 1qpq n GLY 1555N 2.60 0.98 0.24 0.00 0.00 -1.26 -3.69 105.19 104.05 1qpq n GLY 1555Ca -0.15 -0.35 0.01 0.00 0.00 0.00 0.00 46.02 45.53 1qpq n GLY 1555CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1qpq h LEU 1556N 0.00 0.29 -1.33 0.99 5.85 -1.96 -1.92 115.31 117.23 1qpq h LEU 1556Ca 0.00 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 1qpq h LEU 1556Cb 0.09 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1qpq h LEU 1556CO 0.00 0.47 -0.31 0.44 -0.34 0.00 0.00 178.44 178.70 1qpq h ASP 1557N 0.28 0.00 0.78 1.25 3.32 -1.98 -0.96 116.42 119.11 1qpq h ASP 1557Ca 0.05 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 1qpq h ASP 1557Cb 0.45 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.99 1qpq h ASP 1557CO 0.03 0.31 -0.17 0.58 -1.72 0.00 0.00 179.24 178.27 1qpq h VAL 1558N 0.00 0.47 0.09 -1.35 2.07 -1.76 0.40 116.25 116.17 1qpq h VAL 1558Ca -0.00 -0.88 -0.00 0.00 0.82 0.00 0.00 66.70 66.64 1qpq h VAL 1558Cb 0.64 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1qpq h VAL 1558CO 0.04 0.16 -0.04 0.00 0.02 0.00 0.00 177.57 177.75 1qpq h ALA 1559N 1.83 -0.12 -0.51 1.67 0.00 -1.13 -2.67 119.26 118.34 1qpq h ALA 1559Ca -0.00 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.73 1qpq h ALA 1559Cb 0.60 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 1qpq h ALA 1559CO 0.02 -0.31 0.21 -0.07 0.00 0.00 0.00 179.25 179.10 1qpq h LEU 1560N -0.64 0.24 -2.43 0.00 -0.00 -1.05 -0.89 115.31 110.54 1qpq h LEU 1560Ca -0.01 0.05 0.01 0.00 -0.00 0.00 0.00 57.88 57.93 1qpq h LEU 1560Cb 0.52 0.02 -0.00 0.00 -0.00 0.00 0.00 40.66 41.20 1qpq h LEU 1560CO 0.02 0.17 0.04 -0.07 -0.00 0.00 0.00 178.44 178.60 1qpq h LEU 1561N 0.40 0.00 -0.16 1.67 3.38 -0.93 -1.42 115.31 118.25 1qpq h LEU 1561Ca 0.24 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.98 1qpq h LEU 1561Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1qpq h LEU 1561CO -0.22 0.00 -0.95 0.74 0.09 0.00 0.00 178.44 178.10 1qpq h THR 1562N 0.00 1.40 -0.18 0.22 2.02 -0.80 -2.61 112.91 112.96 1qpq h THR 1562Ca 0.02 -2.46 -0.13 0.00 0.77 0.00 0.00 66.41 64.60 1qpq h THR 1562Cb 0.10 2.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 1qpq h THR 1562CO -0.00 0.73 -0.41 -0.07 0.37 0.00 0.00 175.52 176.14 1qpq h LEU 1563N 0.23 0.66 -0.81 2.58 4.07 -1.17 -1.60 115.31 119.27 1qpq h LEU 1563Ca -0.08 -0.57 0.16 0.00 0.08 0.00 0.00 57.88 57.47 1qpq h LEU 1563Cb 1.59 -0.19 -0.10 0.00 1.08 0.00 0.00 40.66 43.04 1qpq h LEU 1563CO 0.17 1.11 0.37 0.78 -1.08 0.00 0.00 178.44 179.78 1qpq h ASN 1564N 0.25 0.38 -0.13 -0.43 2.35 -1.29 2.15 115.58 118.86 1qpq h ASN 1564Ca -0.00 0.11 -0.15 0.00 -0.55 0.00 0.00 56.30 55.71 1qpq h ASN 1564Cb 1.02 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.45 1qpq h ASN 1564CO 0.09 0.13 -0.46 -0.08 -1.65 0.00 0.00 177.43 175.47 1qpq h GLU 1565N 0.51 0.69 0.02 0.81 4.57 -1.37 -1.43 114.58 118.37 1qpq h GLU 1565Ca 0.46 -0.38 -0.21 0.00 -1.18 0.00 0.00 59.36 58.04 1qpq h GLU 1565Cb 0.71 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.30 1qpq h GLU 1565CO -0.41 1.00 -1.14 0.28 -1.18 0.00 0.00 179.01 177.56 1qpq h VAL 1566N 0.55 1.03 0.00 0.32 2.07 0.09 -3.41 116.25 116.90 1qpq h VAL 1566Ca 0.03 -2.23 0.00 0.00 0.82 0.00 0.00 66.70 65.32 1qpq h VAL 1566Cb 1.00 2.44 0.00 0.00 -1.52 0.00 0.00 31.29 33.21 1qpq h VAL 1566CO 0.09 0.42 -1.88 0.18 0.02 0.00 0.00 177.57 176.40 1qpq n LEU 1567N -4.36 0.11 0.00 2.57 4.77 0.71 -4.99 117.00 115.80 1qpq n LEU 1567Ca -0.29 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 1qpq n LEU 1567Cb 0.69 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 1qpq n LEU 1567CO 0.24 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 1qpq n GLY 1568N 1.26 -0.33 0.37 -0.72 0.00 -0.54 -3.82 105.19 101.42 1qpq n GLY 1568Ca -0.03 -1.61 0.07 0.00 0.00 0.00 0.00 46.02 44.45 1qpq n GLY 1568CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1qpq h THR 1569N 0.00 0.93 -0.61 2.61 2.02 -1.88 -0.36 112.91 115.63 1qpq h THR 1569Ca 0.00 -0.33 -0.27 0.00 0.77 0.00 0.00 66.41 66.58 1qpq h THR 1569Cb 0.00 -0.12 -0.16 0.00 -1.74 0.00 0.00 68.15 66.13 1qpq h THR 1569CO 0.00 0.17 0.35 0.59 0.37 0.00 0.00 175.52 177.00 1qpq n ASN 1570N -4.59 3.64 -0.45 4.18 3.02 -1.26 -4.03 115.26 115.76 1qpq n ASN 1570Ca 0.18 -2.98 0.09 0.00 -0.03 0.00 0.00 54.58 51.84 1qpq n ASN 1570Cb 0.35 -0.71 0.01 0.00 -0.61 0.00 0.00 39.78 38.83 1qpq n ASN 1570CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qpq n GLY 1571N -0.38 0.05 3.71 7.41 0.00 -0.14 -5.02 105.19 110.82 1qpq n GLY 1571Ca 0.35 -0.52 -0.08 0.00 0.00 0.00 0.00 46.02 45.77 1qpq n GLY 1571CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qpq s TYR 1572N -1.99 -0.16 -0.02 1.61 1.13 -1.26 -3.85 117.35 112.80 1qpq s TYR 1572Ca 0.16 -0.23 0.01 0.00 -1.41 0.00 0.00 57.07 55.60 1qpq s TYR 1572Cb 0.15 0.57 0.01 0.00 -1.10 0.00 0.00 41.96 41.59 1qpq s TYR 1572CO 0.42 -1.10 -0.04 0.50 -2.51 0.00 0.00 175.55 172.82 1qpq s ARG 1573N -3.90 0.58 -0.33 -3.49 3.52 -0.17 -5.00 118.95 110.16 1qpq s ARG 1573Ca 0.11 -0.12 -0.15 0.00 -0.13 0.00 0.00 55.73 55.44 1qpq s ARG 1573Cb -0.04 -0.61 -0.02 0.00 -1.56 0.00 0.00 34.95 32.73 1qpq s ARG 1573CO 0.03 0.00 0.35 0.08 -0.81 0.00 0.00 175.30 174.95 1qpq s VAL 1574N 0.46 5.18 -0.02 7.11 1.01 -1.26 -0.79 120.40 132.08 1qpq s VAL 1574Ca -0.05 0.09 -0.05 0.00 0.00 0.00 0.00 61.98 61.96 1qpq s VAL 1574Cb -0.09 -3.79 -0.28 0.00 0.00 0.00 0.00 36.38 32.21 1qpq s VAL 1574CO -0.00 -0.05 0.75 -0.07 0.00 0.00 0.00 175.10 175.73 1qpq h LEU 1575N 8.71 0.45 -7.14 3.92 4.07 -1.37 -3.48 115.31 120.46 1qpq h LEU 1575Ca -0.30 -0.67 -0.07 0.00 0.08 0.00 0.00 57.88 56.91 1qpq h LEU 1575Cb 1.15 -0.15 -0.19 0.00 1.08 0.00 0.00 40.66 42.55 1qpq h LEU 1575CO 0.68 1.57 0.07 -0.62 -1.08 0.00 0.00 178.44 179.05 1qpq s ASP 1576N -7.04 -0.53 0.09 -0.43 2.15 -0.85 -4.97 116.67 105.09 1qpq s ASP 1576Ca -0.12 0.52 -0.24 0.00 0.43 0.00 0.00 52.55 53.13 1qpq s ASP 1576Cb 0.06 0.48 0.06 0.00 -0.30 0.00 0.00 42.92 43.23 1qpq s ASP 1576CO 0.85 -0.58 0.59 0.00 -0.17 0.00 0.00 175.17 175.85 1qpq s ARG 1577N -1.35 1.17 0.30 4.34 1.70 -1.26 0.27 118.95 124.12 1qpq s ARG 1577Ca -0.11 -0.28 0.06 0.00 -0.47 0.00 0.00 55.73 54.93 1qpq s ARG 1577Cb -0.01 0.54 -0.02 0.00 -0.57 0.00 0.00 34.95 34.88 1qpq s ARG 1577CO 0.07 -0.46 0.37 0.54 -1.08 0.00 0.00 175.30 174.74 1qpq s VAL 1578N -2.94 4.31 0.31 4.99 0.11 -0.11 -4.96 120.40 122.11 1qpq s VAL 1578Ca -0.03 -1.13 -0.12 0.00 -2.93 0.00 0.00 61.98 57.77 1qpq s VAL 1578Cb -0.01 -3.47 -0.08 0.00 -1.53 0.00 0.00 36.38 31.29 1qpq s VAL 1578CO -0.06 -0.23 0.68 -1.61 -3.33 0.00 0.00 175.10 170.55 1qpq s GLU 1579N -4.04 3.88 0.31 1.54 0.41 -1.26 -4.99 118.70 114.55 1qpq s GLU 1579Ca 0.40 0.48 -0.29 0.00 -0.41 0.00 0.00 54.97 55.15 1qpq s GLU 1579Cb -0.08 -2.49 -0.10 0.00 -1.78 0.00 0.00 34.13 29.67 1qpq s GLU 1579CO 0.29 0.17 1.36 -0.51 -0.49 0.00 0.00 175.26 176.08 1qpq s ASP 1580N -2.51 6.70 0.00 -0.19 1.11 -1.26 -2.63 116.67 117.89 1qpq s ASP 1580Ca 0.51 2.71 0.00 0.00 0.18 0.00 0.00 52.55 55.95 1qpq s ASP 1580Cb -0.10 -2.64 0.00 0.00 1.07 0.00 0.00 42.92 41.24 1qpq s ASP 1580CO 0.22 -0.61 0.00 0.61 1.18 0.00 0.00 175.17 176.56 1qpq n GLY 1581N 1.23 0.45 3.73 0.21 0.00 0.40 -4.99 105.19 106.22 1qpq n GLY 1581Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1qpq n GLY 1581CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qpq s ALA 1582N -2.11 3.31 -0.11 4.61 0.00 -1.08 -4.73 121.76 121.66 1qpq s ALA 1582Ca 0.00 0.71 -0.28 0.00 0.00 0.00 0.00 51.96 52.39 1qpq s ALA 1582Cb 0.00 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.77 1qpq s ALA 1582CO 0.00 -0.17 0.95 1.03 0.00 0.00 0.00 175.76 177.58 1qpq s ARG 1583N 0.00 4.41 0.03 0.00 1.81 -1.26 -1.21 118.95 122.73 1qpq s ARG 1583Ca 0.50 1.29 0.05 0.00 -1.72 0.00 0.00 55.73 55.85 1qpq s ARG 1583Cb -0.27 -3.54 -0.02 0.00 -0.45 0.00 0.00 34.95 30.68 1qpq s ARG 1583CO 0.32 -0.27 -0.15 0.08 -0.68 0.00 0.00 175.30 174.59 1qpq s VAL 1584N 1.89 