#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iah n ASN 1550N 0.00 -0.46 -2.46 3.42 6.94 -1.26 -5.06 115.26 116.37 1iah n ASN 1550Ca 0.00 -1.11 -0.00 0.00 -0.02 0.00 0.00 54.58 53.45 1iah n ASN 1550Cb 0.00 0.72 0.05 0.00 -2.36 0.00 0.00 39.78 38.19 1iah n ASN 1550CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1iah n TYR 1551N -0.34 0.36 -0.62 -2.53 0.18 -1.26 -5.15 117.16 107.81 1iah n TYR 1551Ca 0.01 -1.67 -0.17 0.00 1.88 0.00 0.00 57.90 57.95 1iah n TYR 1551Cb 0.22 0.15 0.01 0.00 -0.38 0.00 0.00 39.34 39.34 1iah n TYR 1551CO 0.00 0.00 0.00 2.48 -2.08 0.00 0.00 176.86 177.26 1iah n TYR 1552N -0.54 -0.88 -1.54 -3.48 0.18 -1.26 -4.95 117.16 104.70 1iah n TYR 1552Ca 0.00 0.47 -0.29 0.00 1.88 0.00 0.00 57.90 59.96 1iah n TYR 1552Cb 0.87 -0.95 0.12 0.00 -0.38 0.00 0.00 39.34 39.01 1iah n TYR 1552CO 0.00 0.00 0.00 1.52 -2.08 0.00 0.00 176.86 176.30 1iah s TYR 1553N -1.37 2.61 0.68 -3.48 1.13 -1.26 -5.09 117.35 110.57 1iah s TYR 1553Ca 0.15 0.94 0.04 0.00 -1.41 0.00 0.00 57.07 56.79 1iah s TYR 1553Cb 0.05 -3.31 0.12 0.00 -1.10 0.00 0.00 41.96 37.72 1iah s TYR 1553CO 0.28 -2.19 0.94 -1.54 -2.51 0.00 0.00 175.55 170.53 1iah s SER 1554N -3.99 4.55 0.05 -0.18 1.04 -1.26 -4.90 113.70 109.02 1iah s SER 1554Ca 0.63 -0.66 -0.24 0.00 0.48 0.00 0.00 55.95 56.16 1iah s SER 1554Cb -0.15 0.29 -0.17 0.00 0.10 0.00 0.00 66.02 66.10 1iah s SER 1554CO 0.54 -1.74 1.58 0.00 0.98 0.00 0.00 173.24 174.59 1iah h ALA 1555N -0.30 0.01 -0.58 5.32 0.00 -1.98 0.14 119.26 121.88 1iah h ALA 1555Ca -0.32 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.54 1iah h ALA 1555Cb 1.27 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 1iah h ALA 1555CO 0.39 -0.41 0.34 0.28 0.00 0.00 0.00 179.25 179.85 1iah h VAL 1556N -0.16 1.05 -0.51 0.00 2.07 -1.99 0.27 116.25 116.99 1iah h VAL 1556Ca 0.00 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1iah h VAL 1556Cb 0.17 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1iah h VAL 1556CO -0.00 0.12 0.23 -0.33 0.02 0.00 0.00 177.57 177.61 1iah h GLU 1557N 0.68 0.74 -0.43 1.57 5.08 -1.91 -1.73 114.58 118.59 1iah h GLU 1557Ca 0.24 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1iah h GLU 1557Cb 0.04 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1iah h GLU 1557CO -0.11 0.64 0.05 -0.09 -1.00 0.00 0.00 179.01 178.50 1iah h ARG 1558N 0.68 0.72 -0.60 2.33 2.43 -0.07 -2.72 114.38 117.15 1iah h ARG 1558Ca 0.17 -0.20 0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1iah h ARG 1558Cb 0.15 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.58 1iah h ARG 1558CO -0.02 0.76 0.34 -0.91 -1.51 0.00 0.00 179.97 178.63 1iah h ASN 1559N 0.57 0.52 0.05 -3.80 -0.26 -0.32 -0.78 115.58 111.56 1iah h ASN 1559Ca 0.13 0.02 -0.06 0.00 -0.56 0.00 0.00 56.30 55.82 1iah h ASN 1559Cb 0.40 