1.21 0.54 3.52 1.01 0.25 -4.97 120.40 123.85 1qpq s VAL 1584Ca 0.46 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 1qpq s VAL 1584Cb -0.18 -1.06 0.02 0.00 0.00 0.00 0.00 36.38 35.16 1qpq s VAL 1584CO 0.18 0.13 0.80 -2.16 0.00 0.00 0.00 175.10 174.04 1qpq s PRO 1585N -0.91 2.76 0.00 2.72 0.04 -1.26 -0.68 135.00 137.67 1qpq s PRO 1585Ca 0.04 -0.45 0.00 0.00 0.04 0.00 0.00 61.00 60.63 1qpq s PRO 1585Cb -0.07 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 32.04 1qpq s PRO 1585CO 0.01 -0.62 0.39 -2.30 0.04 0.00 0.00 177.00 174.51 1qpq n PRO 1586N -2.38 0.00 -0.11 0.56 -0.02 -1.25 -2.56 135.00 129.23 1qpq n PRO 1586Ca 0.05 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1qpq n PRO 1586Cb 0.59 -0.84 0.00 0.00 -0.02 0.00 0.00 33.50 33.22 1qpq n PRO 1586CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qpq n GLY 1587N -0.82 1.76 3.73 -1.23 0.00 -1.25 -3.85 105.19 103.52 1qpq n GLY 1587Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1qpq n GLY 1587CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qpq s GLU 1588N 0.24 4.59 -0.52 1.61 2.56 -1.06 -4.80 118.70 121.33 1qpq s GLU 1588Ca 0.00 1.67 -0.21 0.00 0.00 0.00 0.00 54.97 56.43 1qpq s GLU 1588Cb 0.00 -3.30 0.05 0.00 2.00 0.00 0.00 34.13 32.87 1qpq s GLU 1588CO 0.00 0.06 0.76 0.00 -0.56 0.00 0.00 175.26 175.52 1qpq s ALA 1589N -0.04 3.29 0.26 6.30 0.00 -1.26 -1.32 121.76 128.99 1qpq s ALA 1589Ca 0.50 -1.47 0.02 0.00 0.00 0.00 0.00 51.96 51.02 1qpq s ALA 1589Cb -0.28 -3.50 0.34 0.00 0.00 0.00 0.00 23.12 19.67 1qpq s ALA 1589CO 0.33 -2.13 1.65 -0.07 0.00 0.00 0.00 175.76 175.55 1qpq h LEU 1590N 10.22 0.44 -7.00 0.00 3.38 -1.03 -3.44 115.31 117.88 1qpq h LEU 1590Ca -0.27 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 1qpq h LEU 1590Cb 1.09 -0.12 -0.22 0.00 0.09 0.00 0.00 40.66 41.49 1qpq h LEU 1590CO 1.01 0.79 0.18 -0.32 0.09 0.00 0.00 178.44 180.18 1qpq s MET 1591N -4.25 0.73 -0.09 1.13 0.00 -1.19 -0.93 119.30 114.70 1qpq s MET 1591Ca -0.06 0.96 0.04 0.00 0.00 0.00 0.00 55.69 56.63 1qpq s MET 1591Cb 0.13 0.30 -0.00 0.00 0.00 0.00 0.00 34.83 35.26 1qpq s MET 1591CO 0.80 -0.10 -0.23 0.99 0.00 0.00 0.00 175.02 176.47 1qpq s THR 1592N 0.68 1.99 0.20 10.11 2.01 0.14 -0.91 115.64 129.87 1qpq s THR 1592Ca -0.02 -0.99 -0.02 0.00 0.31 0.00 0.00 61.69 60.97 1qpq s THR 1592Cb -0.05 -1.72 -0.04 0.00 0.01 0.00 0.00 72.50 70.71 1qpq s THR 1592CO -0.06 0.55 0.16 -1.48 -0.69 0.00 0.00 174.62 173.10 1qpq s LEU 1593N 0.26 1.10 -0.10 4.42 0.05 0.31 -0.91 118.68 123.82 1qpq s LEU 1593Ca -0.16 -1.34 0.01 0.00 0.05 0.00 0.00 54.13 52.69 1qpq s LEU 1593Cb -0.17 0.50 0.02 0.00 -2.05 0.00 0.00 46.19 44.49 1qpq s LEU 1593CO 0.08 -0.86 -0.11 -0.70 -0.55 0.00 0.00 176.35 174.20 1qpq s GLU 1594N -4.14 1.76 0.21 1.48 2.12 0.03 -0.28 118.70 119.86 1qpq s GLU 1594Ca 0.37 -0.38 -0.19 0.00 0.36 0.00 0.00 54.97 55.12 1qpq s GLU 1594Cb 0.06 -1.60 0.03 0.00 0.26 0.00 0.00 34.13 32.89 1qpq s GLU 1594CO 0.11 -0.12 0.57 0.00 -0.54 0.00 0.00 175.26 175.29 1qpq s ALA 1595N 1.18 -1.09 0.24 6.30 0.00 -0.39 -1.00 121.76 126.99 1qpq s ALA 1595Ca -0.04 -0.13 -0.31 0.00 0.00 0.00 0.00 51.96 51.48 1qpq s ALA 1595Cb -0.14 0.86 -0.12 0.00 0.00 0.00 0.00 23.12 23.73 1qpq s ALA 1595CO -0.03 -0.84 1.66 -1.14 0.00 0.00 0.00 175.76 175.40 1qpq s GLN 1596N -3.86 4.13 0.16 0.00 0.74 -1.25 -1.95 119.66 117.64 1qpq s GLN 1596Ca 0.08 2.57 -0.15 0.00 0.05 0.00 0.00 55.36 57.92 1qpq s GLN 1596Cb -0.02 -3.06 0.04 0.00 1.10 0.00 0.00 33.01 31.07 1qpq s GLN 1596CO -0.03 -0.69 1.80 1.15 -0.55 0.00 0.00 175.29 176.98 1qpq h THR 1597N 3.66 1.14 -0.78 -0.34 2.02 -1.74 -2.71 112.91 114.18 1qpq h THR 1597Ca -0.45 -0.32 0.05 0.00 0.77 0.00 0.00 66.41 66.47 1qpq h THR 1597Cb 1.21 0.49 -0.05 0.00 -1.74 0.00 0.00 68.15 68.05 1qpq h THR 1597CO 0.89 0.15 0.47 0.03 0.37 0.00 0.00 175.52 177.43 1qpq h ARG 1598N 0.65 0.86 -0.60 6.66 3.08 -1.85 -1.89 114.38 121.29 1qpq h ARG 1598Ca 0.17 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.11 1qpq h ARG 1598Cb -0.02 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.81 1qpq h ARG 1598CO -0.03 0.57 0.12 0.78 -1.07 0.00 0.00 179.97 180.34 1qpq h GLY 1599N 0.89 1.02 0.82 0.04 0.00 -1.90 -2.50 103.07 101.44 1qpq h GLY 1599Ca 0.33 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 1qpq h GLY 1599CO -0.15 0.59 -0.03 1.41 0.00 0.00 0.00 176.54 178.36 1qpq h LEU 1600N 0.91 -0.06 -1.51 3.11 3.38 -1.09 -2.16 115.31 117.89 1qpq h LEU 1600Ca 0.19 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1qpq h LEU 1600Cb 0.36 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1qpq h LEU 1600CO 0.00 0.13 0.20 -0.07 0.09 0.00 0.00 178.44 178.80 1qpq h LEU 1601N -0.25 0.47 -0.08 1.67 4.07 -1.19 0.20 115.31 120.20 1qpq h LEU 1601Ca -0.01 -0.03 -0.25 0.00 0.08 0.00 0.00 57.88 57.68 1qpq h LEU 1601Cb 0.22 -0.12 0.02 0.00 1.08 0.00 0.00 40.66 41.86 1qpq h LEU 1601CO 0.01 0.39 -0.92 0.74 -1.08 0.00 0.00 178.44 177.58 1qpq h THR 1602N 0.54 1.28 0.00 0.22 2.02 -1.44 -3.29 112.91 112.23 1qpq h THR 1602Ca 0.14 -2.13 -0.14 0.00 0.77 0.00 0.00 66.41 65.05 1qpq h THR 1602Cb 0.03 2.20 -0.02 0.00 -1.74 0.00 0.00 68.15 68.62 1qpq h THR 1602CO -0.02 0.67 -0.69 0.00 0.37 0.00 0.00 175.52 175.85 1qpq h ALA 1603N 0.48 0.71 -0.19 6.16 0.00 -0.88 -3.40 119.26 122.14 1qpq h ALA 1603Ca -0.09 -0.63 0.02 0.00 0.00 0.00 0.00 54.91 54.21 1qpq h ALA 1603Cb 1.56 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 1qpq h ALA 1603CO 0.18 0.86 -0.11 -1.91 0.00 0.00 0.00 179.25 178.27 1qpq n GLU 1604N -3.50 -0.09 -0.27 0.00 2.13 0.66 -1.30 120.64 118.28 1qpq n GLU 1604Ca -0.00 0.79 -0.03 0.00 0.66 0.00 0.00 57.16 58.57 1qpq n GLU 1604Cb 0.73 -1.17 0.08 0.00 0.27 0.00 0.00 31.44 31.35 1qpq n GLU 1604CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1qpq h ARG 1605N 0.00 0.91 -0.73 5.31 9.65 -1.81 0.23 114.38 127.94 1qpq h ARG 1605Ca 0.03 -0.05 -0.05 0.00 -1.10 0.00 0.00 59.98 58.81 1qpq h ARG 1605Cb 0.08 -0.21 -0.03 0.00 -1.39 0.00 0.00 29.97 28.42 1qpq h ARG 1605CO -0.18 0.60 0.26 1.15 2.80 0.00 0.00 179.97 184.60 1qpq h THR 1606N 0.94 1.26 0.02 0.20 2.02 -1.73 0.36 112.91 115.98 1qpq h THR 1606Ca 0.29 -0.85 -0.00 0.00 0.77 0.00 0.00 66.41 66.62 1qpq h THR 1606Cb -0.02 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 66.82 1qpq h THR 1606CO -0.10 0.34 -0.01 -0.03 0.37 0.00 0.00 175.52 176.09 1qpq h MET 1607N 1.07 -0.03 -0.63 6.66 1.85 -0.67 -2.89 114.93 120.29 1qpq h MET 1607Ca 0.24 0.00 -0.05 0.00 -0.61 0.00 0.00 59.70 59.28 1qpq h MET 1607Cb 0.26 0.01 -0.03 0.00 0.43 0.00 0.00 31.60 32.27 1qpq h MET 1607CO -0.01 0.33 0.19 -0.07 -0.40 0.00 0.00 176.91 176.95 1qpq h LEU 1608N -0.39 0.89 -0.52 3.39 4.07 -0.46 -2.52 115.31 119.77 1qpq h LEU 1608Ca -0.00 -0.15 -0.00 0.00 0.08 0.00 0.00 57.88 57.80 1qpq h LEU 1608Cb 0.37 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 41.85 1qpq h LEU 1608CO 0.00 0.84 0.31 0.78 -1.08 0.00 0.00 178.44 179.29 1qpq h ASN 1609N 0.92 0.63 0.47 -0.43 2.35 -0.96 0.25 115.58 118.83 1qpq h ASN 1609Ca 0.21 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.87 1qpq h ASN 1609Cb 0.27 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1qpq h ASN 1609CO -0.01 0.51 -0.23 -0.07 -1.65 0.00 0.00 177.43 175.99 1qpq h LEU 1610N 0.70 -0.54 -1.11 1.61 -0.00 -1.34 -2.12 115.31 112.51 1qpq h LEU 1610Ca 0.19 -0.08 -0.07 0.00 -0.00 0.00 0.00 57.88 57.91 1qpq h LEU 1610Cb 0.00 0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 40.78 1qpq h LEU 1610CO -0.03 -0.17 -0.18 -0.37 -0.00 0.00 0.00 178.44 177.68 1qpq h VAL 1611N -0.96 1.23 -0.05 1.22 -1.51 -1.52 0.76 116.25 115.43 1qpq h VAL 1611Ca -0.06 -1.07 0.01 0.00 -1.23 0.00 0.00 66.70 64.35 1qpq h VAL 1611Cb 0.59 1.26 -0.01 0.00 -2.13 0.00 0.00 31.29 31.00 1qpq h VAL 1611CO 0.11 0.34 -0.01 1.23 -1.23 0.00 0.00 177.57 178.00 1qpq h GLY 1612N 0.94 0.03 0.88 5.19 0.00 -1.00 0.38 103.07 109.50 1qpq h GLY 1612Ca 0.07 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 1qpq h GLY 1612CO 0.03 -0.02 -0.05 0.84 0.00 0.00 0.00 176.54 177.35 1qpq h HIS 1613N -0.00 -0.13 -0.08 5.60 6.17 -0.77 0.56 115.15 126.49 1qpq h HIS 1613Ca 0.02 -0.00 -0.05 0.00 0.71 0.00 0.00 60.37 61.05 1qpq h HIS 1613Cb 0.04 0.04 -0.01 0.00 2.52 0.00 0.00 27.41 30.00 1qpq h HIS 1613CO -0.11 0.02 -0.20 -0.07 0.71 0.00 0.00 177.93 178.28 1qpq h LEU 1614N -0.26 0.13 -0.39 0.26 3.38 -0.75 -1.79 115.31 115.89 1qpq h LEU 1614Ca -0.01 -0.03 -0.18 0.00 0.09 0.00 0.00 57.88 57.75 1qpq h LEU 1614Cb 0.21 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1qpq h LEU 1614CO 0.02 0.34 -0.81 0.28 0.09 0.00 0.00 178.44 178.37 1qpq h SER 1615N 0.13 0.18 -0.54 -0.43 0.02 0.04 -2.44 113.55 110.51 1qpq h SER 1615Ca 0.02 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1qpq h SER 1615Cb 0.43 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 1qpq h SER 1615CO 0.03 0.91 0.35 1.23 -1.14 0.00 0.00 176.83 178.21 1qpq h GLY 1616N 1.94 0.75 0.95 -3.77 0.00 -0.09 -0.33 103.07 102.51 1qpq h GLY 1616Ca -0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 1qpq h GLY 1616CO 0.12 0.28 -0.07 -2.22 0.00 0.00 0.00 176.54 174.64 1qpq h ILE 1617N 0.73 0.88 -0.95 2.60 2.04 -1.20 -1.57 117.51 120.04 1qpq h ILE 1617Ca 0.20 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.95 1qpq h ILE 1617Cb -0.08 0.96 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 1qpq h ILE 1617CO -0.04 0.03 0.63 0.00 0.00 0.00 0.00 178.15 178.76 1qpq h ALA 1618N 0.58 1.33 0.12 1.87 0.00 -1.26 -0.59 119.26 121.31 1qpq h ALA 1618Ca -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1qpq h ALA 1618Cb 0.20 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1qpq h ALA 1618CO 0.03 0.62 -0.06 1.15 0.00 0.00 0.00 179.25 181.00 1qpq h THR 1619N 1.28 0.93 -0.36 0.00 2.02 -0.83 0.59 112.91 116.54 1qpq h THR 1619Ca 0.35 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.36 1qpq h THR 1619Cb -0.14 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 1qpq h THR 1619CO -0.08 0.04 0.16 0.00 0.37 0.00 0.00 175.52 176.02 1qpq h ALA 1620N 0.65 0.46 0.00 6.16 0.00 -0.94 -1.66 119.26 123.92 1qpq h ALA 1620Ca -0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1qpq h ALA 1620Cb 0.18 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1qpq h ALA 1620CO 0.03 0.03 -0.15 0.00 0.00 0.00 0.00 179.25 179.15 1qpq h THR 1621N 0.43 1.02 0.00 0.00 1.03 -0.96 -0.63 112.91 113.81 1qpq h THR 1621Ca 0.12 -0.54 -0.10 0.00 -0.01 0.00 0.00 66.41 65.89 1qpq h THR 1621Cb 0.13 1.30 -0.01 0.00 -1.07 0.00 0.00 68.15 68.50 1qpq h THR 1621CO -0.01 0.15 -0.47 0.00 -0.01 0.00 0.00 175.52 175.18 1qpq h ALA 1622N 1.85 1.15 -0.32 0.00 0.00 0.03 -2.10 119.26 119.86 1qpq h ALA 1622Ca -0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.38 1qpq h ALA 1622Cb 0.28 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1qpq h ALA 1622CO 0.02 0.59 -0.19 0.00 0.00 0.00 0.00 179.25 179.66 1qpq h ALA 1623N 1.53 0.46 -0.51 0.00 0.00 -0.50 -1.27 119.26 118.98 1qpq h ALA 1623Ca -0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1qpq h ALA 1623Cb 0.87 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1qpq h ALA 1623CO 0.06 0.40 0.18 -1.49 0.00 0.00 0.00 179.25 178.40 1qpq h TRP 1624N 0.46 0.79 -0.20 0.00 4.06 -1.27 -0.94 115.95 118.85 1qpq h TRP 1624Ca 0.07 -0.07 0.02 0.00 2.06 0.00 0.00 58.89 60.97 1qpq h TRP 1624Cb 0.74 -0.23 -0.02 0.00 -1.00 0.00 0.00 29.16 28.64 1qpq h TRP 1624CO 0.06 0.67 0.07 0.28 -3.56 0.00 0.00 178.44 175.97 1qpq h VAL 1625N 0.68 0.96 -0.30 1.49 2.07 -1.30 -1.46 116.25 118.39 1qpq h VAL 1625Ca 0.17 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.58 1qpq h VAL 1625Cb 0.23 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1qpq h VAL 1625CO -0.01 0.03 -0.00 0.44 0.02 0.00 0.00 177.57 178.05 1qpq h ASP 1626N 0.17 0.42 -0.89 0.57 3.32 -1.05 -2.84 116.42 116.12 1qpq h ASP 1626Ca 0.09 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 1qpq h ASP 1626Cb 0.05 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 1qpq h ASP 1626CO -0.09 0.49 0.48 0.00 -1.72 0.00 0.00 179.24 178.41 1qpq h ALA 1627N 1.57 1.14 -0.53 3.45 0.00 -0.18 -2.99 119.26 121.72 1qpq h ALA 1627Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1qpq h ALA 1627Cb 0.29 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1qpq h ALA 1627CO 0.01 0.65 0.00 1.33 0.00 0.00 0.00 179.25 181.24 1qpq n VAL 1628N -4.34 1.77 -1.85 0.00 0.24 -0.70 -4.38 118.33 109.07 1qpq n VAL 1628Ca 0.09 -1.05 -0.41 0.00 -2.04 0.00 0.00 64.34 60.94 1qpq n VAL 1628Cb 0.10 -0.04 -0.01 0.00 -1.47 0.00 0.00 33.84 32.42 1qpq n VAL 1628CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1qpq s ARG 1629N -1.99 4.15 0.00 7.34 3.52 -1.12 -2.61 118.95 128.24 1qpq s ARG 1629Ca 0.44 2.51 0.00 0.00 -0.13 0.00 0.00 55.73 58.55 1qpq s ARG 1629Cb 0.30 -3.00 0.00 0.00 -1.56 0.00 0.00 34.95 30.69 1qpq s ARG 1629CO 0.19 -0.50 0.00 0.41 -0.81 0.00 0.00 175.30 174.59 1qpq n GLY 1630N 0.89 0.50 3.17 8.12 0.00 -1.26 -5.04 105.19 111.58 1qpq n GLY 1630Ca 0.02 -0.89 -0.11 0.00 0.00 0.00 0.00 46.02 45.05 1qpq n GLY 1630CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qpq s THR 1631N -2.00 0.23 -0.94 2.61 2.01 -1.07 -5.04 115.64 111.44 1qpq s THR 1631Ca 0.00 -1.93 0.25 0.00 0.31 0.00 0.00 61.69 60.32 1qpq s THR 1631Cb 0.00 -2.07 0.01 0.00 0.01 0.00 0.00 72.50 70.46 1qpq s THR 1631CO 0.00 -0.46 1.41 2.29 -0.69 0.00 0.00 174.62 177.16 1qpq n LYS 1632N -0.13 0.04 -1.84 4.92 2.85 -1.26 -4.96 118.16 117.78 1qpq n LYS 1632Ca -0.06 0.01 -0.39 0.00 -1.05 0.00 0.00 58.31 56.82 1qpq n LYS 1632Cb 0.64 -1.53 0.03 0.00 -0.65 0.00 0.00 35.03 33.52 1qpq n LYS 1632CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1qpq s ALA 1633N -3.03 3.02 0.12 0.58 0.00 -1.25 -4.93 121.76 116.28 1qpq s ALA 1633Ca 0.10 1.35 0.10 0.00 0.00 0.00 0.00 51.96 53.51 1qpq s ALA 1633Cb 0.17 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 1qpq s ALA 1633CO 0.70 -1.22 -0.21 0.15 0.00 0.00 0.00 175.76 175.18 1qpq s LYS 1634N -2.67 1.66 -0.14 0.00 3.01 -0.63 -4.95 119.74 116.02 1qpq s LYS 1634Ca 0.66 -1.23 -0.15 0.00 -1.01 0.00 0.00 55.97 54.23 1qpq s LYS 1634Cb -0.41 -2.04 -0.04 0.00 -1.01 0.00 0.00 37.83 34.32 1qpq s LYS 1634CO 0.50 0.47 0.36 0.42 0.51 0.00 0.00 175.35 177.61 1qpq s ILE 1635N -1.11 5.26 0.13 2.17 -1.09 -1.26 -0.72 121.20 124.57 1qpq s ILE 1635Ca 0.17 0.70 0.06 0.00 -2.23 0.00 0.00 60.65 59.35 1qpq s ILE 1635Cb -0.10 -3.70 -0.04 0.00 -1.58 0.00 0.00 42.46 37.04 1qpq s ILE 1635CO 0.09 0.37 -0.14 -0.13 -1.23 0.00 0.00 174.94 173.91 1qpq s ARG 1636N 0.46 1.05 0.00 2.79 0.52 0.49 -0.15 118.95 124.11 1qpq s ARG 1636Ca 0.20 -1.30 0.00 0.00 -0.52 0.00 0.00 55.73 54.12 1qpq s ARG 1636Cb -0.14 -0.89 0.00 0.00 0.52 0.00 0.00 34.95 34.45 1qpq s ARG 1636CO 0.06 0.16 0.00 -0.40 0.02 0.00 0.00 175.30 175.15 1qpq n ASP 1637N 0.36 0.00 -0.80 0.23 5.68 -1.22 -0.56 116.55 120.25 1qpq n ASP 1637Ca -0.14 -0.74 0.00 0.00 -0.50 0.00 0.00 54.79 53.41 1qpq n ASP 1637Cb 0.58 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.56 1qpq n ASP 1637CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1qpq n THR 1638N -0.87 0.00 -0.44 2.12 -2.24 -1.26 -4.44 114.28 107.14 1qpq n THR 1638Ca 0.00 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.84 1qpq n THR 1638Cb 0.00 0.00 0.32 0.00 -2.10 0.00 0.00 70.33 68.55 1qpq n THR 1638CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1qpq n ARG 1639N 0.00 3.89 -2.60 -0.78 1.74 -1.26 -4.62 116.66 113.03 1qpq n ARG 1639Ca 0.00 -2.51 -0.43 0.00 -0.77 0.00 0.00 57.85 54.14 1qpq n ARG 1639Cb 0.00 -2.02 0.01 0.00 -1.02 0.00 0.00 32.46 29.43 1qpq n ARG 1639CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1qpq n LYS 1640N 0.65 4.01 -4.14 5.56 5.02 -1.26 -4.91 118.16 123.08 1qpq n LYS 1640Ca 0.22 -3.95 -0.26 0.00 -2.02 0.00 0.00 58.31 52.30 1qpq n LYS 1640Cb 0.94 -2.75 -0.06 0.00 -0.02 0.00 0.00 35.03 33.14 1qpq n LYS 1640CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1qpq s THR 1641N -0.97 2.02 0.03 -0.18 -4.23 -1.26 -3.03 115.64 