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.56 1iah h ASN 1559CO 0.01 0.35 -0.19 0.78 -1.06 0.00 0.00 177.43 177.32 1iah h ASN 1560N 0.65 0.26 0.07 5.81 2.35 -1.22 -1.30 115.58 122.21 1iah h ASN 1560Ca 0.26 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.94 1iah h ASN 1560Cb 0.11 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1iah h ASN 1560CO -0.15 0.47 -0.03 -0.07 -1.65 0.00 0.00 177.43 176.00 1iah h LEU 1561N 0.25 -0.08 -1.60 1.61 3.38 -1.13 -3.33 115.31 114.41 1iah h LEU 1561Ca 0.05 -0.51 0.06 0.00 0.09 0.00 0.00 57.88 57.56 1iah h LEU 1561Cb 0.49 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1iah h LEU 1561CO 0.03 0.61 0.35 0.24 0.09 0.00 0.00 178.44 179.76 1iah h MET 1562N -0.91 0.48 0.00 1.13 2.86 -1.14 -0.72 114.93 116.64 1iah h MET 1562Ca -0.01 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1iah h MET 1562Cb 0.59 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.14 1iah h MET 1562CO 0.02 0.32 -0.05 -0.09 1.06 0.00 0.00 176.91 178.17 1iah h ARG 1563N 0.50 0.00 0.00 1.72 2.43 -1.35 -1.41 114.38 116.27 1iah h ARG 1563Ca 0.23 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1iah h ARG 1563Cb 0.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1iah h ARG 1563CO -0.06 0.05 0.00 1.28 -1.51 0.00 0.00 179.97 179.73 1iah n LEU 1564N -4.06 0.48 -0.16 3.80 4.77 -0.28 -2.31 117.00 119.24 1iah n LEU 1564Ca -0.03 0.57 0.14 0.00 -0.03 0.00 0.00 56.01 56.66 1iah n LEU 1564Cb 0.14 -0.46 0.50 0.00 -2.33 0.00 0.00 43.42 41.26 1iah n LEU 1564CO 0.31 -0.26 0.76 -1.54 -1.33 0.00 0.00 177.39 175.33 1iah n SER 1565N -1.98 0.68 -4.76 -1.43 3.41 -0.53 -4.88 113.62 104.12 1iah n SER 1565Ca 0.05 -0.64 -0.23 0.00 -0.26 0.00 0.00 58.87 57.78 1iah n SER 1565Cb 0.31 0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.22 1iah n SER 1565CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1iah s GLN 1566N -2.53 2.33 -0.32 4.33 -0.21 -0.98 -5.07 119.66 117.21 1iah s GLN 1566Ca 0.25 -1.69 -0.29 0.00 0.02 0.00 0.00 55.36 53.66 1iah s GLN 1566Cb 0.20 -2.12 -0.01 0.00 1.00 0.00 0.00 33.01 32.08 1iah s GLN 1566CO 0.51 -0.06 1.58 -1.12 -2.12 0.00 0.00 175.29 174.08 1iah s SER 1567N -3.93 6.24 -0.03 5.90 0.01 -1.26 -4.99 113.70 115.64 1iah s SER 1567Ca 0.41 1.23 -0.10 0.00 1.31 0.00 0.00 55.95 58.81 1iah s SER 1567Cb 0.00 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.65 1iah s SER 1567CO 0.24 -1.44 0.29 -0.63 0.41 0.00 0.00 173.24 172.11 1iah s ILE 1568N 5.72 5.24 0.16 1.44 1.01 -1.26 -5.04 121.20 128.48 1iah s ILE 1568Ca 0.69 0.47 -0.33 0.00 0.00 0.00 0.00 60.65 61.49 1iah s ILE 1568Cb -0.20 -3.58 -0.12 0.00 0.01 0.00 0.00 42.46 38.57 1iah s ILE 1568CO 0.31 0.52 1.71 -0.81 0.00 0.00 0.00 174.94 176.67 1iah n PRO 1569N 1.64 2.55 -3.68 2.79 -0.04 -1.26 -4.99 135.00 132.02 1iah n PRO 1569Ca -0.15 