108.01 1qpq s THR 1641Ca 0.36 -1.68 -0.09 0.00 -1.18 0.00 0.00 61.69 59.11 1qpq s THR 1641Cb 0.08 -2.69 -0.05 0.00 1.34 0.00 0.00 72.50 71.18 1qpq s THR 1641CO 0.04 0.00 0.33 -0.76 -0.54 0.00 0.00 174.62 173.70 1qpq s LEU 1642N -4.00 4.37 -0.04 4.79 2.01 -1.26 -4.97 118.68 119.58 1qpq s LEU 1642Ca 0.35 0.70 -0.31 0.00 0.01 0.00 0.00 54.13 54.87 1qpq s LEU 1642Cb 0.02 -2.76 -0.10 0.00 0.01 0.00 0.00 46.19 43.36 1qpq s LEU 1642CO 0.20 0.24 1.98 -0.81 1.01 0.00 0.00 176.35 178.96 1qpq n PRO 1643N 1.16 2.49 0.00 1.29 -0.04 -1.26 -1.35 135.00 137.29 1qpq n PRO 1643Ca -0.11 0.89 0.00 0.00 -0.04 0.00 0.00 63.50 64.25 1qpq n PRO 1643Cb 0.53 -2.89 0.00 0.00 -0.04 0.00 0.00 33.50 31.10 1qpq n PRO 1643CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qpq n GLY 1644N 4.68 0.99 0.11 0.55 0.00 -1.26 -4.90 105.19 105.36 1qpq n GLY 1644Ca 0.23 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.26 1qpq n GLY 1644CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qpq n LEU 1645N 0.00 1.38 -0.18 0.99 4.77 -0.45 -4.80 117.00 118.71 1qpq n LEU 1645Ca 0.00 -1.16 -0.03 0.00 -0.03 0.00 0.00 56.01 54.79 1qpq n LEU 1645Cb 0.00 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.12 1qpq n LEU 1645CO 0.00 0.32 0.74 -0.09 -1.33 0.00 0.00 177.39 177.03 1qpq h ARG 1646N 0.50 -0.03 -0.84 3.23 2.43 -1.89 0.21 114.38 117.98 1qpq h ARG 1646Ca 0.00 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1qpq h ARG 1646Cb 0.18 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 1qpq h ARG 1646CO 0.00 -0.02 0.56 0.00 -1.51 0.00 0.00 179.97 179.00 1qpq h ALA 1647N 1.46 1.40 -0.06 2.80 0.00 -1.93 0.44 119.26 123.37 1qpq h ALA 1647Ca 0.26 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1qpq h ALA 1647Cb 0.43 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1qpq h ALA 1647CO -0.58 0.56 -0.32 -0.07 0.00 0.00 0.00 179.25 178.84 1qpq h LEU 1648N 1.14 0.39 -0.96 0.00 3.38 -1.59 -2.21 115.31 115.47 1qpq h LEU 1648Ca 0.31 -0.65 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 1qpq h LEU 1648Cb -0.13 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 1qpq h LEU 1648CO -0.07 0.98 0.36 1.56 0.09 0.00 0.00 178.44 181.36 1qpq h GLN 1649N -0.17 1.11 -0.72 1.13 4.20 -0.41 -0.51 115.11 119.74 1qpq h GLN 1649Ca -0.02 -0.16 -0.05 0.00 0.06 0.00 0.00 58.65 58.47 1qpq h GLN 1649Cb 0.97 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.52 1qpq h GLN 1649CO 0.07 0.86 0.24 0.87 -0.67 0.00 0.00 178.83 180.19 1qpq h LYS 1650N 1.10 1.11 -0.24 1.46 6.56 -0.94 -2.12 116.57 123.50 1qpq h LYS 1650Ca 0.26 -0.22 -0.02 0.00 -1.06 0.00 0.00 60.65 59.61 1qpq h LYS 1650Cb 0.12 -0.17 -0.01 0.00 -0.57 0.00 0.00 32.23 31.61 1qpq h LYS 1650CO -0.03 0.93 0.08 -0.92 -2.06 0.00 0.00 179.45 177.45 1qpq h TYR 1651N 1.07 0.37 -0.57 -1.35 3.20 -0.71 -2.62 116.97 116.36 1qpq h TYR 1651Ca 0.24 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 1qpq h TYR 1651Cb 0.28 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 1qpq h TYR 1651CO 0.02 0.42 0.23 0.00 -1.64 0.00 0.00 178.16 177.18 1qpq h ALA 1652N 0.91 1.33 -0.25 1.82 0.00 -0.85 -0.73 119.26 121.49 1qpq h ALA 1652Ca 0.08 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 1qpq h ALA 1652Cb 0.21 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1qpq h ALA 1652CO -0.00 0.50 -0.40 -0.39 0.00 0.00 0.00 179.25 178.96 1qpq h VAL 1653N 0.82 1.30 -0.46 0.00 -1.51 -1.26 -1.83 116.25 113.31 1qpq h VAL 1653Ca 0.19 -1.56 -0.00 0.00 -1.23 0.00 0.00 66.70 64.10 1qpq h VAL 1653Cb 0.16 1.54 -0.02 0.00 -2.13 0.00 0.00 31.29 30.84 1qpq h VAL 1653CO -0.02 0.49 0.28 -0.09 -1.23 0.00 0.00 177.57 177.01 1qpq h ARG 1654N 0.48 0.63 -0.65 5.19 2.43 -1.10 -0.80 114.38 120.56 1qpq h ARG 1654Ca 0.04 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.23 1qpq h ARG 1654Cb 0.90 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.28 1qpq h ARG 1654CO 0.08 0.45 0.43 1.15 -1.51 0.00 0.00 179.97 180.57 1qpq h THR 1655N 0.62 0.98 -0.00 0.20 2.02 -0.72 -1.72 112.91 114.29 1qpq h THR 1655Ca 0.17 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1qpq h THR 1655Cb -0.02 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 1qpq h THR 1655CO -0.03 0.11 -0.14 0.61 0.37 0.00 0.00 175.52 176.44 1qpq n GLY 1656N -1.47 -1.02 0.00 2.16 0.00 -0.72 -4.56 105.19 99.57 1qpq n GLY 1656Ca 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1qpq n GLY 1656CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qpq n GLY 1657N 1.33 1.04 3.96 -0.02 0.00 -0.65 -3.68 105.19 107.17 1qpq n GLY 1657Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 1qpq n GLY 1657CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qpq s GLY 1658N -0.77 1.76 -0.06 -0.02 0.00 -0.35 -4.78 107.32 103.10 1qpq s GLY 1658Ca 0.00 -1.40 0.05 0.00 0.00 0.00 0.00 44.72 43.38 1qpq s GLY 1658CO 0.00 -0.79 -0.23 -1.34 0.00 0.00 0.00 173.10 170.74 1qpq s VAL 1659N -3.42 1.89 0.59 1.40 -7.23 0.79 -4.17 120.40 110.24 1qpq s VAL 1659Ca 0.68 -0.96 -0.19 0.00 -1.81 0.00 0.00 61.98 59.70 1qpq s VAL 1659Cb -0.06 -1.62 -0.04 0.00 0.56 0.00 0.00 36.38 35.23 1qpq s VAL 1659CO 0.47 0.53 1.19 0.20 -0.31 0.00 0.00 175.10 177.18 1qpq s ASN 1660N 0.02 5.29 0.00 4.85 0.01 -1.26 -3.37 114.94 120.47 1qpq s ASN 1660Ca -0.07 2.33 0.00 0.00 -0.71 0.00 0.00 52.86 54.40 1qpq s ASN 1660Cb -0.14 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 38.92 1qpq s ASN 1660CO 0.05 -1.52 0.00 1.57 -1.51 0.00 0.00 177.10 175.68 1qpq n HIS 1661N -1.58 0.00 -1.73 2.20 -0.00 -1.26 -4.86 115.22 108.00 1qpq n HIS 1661Ca 0.13 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 57.98 1qpq n HIS 1661Cb 0.50 0.00 0.05 0.00 -0.12 0.00 0.00 29.99 30.42 1qpq n HIS 1661CO 0.00 0.00 0.00 -0.98 0.46 0.00 0.00 176.34 175.82 1qpq s ARG 1662N 3.08 2.78 0.05 1.57 1.70 -1.26 -4.94 118.95 121.94 1qpq s ARG 1662Ca 0.00 1.36 0.23 0.00 -0.47 0.00 0.00 55.73 56.85 1qpq s ARG 1662Cb 0.00 -1.95 0.18 0.00 -0.57 0.00 0.00 34.95 32.60 1qpq s ARG 1662CO 0.00 -1.26 1.15 1.28 -1.08 0.00 0.00 175.30 175.39 1qpq n LEU 1663N -2.49 0.63 0.00 -1.89 4.77 -1.26 -4.80 117.00 111.96 1qpq n LEU 1663Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1qpq n LEU 1663Cb 0.52 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1qpq n LEU 1663CO 0.48 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1qpq n GLY 1664N 1.39 2.02 0.17 -0.72 0.00 -1.26 -5.03 105.19 101.77 1qpq n GLY 1664Ca 0.03 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 1qpq n GLY 1664CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qpq h LEU 1665N 0.00 0.55 0.00 0.99 4.07 -1.95 -3.31 115.31 115.66 1qpq h LEU 1665Ca 0.00 -0.42 0.00 0.00 0.08 0.00 0.00 57.88 57.54 1qpq h LEU 1665Cb 0.00 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 41.57 1qpq h LEU 1665CO 0.00 1.20 -0.76 0.61 -1.08 0.00 0.00 178.44 178.41 1qpq n GLY 1666N 0.84 -1.26 0.22 0.83 0.00 -1.26 -4.24 105.19 100.33 1qpq n GLY 1666Ca -0.06 -0.36 -0.01 0.00 0.00 0.00 0.00 46.02 45.59 1qpq n GLY 1666CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1qpq h ASP 1667N 0.00 -0.25 -5.01 1.61 1.82 -1.96 -3.45 116.42 109.17 1qpq h ASP 1667Ca 0.00 0.14 0.05 0.00 -0.39 0.00 0.00 57.03 56.83 1qpq h ASP 1667Cb 0.64 0.25 -0.08 0.00 0.68 0.00 0.00 39.33 40.82 1qpq h ASP 1667CO 0.00 -0.10 0.26 0.00 -1.61 0.00 0.00 179.24 177.80 1qpq s ALA 1668N -6.16 -1.43 -0.01 -0.78 0.00 -1.26 -4.76 121.76 107.36 1qpq s ALA 1668Ca -0.13 0.08 -0.11 0.00 0.00 0.00 0.00 51.96 51.79 1qpq s ALA 1668Cb 0.18 0.82 -0.05 0.00 0.00 0.00 0.00 23.12 24.06 1qpq s ALA 1668CO 0.73 -0.93 0.33 0.00 0.00 0.00 0.00 175.76 175.89 1qpq s ALA 1669N -3.75 3.76 -0.23 0.00 0.00 0.37 -4.84 121.76 117.07 1qpq s ALA 1669Ca 0.07 -0.39 -0.04 0.00 0.00 0.00 0.00 51.96 51.61 1qpq s ALA 1669Cb -0.04 -2.23 0.09 0.00 0.00 0.00 0.00 23.12 20.94 1qpq s ALA 1669CO -0.01 0.55 0.14 -1.17 0.00 0.00 0.00 175.76 175.26 1qpq s LEU 1670N -1.30 0.33 -0.45 0.00 0.20 -1.26 -1.81 118.68 114.39 1qpq s LEU 1670Ca 0.24 -0.85 -0.28 0.00 0.69 0.00 0.00 54.13 53.93 1qpq s LEU 1670Cb -0.15 -0.16 0.03 0.00 -0.43 0.00 0.00 46.19 45.48 1qpq s LEU 1670CO 0.12 -0.39 1.08 -0.63 -0.29 0.00 0.00 176.35 176.25 1qpq s ILE 1671N 2.16 4.32 0.64 6.68 1.01 -0.60 -4.98 121.20 130.43 1qpq s ILE 1671Ca 0.06 1.20 0.06 0.00 0.00 0.00 0.00 60.65 61.98 1qpq s ILE 1671Cb -0.16 -4.53 0.12 0.00 0.01 0.00 0.00 42.46 37.89 1qpq s ILE 1671CO -0.22 -0.88 0.89 0.29 0.00 0.00 0.00 174.94 175.01 1qpq n LYS 1672N 7.52 0.35 -0.16 2.79 5.02 -1.26 -1.32 118.16 131.10 1qpq n LYS 1672Ca 0.11 -3.03 -0.01 0.00 -2.02 0.00 0.00 58.31 53.36 1qpq n LYS 1672Cb 0.49 -0.40 0.24 0.00 -0.02 0.00 0.00 35.03 35.34 1qpq n LYS 1672CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 1qpq h ASP 1673N -0.15 0.79 0.94 4.39 2.03 -1.95 -2.01 116.42 120.46 1qpq h ASP 1673Ca -0.30 -0.07 0.00 0.00 -0.73 0.00 0.00 57.03 55.93 1qpq h ASP 1673Cb 1.26 -0.20 0.00 0.00 -0.83 0.00 0.00 39.33 39.56 1qpq h ASP 1673CO 0.38 0.66 0.00 0.78 -1.03 0.00 0.00 179.24 180.03 1qpq h ASN 1674N 0.88 0.00 0.00 4.15 2.35 -2.00 -3.13 115.58 117.83 1qpq h ASN 1674Ca 0.22 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.87 1qpq h ASN 1674Cb 0.06 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1qpq h ASN 1674CO -0.03 0.00 -0.64 0.45 -1.65 0.00 0.00 177.43 175.55 1qpq h HIS 1675N 0.00 0.00 -0.98 1.19 3.86 -1.76 -3.31 115.15 114.15 1qpq h HIS 1675Ca 0.00 0.00 0.30 0.00 -1.16 0.00 0.00 60.37 59.51 1qpq h HIS 1675Cb 0.47 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 28.79 1qpq h HIS 1675CO 0.00 0.90 0.51 0.28 0.86 0.00 0.00 177.93 180.48 1qpq h VAL 1676N -1.00 0.33 0.12 2.45 2.07 -1.51 0.16 116.25 118.86 1qpq h VAL 1676Ca -0.15 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1qpq h VAL 1676Cb 0.92 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1qpq h VAL 1676CO -0.09 0.06 -0.10 0.00 0.02 0.00 0.00 177.57 177.46 1qpq h ALA 1677N 1.83 -0.20 -0.58 1.67 0.00 -1.69 0.61 119.26 120.89 1qpq h ALA 1677Ca 0.69 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.54 1qpq h ALA 1677Cb 1.53 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.42 1qpq h ALA 1677CO -0.60 -0.63 0.25 0.00 0.00 0.00 0.00 179.25 178.27 1qpq h ALA 1678N 0.64 0.75 0.00 0.00 0.00 -1.27 -1.78 119.26 117.60 1qpq h ALA 1678Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1qpq h ALA 1678Cb 0.21 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1qpq h ALA 1678CO -0.01 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.58 1qpq n ALA 1679N -2.35 2.07 0.00 0.00 0.00 0.41 -4.89 120.51 115.75 1qpq n ALA 1679Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1qpq n ALA 1679Cb 0.15 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1qpq n ALA 1679CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qpq n GLY 1680N 0.91 2.71 3.37 0.00 0.00 0.21 -4.53 105.19 107.86 1qpq n GLY 1680Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 1qpq n GLY 1680CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qpq s SER 1681N -0.67 -0.40 0.05 1.61 0.15 -1.03 -4.90 113.70 108.50 1qpq s SER 1681Ca 0.00 0.24 -0.24 0.00 0.70 0.00 0.00 55.95 56.65 1qpq s SER 1681Cb 0.00 0.45 -0.17 0.00 -1.71 0.00 0.00 66.02 64.59 1qpq s SER 1681CO 0.00 -0.63 1.55 0.58 1.20 0.00 0.00 173.24 175.95 1qpq h VAL 1682N 3.09 1.13 -0.49 4.45 2.07 -1.91 -0.44 116.25 124.15 1qpq h VAL 1682Ca -0.30 -0.43 -0.06 0.00 0.82 0.00 0.00 66.70 66.73 1qpq h VAL 1682Cb 1.19 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.36 1qpq h VAL 1682CO 0.41 0.11 0.08 0.58 0.02 0.00 0.00 177.57 178.77 1qpq h VAL 1683N -0.20 1.22 0.59 2.57 2.07 -1.97 -0.89 116.25 119.65 1qpq h VAL 1683Ca -0.00 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 1qpq h VAL 1683Cb 0.20 0.76 0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1qpq h VAL 1683CO 0.00 0.31 -0.29 0.44 0.02 0.00 0.00 177.57 178.06 1qpq h ASP 1684N 0.74 -0.68 -0.71 0.57 3.32 -1.83 0.20 116.42 118.03 1qpq h ASP 1684Ca 0.16 -0.01 0.11 0.00 0.02 0.00 0.00 57.03 57.31 1qpq h ASP 1684Cb 0.33 0.17 -0.08 0.00 0.22 0.00 0.00 39.33 39.98 1qpq h ASP 1684CO 0.00 -0.43 0.32 0.00 -1.72 0.00 0.00 179.24 177.42 1qpq h ALA 1685N -0.52 0.99 0.17 3.45 0.00 -0.94 0.38 119.26 122.79 1qpq h ALA 1685Ca -0.08 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1qpq h ALA 1685Cb 0.64 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1qpq h ALA 1685CO 0.13 -0.13 -0.08 1.25 0.00 0.00 0.00 179.25 180.43 1qpq h LEU 1686N 0.52 -0.19 -0.58 0.00 6.46 -0.97 -0.44 115.31 120.11 1qpq h LEU 1686Ca 0.37 -0.03 0.03 0.00 -0.12 0.00 0.00 57.88 58.13 1qpq h LEU 1686Cb 0.47 0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.41 1qpq h LEU 1686CO -0.32 -0.10 0.34 0.03 -0.62 0.00 0.00 178.44 177.77 1qpq h ARG 1687N -0.27 0.64 -0.52 1.25 2.47 0.86 -0.25 114.38 118.56 1qpq h ARG 1687Ca -0.02 -0.04 0.04 0.00 -1.26 0.00 0.00 59.98 58.70 1qpq h ARG 1687Cb 0.21 -0.14 -0.04 0.00 -1.65 0.00 0.00 29.97 28.34 1qpq h ARG 1687CO 0.04 0.42 0.27 0.00 0.56 0.00 0.00 179.97 181.26 1qpq h ALA 1688N 1.27 0.67 -0.25 0.04 0.00 -0.00 -0.52 119.26 120.46 1qpq h ALA 1688Ca 0.24 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 1qpq h ALA 1688Cb 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1qpq h ALA 1688CO -0.12 -0.07 -0.42 0.28 0.00 0.00 0.00 179.25 178.92 1qpq h VAL 1689N 0.53 1.30 -0.89 0.00 2.07 -0.71 -1.80 116.25 116.74 1qpq h VAL 1689Ca 0.23 -1.60 0.01 0.00 0.82 0.00 0.00 66.70 66.16 1qpq h VAL 1689Cb 0.12 1.57 -0.05 0.00 -1.52 0.00 0.00 31.29 31.41 1qpq h VAL 1689CO -0.15 0.51 0.59 0.03 0.02 0.00 0.00 177.57 178.57 1qpq h ARG 1690N 0.49 1.16 -0.26 1.57 2.47 -0.01 0.26 114.38 120.06 1qpq h ARG 1690Ca 0.04 -0.07 -0.16 0.00 -1.26 0.00 0.00 59.98 58.53 1qpq h ARG 1690Cb 0.94 -0.26 -0.01 0.00 -1.65 0.00 0.00 29.97 28.99 1qpq h ARG 1690CO 0.08 0.77 -0.49 -0.91 0.56 0.00 0.00 179.97 179.98 1qpq h ASN 1691N 1.19 0.77 0.13 7.04 2.35 -0.97 -2.59 115.58 123.50 1qpq h ASN 1691Ca 0.33 -0.39 -0.30 0.00 -0.55 0.00 0.00 56.30 55.39 1qpq h ASN 1691Cb -0.12 -0.22 0.03 0.00 0.05 0.00 0.00 38.32 38.06 1qpq h ASN 1691CO -0.08 1.13 -1.26 0.00 -1.65 0.00 0.00 177.43 175.57 1qpq h ALA 1692N 0.89 -0.02 -1.94 -0.83 0.00 -0.61 -3.40 119.26 113.35 1qpq h ALA 1692Ca 0.03 -0.78 -0.54 0.00 0.00 0.00 0.00 54.91 53.62 1qpq h ALA 1692Cb 1.05 0.12 -0.37 0.00 0.00 0.00 0.00 17.79 18.59 1qpq h ALA 1692CO 0.10 0.69 -1.03 0.00 0.00 0.00 0.00 179.25 179.01 1qpq n ALA 1693N -2.68 2.21 0.31 0.00 0.00 0.84 -4.95 120.51 116.24 1qpq n ALA 1693Ca -0.14 -3.17 0.16 0.00 0.00 0.00 0.00 53.44 50.30 1qpq n ALA 1693Cb 1.00 -0.84 0.72 0.00 0.00 0.00 0.00 19.45 20.32 1qpq n ALA 1693CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1qpq h PRO 1694N 4.38 0.00 0.00 0.00 0.13 -1.61 -2.51 132.00 132.39 1qpq h PRO 1694Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1qpq h PRO 1694Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1qpq h PRO 1694CO 0.42 0.00 -0.92 0.38 -0.23 0.00 0.00 178.00 177.66 1qpq h ASP 1695N 0.00 0.00 -3.69 1.44 2.03 -1.92 -3.48 116.42 110.80 1qpq h ASP 1695Ca 0.00 -0.04 -0.50 0.00 -0.73 0.00 0.00 57.03 55.76 1qpq h ASP 1695Cb 0.36 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.83 1qpq h ASP 1695CO 0.00 0.02 0.23 -0.22 -1.03 0.00 0.00 179.24 178.24 1qpq s LEU 1696N -5.19 4.42 0.37 0.15 2.96 -0.95 -5.03 118.68 115.41 1qpq s LEU 1696Ca 0.01 1.67 -0.27 0.00 -0.22 0.00 0.00 54.13 55.31 1qpq s LEU 1696Cb 0.10 -3.68 -0.09 0.00 0.50 0.00 0.00 46.19 43.01 1qpq s LEU 1696CO 0.78 0.05 1.30 -2.84 -1.32 0.00 0.00 176.35 174.31 1qpq s PRO 1697N -1.76 4.13 -0.10 0.98 0.02 -1.26 -4.84 135.00 132.18 1qpq s PRO 1697Ca 0.44 2.16 0.02 0.00 0.02 0.00 0.00 61.00 63.64 1qpq s PRO 1697Cb -0.20 -2.88 0.01 0.00 0.02 0.00 0.00 34.50 31.46 1qpq s PRO 1697CO 0.24 -0.36 -0.15 0.00 -0.33 0.00 0.00 177.00 176.40 1qpq s GLU 1699N 0.84 2.26 -0.08 0.00 8.01 -0.75 -2.61 118.70 126.38 1qpq s GLU 1699Ca -0.10 -0.87 0.05 0.00 0.01 0.00 0.00 54.97 54.06 1qpq s GLU 1699Cb -0.15 -2.02 -0.01 0.00 -4.31 0.00 0.00 34.13 