0.92 -0.28 0.00 -0.04 0.00 0.00 63.50 63.95 1iah n PRO 1569Cb 0.53 -2.75 -0.16 0.00 -0.04 0.00 0.00 33.50 31.08 1iah n PRO 1569CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1iah s PHE 1570N 1.52 1.01 -0.74 0.54 5.36 -1.26 -5.07 117.98 119.32 1iah s PHE 1570Ca 0.78 -1.09 -0.01 0.00 -0.96 0.00 0.00 56.93 55.66 1iah s PHE 1570Cb -0.57 -1.18 0.19 0.00 -0.34 0.00 0.00 43.02 41.12 1iah s PHE 1570CO 0.36 -0.73 0.58 0.08 -1.46 0.00 0.00 175.22 174.05 1iah s VAL 1571N 1.86 3.84 -0.08 3.12 1.01 -1.26 -5.06 120.40 123.83 1iah s VAL 1571Ca 0.05 -3.52 -0.29 0.00 0.00 0.00 0.00 61.98 58.22 1iah s VAL 1571Cb -0.17 -3.45 -0.07 0.00 0.00 0.00 0.00 36.38 32.69 1iah s VAL 1571CO -0.20 -0.98 2.02 -2.16 0.00 0.00 0.00 175.10 173.79 1iah s PRO 1572N -0.78 3.74 0.06 2.72 0.04 -1.26 -4.89 135.00 134.63 1iah s PRO 1572Ca 0.22 2.31 -0.31 0.00 0.04 0.00 0.00 61.00 63.27 1iah s PRO 1572Cb -0.13 -4.23 -0.10 0.00 0.04 0.00 0.00 34.50 30.08 1iah s PRO 1572CO -0.08 -1.40 1.91 1.33 0.04 0.00 0.00 177.00 178.79 1iah n VAL 1573N 6.43 0.58 -1.25 -0.36 0.24 -1.26 -4.87 118.33 117.84 1iah n VAL 1573Ca 0.23 -0.10 -0.41 0.00 -2.04 0.00 0.00 64.34 62.02 1iah n VAL 1573Cb 0.43 -2.19 -0.01 0.00 -1.47 0.00 0.00 33.84 30.60 1iah n VAL 1573CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1iah n PRO 1574N 6.64 0.00 -2.71 7.34 -0.02 -1.26 -4.90 135.00 140.09 1iah n PRO 1574Ca 0.19 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.24 1iah n PRO 1574Cb 0.38 -0.93 -0.03 0.00 -0.02 0.00 0.00 33.50 32.90 1iah n PRO 1574CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1iah s PRO 1575N -0.93 3.70 -0.04 0.52 0.04 -1.26 -5.04 135.00 131.99 1iah s PRO 1575Ca 0.57 0.47 0.05 0.00 0.04 0.00 0.00 61.00 62.13 1iah s PRO 1575Cb -0.70 -3.89 -0.02 0.00 0.04 0.00 0.00 34.50 29.93 1iah s PRO 1575CO 0.56 -1.23 -0.19 1.03 0.04 0.00 0.00 177.00 177.21 1iah s ARG 1576N 4.02 2.36 0.00 4.56 3.00 -1.26 -5.07 118.95 126.56 1iah s ARG 1576Ca 0.43 -0.79 0.00 0.00 0.00 0.00 0.00 55.73 55.37 1iah s ARG 1576Cb -0.09 -2.24 0.00 0.00 0.00 0.00 0.00 34.95 32.61 1iah s ARG 1576CO 0.27 0.59 0.00 0.41 0.00 0.00 0.00 175.30 176.57 1iah n GLY 1577N 2.39 4.28 3.37 -3.53 0.00 -1.26 -4.91 105.19 105.52 1iah n GLY 1577Ca -0.17 -1.47 -0.33 0.00 0.00 0.00 0.00 46.02 44.05 1iah n GLY 1577CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1iah s GLU 1578N -3.54 3.41 0.12 1.61 2.56 0.38 -4.82 118.70 118.42 1iah s GLU 1578Ca 0.00 -0.66 -0.30 0.00 0.00 0.00 0.00 54.97 54.01 1iah s GLU 1578Cb 0.00 -2.75 -0.07 0.00 2.00 0.00 0.00 34.13 33.32 1iah s GLU 1578CO 0.00 0.12 1.14 -1.25 -0.56 0.00 0.00 175.26 174.71 1iah s PRO 1579N 0.62 4.51 0.06 4.30 0.04 -1.26 -0.09 135.00 143.18 1iah s PRO 1579Ca -0.06 1.73 -0.05 0.00 0.04 0.00 0.00 61.00 62.67 1iah s PRO 1579Cb -0.15 -3.31 -0.02 0.00 0.04 0.00 