27.64 1qpq s GLU 1699CO 0.01 0.43 -0.23 0.54 0.01 0.00 0.00 175.26 176.02 1qpq s VAL 1700N -0.31 2.24 -0.22 2.63 0.11 -0.52 -1.56 120.40 122.76 1qpq s VAL 1700Ca 0.02 -0.98 -0.16 0.00 -2.93 0.00 0.00 61.98 57.93 1qpq s VAL 1700Cb -0.12 -1.84 -0.04 0.00 -1.53 0.00 0.00 36.38 32.85 1qpq s VAL 1700CO 0.02 0.56 0.40 -0.70 -3.33 0.00 0.00 175.10 172.05 1qpq s GLU 1701N 0.02 4.14 0.06 1.54 2.12 -0.43 -0.73 118.70 125.42 1qpq s GLU 1701Ca -0.08 0.18 0.09 0.00 0.36 0.00 0.00 54.97 55.52 1qpq s GLU 1701Cb -0.15 -3.56 -0.03 0.00 0.26 0.00 0.00 34.13 30.64 1qpq s GLU 1701CO 0.05 -0.10 -0.26 0.14 -0.54 0.00 0.00 175.26 174.56 1qpq s VAL 1702N 1.50 2.21 -0.44 3.70 -7.23 -0.55 -4.80 120.40 114.79 1qpq s VAL 1702Ca 0.18 -1.45 0.07 0.00 -1.81 0.00 0.00 61.98 58.98 1qpq s VAL 1702Cb -0.15 -1.89 0.19 0.00 0.56 0.00 0.00 36.38 35.10 1qpq s VAL 1702CO 0.08 0.31 1.15 -0.90 -0.31 0.00 0.00 175.10 175.44 1qpq n ASP 1703N 1.60 2.58 -3.61 4.85 5.68 -1.26 -1.42 116.55 124.95 1qpq n ASP 1703Ca -0.17 -2.14 -0.12 0.00 -0.50 0.00 0.00 54.79 51.86 1qpq n ASP 1703Cb 0.52 -0.17 -0.05 0.00 -1.14 0.00 0.00 41.12 40.28 1qpq n ASP 1703CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1qpq s SER 1704N -1.18 -0.31 0.52 -1.12 1.04 -1.26 -4.94 113.70 106.44 1qpq s SER 1704Ca 0.15 -0.12 0.29 0.00 0.48 0.00 0.00 55.95 56.75 1qpq s SER 1704Cb 0.10 0.47 1.34 0.00 0.10 0.00 0.00 66.02 68.03 1qpq s SER 1704CO 0.08 -0.79 2.00 -0.07 0.98 0.00 0.00 173.24 175.44 1qpq h LEU 1705N 2.58 0.00 0.37 2.42 3.38 -1.96 -1.99 115.31 120.12 1qpq h LEU 1705Ca -0.33 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 1qpq h LEU 1705Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1qpq h LEU 1705CO 0.44 0.12 -0.18 -0.33 0.09 0.00 0.00 178.44 178.58 1qpq h GLU 1706N 0.00 -0.48 -0.98 1.13 3.07 -1.99 -1.07 114.58 114.26 1qpq h GLU 1706Ca -0.00 0.03 0.06 0.00 -0.50 0.00 0.00 59.36 58.95 1qpq h GLU 1706Cb 0.48 0.11 -0.06 0.00 -0.84 0.00 0.00 28.75 28.44 1qpq h GLU 1706CO 0.02 -0.18 0.64 1.96 -1.40 0.00 0.00 179.01 180.04 1qpq h GLN 1707N -0.77 1.12 -0.42 2.33 4.20 -1.92 -1.19 115.11 118.45 1qpq h GLN 1707Ca -0.05 -0.07 0.04 0.00 0.06 0.00 0.00 58.65 58.63 1qpq h GLN 1707Cb 0.52 -0.25 -0.04 0.00 0.30 0.00 0.00 27.48 28.01 1qpq h GLN 1707CO 0.08 0.74 0.20 1.25 -0.67 0.00 0.00 178.83 180.43 1qpq h LEU 1708N 1.15 0.27 -0.97 1.46 5.85 -1.19 -1.49 115.31 120.39 1qpq h LEU 1708Ca 0.42 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 59.14 1qpq h LEU 1708Cb 0.16 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1qpq h LEU 1708CO -0.16 0.20 0.37 0.44 -0.34 0.00 0.00 178.44 178.95 1qpq h ASP 1709N 0.40 1.00 -0.44 1.25 3.32 -0.06 -1.73 116.42 120.16 1qpq h ASP 1709Ca 0.19 -0.11 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 1qpq h ASP 1709Cb 0.12 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1qpq h ASP 1709CO -0.15 0.85 0.05 0.00 -1.72 0.00 0.00 179.24 178.27 1qpq h ALA 1710N 1.31 1.13 0.00 3.45 0.00 -0.51 -3.28 119.26 121.36 1qpq h ALA 1710Ca 0.27 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1qpq h ALA 1710Cb 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1qpq h ALA 1710CO -0.03 0.57 -1.43 1.33 0.00 0.00 0.00 179.25 179.68 1qpq n VAL 1711N -4.23 0.19 -0.32 0.00 0.24 -0.64 -4.36 118.33 109.21 1qpq n VAL 1711Ca 0.03 -0.40 0.04 0.00 -2.04 0.00 0.00 64.34 61.96 1qpq n VAL 1711Cb 0.28 0.05 0.18 0.00 -1.47 0.00 0.00 33.84 32.88 1qpq n VAL 1711CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1qpq h LEU 1712N 0.00 0.81 -1.59 1.34 3.38 -1.37 -1.83 115.31 116.05 1qpq h LEU 1712Ca 0.00 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 1qpq h LEU 1712Cb 0.89 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1qpq h LEU 1712CO 0.00 0.47 -0.22 1.55 0.09 0.00 0.00 178.44 180.33 1qpq h PRO 1713N 0.92 0.00 0.00 1.13 0.13 -1.76 -1.84 132.00 130.58 1qpq h PRO 1713Ca 0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.56 1qpq h PRO 1713Cb 0.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.48 1qpq h PRO 1713CO -0.23 0.22 0.00 0.39 -0.23 0.00 0.00 178.00 178.14 1qpq n GLU 1714N -3.89 0.06 -3.63 0.86 -0.58 -0.69 -4.95 120.64 107.82 1qpq n GLU 1714Ca -0.02 0.25 -0.29 0.00 -0.42 0.00 0.00 57.16 56.67 1qpq n GLU 1714Cb 0.31 -1.61 0.04 0.00 -0.57 0.00 0.00 31.44 29.61 1qpq n GLU 1714CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1qpq n LYS 1715N -1.73 -1.30 -1.69 3.49 5.02 -0.69 -4.98 118.16 116.28 1qpq n LYS 1715Ca 0.04 0.52 -0.31 0.00 -2.02 0.00 0.00 58.31 56.54 1qpq n LYS 1715Cb 0.23 -4.26 0.04 0.00 -0.02 0.00 0.00 35.03 31.02 1qpq n LYS 1715CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1qpq s PRO 1716N -5.76 3.09 0.12 1.97 0.04 -1.26 -4.97 135.00 128.24 1qpq s PRO 1716Ca 0.46 0.83 -0.22 0.00 0.04 0.00 0.00 61.00 62.11 1qpq s PRO 1716Cb -0.15 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 1qpq s PRO 1716CO 0.85 -0.95 1.69 0.93 0.04 0.00 0.00 177.00 179.55 1qpq h GLU 1717N -0.61 -0.11 -3.89 4.56 3.07 -1.91 -3.41 114.58 112.28 1qpq h GLU 1717Ca -0.44 0.01 -0.14 0.00 -0.50 0.00 0.00 59.36 58.29 1qpq h GLU 1717Cb 1.21 0.02 -0.18 0.00 -0.84 0.00 0.00 28.75 28.96 1qpq h GLU 1717CO 0.59 -0.07 -0.59 -0.51 -1.40 0.00 0.00 179.01 177.03 1qpq s LEU 1718N -10.38 2.00 -0.04 1.33 1.43 -1.07 -2.07 118.68 109.88 1qpq s LEU 1718Ca -0.14 -0.57 0.04 0.00 -1.03 0.00 0.00 54.13 52.43 1qpq s LEU 1718Cb 0.10 0.42 -0.00 0.00 0.03 0.00 0.00 46.19 46.73 1qpq s LEU 1718CO 0.68 -0.46 -0.16 -0.63 0.23 0.00 0.00 176.35 176.01 1qpq s ILE 1719N -2.42 1.34 -0.30 -0.59 1.01 0.62 -1.45 121.20 119.42 1qpq s ILE 1719Ca -0.07 -0.68 -0.09 0.00 0.00 0.00 0.00 60.65 59.81 1qpq s ILE 1719Cb -0.03 -1.15 -0.01 0.00 0.01 0.00 0.00 42.46 41.28 1qpq s ILE 1719CO -0.04 0.39 0.14 -0.22 0.00 0.00 0.00 174.94 175.21 1qpq s LEU 1720N -0.00 4.03 -0.57 2.97 0.20 0.10 -1.15 118.68 124.26 1qpq s LEU 1720Ca -0.02 -0.48 -0.25 0.00 0.69 0.00 0.00 54.13 54.07 1qpq s LEU 1720Cb -0.10 -2.00 0.04 0.00 -0.43 0.00 0.00 46.19 43.70 1qpq s LEU 1720CO 0.02 -0.17 0.98 -0.76 -0.29 0.00 0.00 176.35 176.13 1qpq s LEU 1721N 1.62 4.01 -0.49 -0.68 1.43 0.81 -1.48 118.68 123.90 1qpq s LEU 1721Ca 0.05 -0.33 -0.24 0.00 -1.03 0.00 0.00 54.13 52.58 1qpq s LEU 1721Cb -0.17 -2.84 0.03 0.00 0.03 0.00 0.00 46.19 43.24 1qpq s LEU 1721CO 0.06 -1.29 0.87 -0.62 0.23 0.00 0.00 176.35 175.60 1qpq s ASP 1722N 2.93 6.40 -1.26 2.29 2.15 -0.51 -1.51 116.67 127.15 1qpq s ASP 1722Ca 0.32 -0.19 -0.01 0.00 0.43 0.00 0.00 52.55 53.10 1qpq s ASP 1722Cb -0.12 -2.41 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 1qpq s ASP 1722CO 0.19 -1.06 0.90 0.59 -0.17 0.00 0.00 175.17 175.62 1qpq n ASN 1723N 7.07 -2.07 -4.85 -0.34 3.02 0.40 -4.64 115.26 113.85 1qpq n ASN 1723Ca 0.03 -0.70 -0.35 0.00 -0.03 0.00 0.00 54.58 53.53 1qpq n ASN 1723Cb 0.48 -4.68 -0.06 0.00 -0.61 0.00 0.00 39.78 34.91 1qpq n ASN 1723CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1qpq s PHE 1724N -3.47 3.61 0.90 3.10 0.40 -1.26 -4.88 117.98 116.37 1qpq s PHE 1724Ca 0.06 1.02 -0.12 0.00 -0.60 0.00 0.00 56.93 57.30 1qpq s PHE 1724Cb -0.03 -2.34 0.13 0.00 0.51 0.00 0.00 43.02 41.29 1qpq s PHE 1724CO 0.76 0.45 1.10 0.00 0.70 0.00 0.00 175.22 178.23 1qpq s ALA 1725N -1.44 1.62 0.22 5.36 0.00 -1.26 -4.78 121.76 121.49 1qpq s ALA 1725Ca 0.37 -0.24 -0.08 0.00 0.00 0.00 0.00 51.96 52.01 1qpq s ALA 1725Cb -0.15 -3.13 0.19 0.00 0.00 0.00 0.00 23.12 20.03 1qpq s ALA 1725CO 0.19 -2.30 1.86 0.28 0.00 0.00 0.00 175.76 175.79 1qpq h VAL 1726N -1.50 1.24 -0.06 0.00 2.07 -1.97 0.35 116.25 116.38 1qpq h VAL 1726Ca -0.50 -0.54 -0.07 0.00 0.82 0.00 0.00 66.70 66.40 1qpq h VAL 1726Cb 1.30 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1qpq h VAL 1726CO 0.58 0.26 -0.30 4.11 0.02 0.00 0.00 177.57 182.23 1qpq h TRP 1727N 1.17 0.11 0.00 1.57 5.08 -1.99 -1.14 115.95 120.75 1qpq h TRP 1727Ca 0.30 -0.02 -0.18 0.00 1.08 0.00 0.00 58.89 60.08 1qpq h TRP 1727Cb -0.03 -0.03 -0.03 0.00 -3.00 0.00 0.00 29.16 26.08 1qpq h TRP 1727CO 0.00 0.39 -0.84 1.96 -1.28 0.00 0.00 178.44 178.68 1qpq h GLN 1728N 0.09 0.00 -0.35 0.12 4.20 -1.72 -2.52 115.11 114.94 1qpq h GLN 1728Ca 0.01 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.62 1qpq h GLN 1728Cb 0.58 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 1qpq h GLN 1728CO 0.04 0.84 -0.20 1.15 -0.67 0.00 0.00 178.83 179.99 1qpq h THR 1729N 0.00 1.29 -0.62 -0.54 2.02 -0.16 -1.50 112.91 113.40 1qpq h THR 1729Ca -0.01 -1.33 -0.01 0.00 0.77 0.00 0.00 66.41 65.83 1qpq h THR 1729Cb 1.49 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 69.27 1qpq h THR 1729CO 0.11 0.43 0.34 -0.61 0.37 0.00 0.00 175.52 176.16 1qpq h GLN 1730N 0.52 0.87 -0.08 6.66 5.75 -1.24 -0.48 115.11 127.11 1qpq h GLN 1730Ca 0.07 -0.10 0.01 0.00 -0.15 0.00 0.00 58.65 58.48 1qpq h GLN 1730Cb 0.75 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 29.12 1qpq h GLN 1730CO 0.06 0.66 0.03 1.15 -2.65 0.00 0.00 178.83 178.08 1qpq h THR 1731N 0.84 0.99 -0.64 2.39 2.02 -1.36 -1.05 112.91 116.10 1qpq h THR 1731Ca 0.22 -0.02 0.13 0.00 0.77 0.00 0.00 66.41 67.50 1qpq h THR 1731Cb 0.05 0.91 -0.09 0.00 -1.74 0.00 0.00 68.15 67.27 1qpq h THR 1731CO -0.03 0.01 0.13 0.00 0.37 0.00 0.00 175.52 176.00 1qpq h ALA 1732N 1.05 0.77 -0.41 6.16 0.00 -0.84 0.29 119.26 126.27 1qpq h ALA 1732Ca 0.03 0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1qpq h ALA 1732Cb 0.01 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1qpq h ALA 1732CO -0.03 -0.32 -0.16 0.28 0.00 0.00 0.00 179.25 179.02 1qpq h VAL 1733N 0.26 1.26 -0.32 0.00 2.07 -0.91 -1.37 116.25 117.24 1qpq h VAL 1733Ca 0.34 -1.24 -0.07 0.00 0.82 0.00 0.00 66.70 66.55 1qpq h VAL 1733Cb 0.53 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1qpq h VAL 1733CO -0.44 0.42 -0.06 1.56 0.02 0.00 0.00 177.57 179.07 1qpq h GLN 1734N 0.69 0.61 -0.58 1.57 4.20 0.60 -1.22 115.11 120.98 1qpq h GLN 1734Ca 0.11 -0.22 -0.05 0.00 0.06 0.00 0.00 58.65 58.54 1qpq h GLN 1734Cb 0.65 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.37 1qpq h GLN 1734CO 0.05 0.78 0.14 0.00 -0.67 0.00 0.00 178.83 179.12 1qpq h ARG 1735N 0.39 0.90 -0.04 1.46 3.08 -0.52 -2.41 114.38 117.25 1qpq h ARG 1735Ca 0.08 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1qpq h ARG 1735Cb 0.54 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 1qpq h ARG 1735CO 0.03 0.80 -0.01 -0.09 -1.07 0.00 0.00 179.97 179.64 1qpq h ARG 1736N 0.86 0.08 -0.18 0.04 1.12 -1.10 -0.59 114.38 114.62 1qpq h ARG 1736Ca 0.19 -0.03 0.01 0.00 -1.11 0.00 0.00 59.98 59.04 1qpq h ARG 1736Cb 0.31 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.26 1qpq h ARG 1736CO -0.00 0.40 0.12 -0.44 -3.11 0.00 0.00 179.97 176.93 1qpq h ASP 1737N -0.25 0.16 0.21 -3.80 3.32 -1.11 0.72 116.42 115.69 1qpq h ASP 1737Ca 0.01 -0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.71 1qpq h ASP 1737Cb 0.37 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1qpq h ASP 1737CO 0.00 0.11 -1.90 0.77 -1.72 0.00 0.00 179.24 176.51 1qpq h SER 1738N 0.19 0.37 0.09 6.45 4.64 -1.35 -3.40 113.55 120.53 1qpq h SER 1738Ca 0.07 -0.77 -0.37 0.00 -0.47 0.00 0.00 61.79 60.25 1qpq h SER 1738Cb 0.05 -0.12 -0.05 0.00 -0.31 0.00 0.00 62.40 61.97 1qpq h SER 1738CO -0.01 1.69 -2.23 0.54 -0.87 0.00 0.00 176.83 175.94 1qpq n ARG 1739N -3.42 0.69 -3.05 4.77 1.74 -0.24 -4.82 116.66 112.34 1qpq n ARG 1739Ca -0.28 0.18 -0.19 0.00 -0.77 0.00 0.00 57.85 56.80 1qpq n ARG 1739Cb 1.05 -1.61 -0.03 0.00 -1.02 0.00 0.00 32.46 30.85 1qpq n ARG 1739CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qpq n ALA 1740N -3.04 1.19 -0.47 7.54 0.00 0.20 -4.96 120.51 120.97 1qpq n ALA 1740Ca -0.37 -2.76 0.41 0.00 0.00 0.00 0.00 53.44 50.73 1qpq n ALA 1740Cb 1.04 -0.98 0.76 0.00 0.00 0.00 0.00 19.45 20.27 1qpq n ALA 1740CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1qpq h PRO 1741N 3.96 0.02 0.00 0.00 0.11 -1.65 0.33 132.00 134.77 1qpq h PRO 1741Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1qpq h PRO 1741Cb 0.93 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1qpq h PRO 1741CO 0.42 0.01 -0.06 1.79 -0.21 0.00 0.00 178.00 179.95 1qpq h THR 1742N 0.02 0.00 -3.49 -1.15 1.35 -1.94 -3.45 112.91 104.24 1qpq h THR 1742Ca 0.71 -0.50 -0.52 0.00 -0.55 0.00 0.00 66.41 65.55 1qpq h THR 1742Cb 2.80 1.46 -0.01 0.00 -1.73 0.00 0.00 68.15 70.67 1qpq h THR 1742CO -0.04 0.00 0.42 -0.69 -0.25 0.00 0.00 175.52 174.96 1qpq s VAL 1743N -3.11 4.32 0.00 6.82 1.01 0.10 -4.93 120.40 124.61 1qpq s VAL 1743Ca 0.10 1.86 -0.07 0.00 0.00 0.00 0.00 61.98 63.88 1qpq s VAL 1743Cb 0.12 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 1qpq s VAL 1743CO 0.61 0.25 0.26 -0.04 0.00 0.00 0.00 175.10 176.19 1qpq s MET 1744N 0.20 3.57 -0.08 2.72 -1.94 -0.88 -4.99 119.30 117.91 1qpq s MET 1744Ca 0.50 -0.08 -0.01 0.00 -1.71 0.00 0.00 55.69 54.39 1qpq s MET 1744Cb -0.25 -3.09 -0.03 0.00 2.01 0.00 0.00 34.83 33.47 1qpq s MET 1744CO 0.31 0.66 -0.03 -0.51 -0.01 0.00 0.00 175.02 175.44 1qpq s LEU 1745N -1.72 3.42 -0.05 -0.03 1.02 -1.26 -0.27 118.68 119.79 1qpq s LEU 1745Ca 0.27 0.08 -0.01 0.00 0.02 0.00 0.00 54.13 54.49 1qpq s LEU 1745Cb -0.13 -1.77 0.03 0.00 0.02 0.00 0.00 46.19 44.34 1qpq s LEU 1745CO 0.16 0.37 0.03 -0.70 0.02 0.00 0.00 176.35 176.23 1qpq s GLU 1746N -0.85 0.20 0.06 1.70 2.12 -0.30 -1.14 118.70 120.49 1qpq s GLU 1746Ca 0.13 0.23 -0.20 0.00 0.36 0.00 0.00 54.97 55.49 1qpq s GLU 1746Cb -0.11 -0.64 -0.06 0.00 0.26 0.00 0.00 34.13 33.58 1qpq s GLU 1746CO 0.02 -0.28 0.60 -1.12 -0.54 0.00 0.00 175.26 173.94 1qpq s SER 1747N 1.85 7.08 -0.09 -1.70 0.01 -0.43 -0.13 113.70 120.29 1qpq s SER 1747Ca 0.02 1.28 -0.12 0.00 1.31 0.00 0.00 55.95 58.44 1qpq s SER 1747Cb -0.12 -2.38 0.03 0.00 0.21 0.00 0.00 66.02 63.76 1qpq s SER 1747CO -0.03 0.22 0.31 -0.55 0.41 0.00 0.00 173.24 173.59 1qpq s SER 1748N -0.86 -0.28 0.00 2.44 0.15 -0.57 -1.11 113.70 113.47 1qpq s SER 1748Ca 0.30 0.49 0.00 0.00 0.70 0.00 0.00 55.95 57.44 1qpq s SER 1748Cb -0.20 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 1qpq s SER 1748CO 0.19 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.06 1qpq n GLY 1749N 2.52 0.63 2.35 9.45 0.00 -1.26 -0.45 105.19 118.43 1qpq n GLY 1749Ca -0.15 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 44.86 1qpq n GLY 1749CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qpq n GLY 1750N 0.00 4.48 3.73 -0.02 0.00 -1.26 -4.91 105.19 107.21 1qpq n GLY 1750Ca 0.00 -1.67 -0.36 0.00 0.00 0.00 0.00 46.02 43.99 1qpq n GLY 1750CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qpq s LEU 1751N -0.65 4.24 0.07 0.99 1.02 -1.26 -5.03 118.68 118.06 1qpq s LEU 1751Ca 0.64 0.44 0.04 0.00 0.02 0.00 0.00 54.13 55.28 1qpq s LEU 1751Cb 0.20 -2.30 -0.03 0.00 0.02 0.00 0.00 46.19 44.08 1qpq s LEU 1751CO -0.07 0.13 -0.12 -0.94 0.02 0.00 0.00 176.35 175.37 1qpq s SER 1752N 0.38 1.46 0.52 2.29 1.04 -1.26 -5.02 113.70 113.12 1qpq s SER 1752Ca 0.14 -0.66 0.24 0.00 0.48 0.00 0.00 55.95 56.15 1qpq s SER 1752Cb -0.12 -0.02 1.37 0.00 0.10 0.00 0.00 66.02 67.34 1qpq s SER 1752CO 0.02 -0.15 2.01 0.25 0.98 0.00 0.00 173.24 176.35 1qpq h LEU 1753N 4.12 0.02 -0.80 2.42 5.85 -1.99 0.24 115.31 125.16 1qpq h LEU 1753Ca -0.39 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.23 1qpq h LEU 1753Cb 1.19 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 1qpq h LEU 1753CO 0.44 0.01 -0.50 1.56 -0.34 0.00 0.00 178.44 179.61 1qpq h GLN 1754N 0.02 0.00 0.00 1.25 1.08 -2.02 -3.18 115.11 112.26 1qpq h GLN 1754Ca 0.23 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 1qpq h GLN 1754Cb 0.89 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.32 1qpq h GLN 1754CO -0.01 0.50 -1.37 0.25 -0.95 0.00 0.00 178.83 177.25 1qpq n THR 1755N -3.63 0.02 -0.34 -0.54 -2.24 0.06 -4.68 114.28 102.93 1qpq n THR 1755Ca -0.01 -0.21 0.05 0.00 -2.27 0.00 0.00 64.05 61.62 1qpq n THR 1755Cb 0.57 0.55 0.13 0.00 -2.10 0.00 0.00 70.33 69.48 1qpq n THR 1755CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qpq h ALA 1756N 2.59 0.63 -0.12 6.98 0.00 -0.61 0.49 119.26 129.21 1qpq h ALA 1756Ca 0.00 0.37 -0.08 0.00 0.00 0.00 0.00 54.91 55.20 1qpq h ALA 1756Cb 0.71 0.73 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1qpq h ALA 1756CO 0.00 -0.39 -0.28 0.00 0.00 0.00 0.00 179.25 178.58 1qpq h ALA 1757N 1.95 1.30 -0.59 0.00 0.00 -1.81 -0.33 119.26 119.78 1qpq h ALA 1757Ca 0.46 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1qpq h ALA 1757Cb 0.70 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1qpq h ALA 1757CO -0.99 0.48 0.02 1.15 0.00 0.00 0.00 179.25 179.91 1qpq h THR 1758N 0.20 1.26 -0.12 0.00 2.02 -1.22 0.63 112.91 115.69 1qpq h THR 1758Ca 0.03 -1.11 -0.09 0.00 0.77 0.00 0.00 66.41 66.01 1qpq h THR 1758Cb 0.61 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1qpq h THR 1758CO 0.04 0.40 -0.26 1.88 0.37 0.00 0.00 175.52 177.95 1qpq h TYR 1759N 0.94 0.50 -0.76 3.16 -1.99 -1.22 -3.24 116.97 114.37 1qpq h TYR 1759Ca 0.17 -0.18 0.11 0.00 2.00 0.00 0.00 58.73 60.83 1qpq h TYR 1759Cb 0.52 -0.09 -0.08 0.00 2.00 0.00 0.00 36.73 39.08 1qpq h TYR 1759CO 0.04 0.88 0.37 0.00 -0.00 0.00 0.00 178.16 179.45 1qpq h ALA 1760N 0.52 1.07 0.00 3.88 0.00 -0.77 -0.31 119.26 123.66 1qpq h ALA 1760Ca 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1qpq h ALA 1760Cb 0.86 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1qpq h ALA 1760CO 0.06 -0.07 -0.05 0.93 0.00 0.00 0.00 179.25 180.11 1qpq h GLU 1761N 0.60 0.00 -0.07 0.00 5.08 -0.92 -2.03 114.58 117.24 1qpq h GLU 1761Ca 0.39 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.77 1qpq h GLU 1761Cb 0.47 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1qpq h GLU 1761CO -0.31 0.05 0.05 1.79 -1.00 0.00 0.00 179.01 179.60 1qpq h THR 1762N 0.00 0.90 0.00 1.13 1.35 -1.07 -3.46 112.91 111.76 1qpq h THR 1762Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1qpq h THR 1762Cb 0.18 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 67.56 1qpq h THR 1762CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 1qpq n GLY 1763N -1.52 1.08 3.62 5.82 0.00 -0.76 -4.86 105.19 108.57 1qpq n GLY 1763Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1qpq n GLY 1763CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1qpq n VAL 1764N -0.53 0.67 0.03 1.61 0.24 -1.26 -4.92 118.33 114.17 1qpq n VAL 1764Ca 0.00 -0.11 -0.04 0.00 -2.04 0.00 0.00 64.34 62.15 1qpq n VAL 1764Cb 0.00 -0.98 -0.09 0.00 -1.47 0.00 0.00 33.84 31.30 1qpq n VAL 1764CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1qpq h ASP 1765N -1.49 0.00 -5.21 -1.34 3.32 -1.49 -3.32 116.42 106.89 1qpq h ASP 1765Ca -0.44 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.51 1qpq h ASP 1765Cb 1.28 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.70 1qpq h ASP 1765CO 0.41 0.78 -0.41 -0.31 -1.72 0.00 0.00 179.24 178.00 1qpq s TYR 1766N -2.78 0.30 -0.14 4.55 2.02 -0.90 -1.61 117.35 118.79 1qpq s TYR 1766Ca -0.02 -0.72 -0.01 0.00 -0.37 0.00 0.00 57.07 55.95 1qpq s TYR 1766Cb 0.08 -0.12 0.03 0.00 -0.40 0.00 0.00 41.96 41.56 1qpq s TYR 1766CO 0.81 -0.57 -0.06 -0.51 -1.57 0.00 0.00 175.55 173.64 1qpq s LEU 1767N -2.91 1.37 -0.41 -1.29 1.02 0.10 -1.32 118.68 115.25 1qpq s LEU 1767Ca 0.10 -0.47 -0.16 0.00 0.02 0.00 0.00 54.13 53.61 1qpq s LEU 1767Cb 0.05 -0.87 0.02 0.00 0.02 0.00 0.00 46.19 45.41 1qpq s LEU 1767CO -0.07 -0.15 0.39 0.00 0.02 0.00 0.00 176.35 176.54 1qpq s ALA 1768N 1.68 3.45 -0.42 4.21 0.00 -0.27 -0.38 121.76 130.03 1qpq s ALA 1768Ca 0.03 -1.55 -0.08 0.00 0.00 0.00 0.00 51.96 50.36 1qpq s ALA 1768Cb -0.14 -2.99 0.09 0.00 0.00 0.00 0.00 23.12 20.08 1qpq s ALA 1768CO -0.08 -1.52 0.24 0.08 0.00 0.00 0.00 175.76 174.49 1qpq s VAL 1769N 1.99 3.97 0.28 0.00 1.01 0.28 -4.53 120.40 123.40 1qpq s VAL 1769Ca 0.10 -1.57 -0.01 0.00 0.00 0.00 0.00 61.98 60.49 1qpq s VAL 1769Cb -0.18 -3.50 0.16 0.00 0.00 0.00 0.00 36.38 32.86 1qpq s VAL 1769CO 0.12 -0.55 1.83 1.23 0.00 0.00 0.00 175.10 177.73 1qpq h GLY 1770N 8.32 0.89 1.16 4.51 0.00 -1.91 -3.03 103.07 113.01 1qpq h GLY 1770Ca -0.21 -0.51 0.11 0.00 0.00 0.00 0.00 47.33 46.73 1qpq h GLY 1770CO 0.75 0.48 0.32 0.00 0.00 0.00 0.00 176.54 178.08 1qpq h ALA 1771N 1.35 2.21 -0.89 3.60 0.00 -1.93 -1.54 119.26 122.05 1qpq h ALA 1771Ca 0.18 -0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.28 1qpq h ALA 1771Cb 0.28 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 1qpq h ALA 1771CO -0.00 -0.51 0.60 -0.07 0.00 0.00 0.00 179.25 179.26 1qpq h LEU 1772N 0.00 0.34 0.00 0.00 4.07 -1.84 -3.32 115.31 114.57 1qpq h LEU 1772Ca 0.18 0.04 -0.14 0.00 0.08 0.00 0.00 57.88 58.03 1qpq h LEU 1772Cb 0.81 -0.03 -0.03 0.00 1.08 0.00 0.00 40.66 42.50 1qpq h LEU 1772CO -0.00 0.14 -1.55 0.35 -1.08 0.00 0.00 178.44 176.30 1qpq n THR 1773N -4.48 0.55 -2.97 0.22 -2.24 -0.63 -4.71 114.28 100.02 1qpq n THR 1773Ca 0.19 -0.27 -0.22 0.00 -2.27 0.00 0.00 64.05 61.48 1qpq n THR 1773Cb 0.73 -0.82 0.01 0.00 -2.10 0.00 0.00 70.33 68.15 1qpq n THR 1773CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1qpq s HIS 1774N -2.19 3.10 -1.37 4.78 -3.43 -0.91 -4.49 115.29 110.78 1qpq s HIS 1774Ca -0.09 0.08 -0.04 0.00 -0.80 0.00 0.00 55.06 54.22 1qpq s HIS 1774Cb 0.03 -2.37 0.02 0.00 -1.43 0.00 0.00 32.58 28.83 1qpq s HIS 1774CO 0.27 -0.43 0.80 0.43 -2.00 0.00 0.00 174.74 173.81 1qpq n SER 1775N -2.07 -2.38 -4.90 7.38 7.64 -1.26 -4.39 113.62 113.64 1qpq n SER 1775Ca 0.03 -0.79 -0.33 0.00 1.01 0.00 0.00 58.87 58.79 1qpq n SER 1775Cb 0.58 -4.06 -0.05 0.00 -1.01 0.00 0.00 64.21 59.67 1qpq n SER 1775CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1qpq s VAL 1776N -3.55 5.31 -0.22 0.44 -7.23 -1.26 -4.80 120.40 109.09 1qpq s VAL 1776Ca 0.21 -0.03 -0.05 0.00 -1.81 0.00 0.00 61.98 60.30 1qpq s VAL 1776Cb -0.10 -3.59 -0.02 0.00 0.56 0.00 0.00 36.38 33.23 1qpq s VAL 1776CO 0.81 0.24 -0.01 -0.60 -0.31 0.00 0.00 175.10 175.24 1qpq s ARG 1777N -2.14 3.50 0.37 4.82 3.52 -1.26 -5.06 118.95 122.70 1qpq s ARG 1777Ca 0.32 -0.57 -0.28 0.00 -0.13 0.00 0.00 55.73 55.07 1qpq s ARG 1777Cb -0.13 -3.09 -0.11 0.00 -1.56 0.00 0.00 34.95 30.06 1qpq s ARG 1777CO 0.21 -0.14 1.49 1.55 -0.81 0.00 0.00 175.30 177.60 1qpq n VAL 1778N 4.67 1.95 -2.90 7.11 3.14 -1.26 -4.22 118.33 126.82 1qpq n VAL 1778Ca -0.17 -0.49 -0.41 0.00 -2.96 0.00 0.00 64.34 60.31 1qpq n VAL 1778Cb 0.51 -1.96 -0.04 0.00 -1.06 0.00 0.00 33.84 31.29 1qpq n VAL 1778CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 1qpq s LEU 1779N -1.95 4.19 -0.26 6.55 2.96 -0.73 -4.83 118.68 124.61 1qpq s LEU 1779Ca 0.54 1.17 -0.29 0.00 -0.22 0.00 0.00 54.13 55.33 1qpq s LEU 1779Cb -0.48 -3.22 -0.01 0.00 0.50 0.00 0.00 46.19 42.98 1qpq s LEU 1779CO 0.63 -0.37 1.44 -0.62 -1.32 0.00 0.00 176.35 176.10 1qpq s ASP 1780N 1.13 6.56 0.02 3.68 2.15 -1.26 -4.48 116.67 124.46 1qpq s ASP 1780Ca 0.38 1.41 0.03 0.00 0.43 0.00 0.00 52.55 54.80 1qpq s ASP 1780Cb -0.17 -2.54 -0.01 0.00 -0.30 0.00 0.00 42.92 39.90 1qpq s ASP 1780CO 0.13 -1.14 -0.09 -0.63 -0.17 0.00 0.00 175.17 173.26 1qpq s ILE 1781N 4.69 0.71 0.24 4.11 1.01 -1.26 -0.29 121.20 130.41 1qpq s ILE 1781Ca 0.63 -0.68 0.05 0.00 0.00 0.00 0.00 60.65 60.65 1qpq s ILE 1781Cb -0.20 -0.66 -0.05 0.00 0.01 0.00 0.00 42.46 41.56 1qpq s ILE 1781CO 0.25 -0.01 -0.06 -0.83 0.00 0.00 0.00 174.94 174.30 1qpq s GLY 1782N -0.77 1.58 -0.34 6.18 0.00 0.43 -4.94 107.32 109.46 1qpq s GLY 1782Ca -0.01 -1.77 -0.07 0.00 0.00 0.00 0.00 44.72 42.88 1qpq s GLY 1782CO 0.00 -1.74 0.12 -2.27 0.00 0.00 0.00 173.10 169.21 1qpq s LEU 1783N -3.34 4.38 -0.23 0.66 2.96 -1.26 -0.16 118.68 121.70 1qpq s LEU 1783Ca 0.26 -1.12 -0.08 0.00 -0.22 0.00 0.00 54.13 52.97 1qpq s LEU 1783Cb 0.04 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 1qpq s LEU 1783CO 0.09 -0.34 0.08 -1.81 -1.32 0.00 0.00 176.35 173.05 1qpq s ASP 1784N 1.43 5.39 0.00 3.68 1.01 0.89 -4.90 116.67 124.17 1qpq s ASP 1784Ca -0.01 -0.09 0.09 0.00 0.71 0.00 0.00 52.55 53.26 1qpq s ASP 1784Cb -0.19 -1.96 0.07 0.00 1.01 0.00 0.00 42.92 41.85 1qpq s ASP 1784CO 0.03 0.04 0.79 0.23 0.21 0.00 0.00 175.17 176.48