0.00 34.50 31.06 1iah s PRO 1579CO 0.03 -0.09 0.08 0.14 0.04 0.00 0.00 177.00 177.21 1iah s VAL 1580N 0.39 0.16 -0.24 -0.36 -7.23 -0.19 -4.30 120.40 108.63 1iah s VAL 1580Ca 0.54 -1.33 -0.08 0.00 -1.81 0.00 0.00 61.98 59.29 1iah s VAL 1580Cb -0.29 -1.21 -0.04 0.00 0.56 0.00 0.00 36.38 35.40 1iah s VAL 1580CO 0.32 -0.74 0.10 -0.89 -0.31 0.00 0.00 175.10 173.58 1iah s THR 1581N -3.36 4.69 -0.20 5.32 2.01 -0.78 -1.65 115.64 121.66 1iah s THR 1581Ca 0.01 -0.05 -0.10 0.00 0.31 0.00 0.00 61.69 61.87 1iah s THR 1581Cb 0.03 -3.18 -0.05 0.00 0.01 0.00 0.00 72.50 69.31 1iah s THR 1581CO -0.08 0.35 0.13 -0.69 -0.69 0.00 0.00 174.62 173.64 1iah s VAL 1582N 1.32 5.39 -0.06 3.82 1.01 0.12 -1.13 120.40 130.87 1iah s VAL 1582Ca 0.06 0.18 0.06 0.00 0.00 0.00 0.00 61.98 62.27 1iah s VAL 1582Cb -0.15 -3.46 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 1iah s VAL 1582CO 0.05 0.43 -0.23 -0.31 0.00 0.00 0.00 175.10 175.04 1iah s TYR 1583N 0.43 2.49 0.07 5.22 2.02 0.16 -1.81 117.35 125.92 1iah s TYR 1583Ca 0.08 -0.61 0.07 0.00 -0.37 0.00 0.00 57.07 56.24 1iah s TYR 1583Cb -0.11 -1.61 -0.04 0.00 -0.40 0.00 0.00 41.96 39.80 1iah s TYR 1583CO -0.01 -0.14 -0.12 0.50 -1.57 0.00 0.00 175.55 174.21 1iah s ARG 1584N -0.26 2.16 -0.47 -0.62 3.52 -1.26 -0.27 118.95 121.75 1iah s ARG 1584Ca -0.00 -0.98 -0.19 0.00 -0.13 0.00 0.00 55.73 54.43 1iah s ARG 1584Cb -0.13 -2.30 0.04 0.00 -1.56 0.00 0.00 34.95 31.00 1iah s ARG 1584CO 0.03 0.53 0.59 -1.17 -0.81 0.00 0.00 175.30 174.46 1iah s LEU 1585N -1.91 4.82 0.72 -0.88 2.96 -1.26 -0.66 118.68 122.47 1iah s LEU 1585Ca 0.19 -0.71 -0.09 0.00 -0.22 0.00 0.00 54.13 53.30 1iah s LEU 1585Cb -0.11 -2.51 0.05 0.00 0.50 0.00 0.00 46.19 44.12 1iah s LEU 1585CO 0.11 -0.79 1.07 -1.61 -1.32 0.00 0.00 176.35 173.80 1iah s GLU 1586N 2.57 2.34 -0.00 1.98 2.02 0.38 -4.86 118.70 123.13 1iah s GLU 1586Ca 0.16 0.03 0.04 0.00 0.02 0.00 0.00 54.97 55.23 1iah s GLU 1586Cb -0.17 -2.08 -0.01 0.00 0.10 0.00 0.00 34.13 31.96 1iah s GLU 1586CO 0.14 -1.25 -0.13 -1.21 0.02 0.00 0.00 175.26 172.83 1iah s GLU 1587N -5.34 1.03 0.18 1.61 0.41 -1.26 -1.91 118.70 113.42 1iah s GLU 1587Ca 0.59 -0.52 -0.04 0.00 -0.41 0.00 0.00 54.97 54.59 1iah s GLU 1587Cb -0.11 -1.01 0.08 0.00 -1.78 0.00 0.00 34.13 31.31 1iah s GLU 1587CO 0.47 0.27 1.49 0.66 -0.49 0.00 0.00 175.26 177.66 1iah h SER 1588N 5.64 0.66 -2.37 -0.19 4.64 -1.46 -3.37 113.55 117.10 1iah h SER 1588Ca -0.34 -0.36 -0.59 0.00 -0.47 0.00 0.00 61.79 60.03 1iah h SER 1588Cb 1.17 -0.19 -0.39 0.00 -0.31 0.00 0.00 62.40 62.68 1iah h SER 1588CO 0.48 1.08 -0.95 -1.20 -0.87 0.00 0.00 176.83 175.37 1iah n SER 1589N -3.96 0.08 -0.08 4.97 7.64 -1.26 -4.95 113.62 116.06 1iah n SER 1589Ca -0.03 -2.54 0.23 0.00 1.01 0.00 0.00 58.87 57.54 1iah n SER 1589Cb 0.61 -0.59 0.69 0.00 -1.01 0.00 0.00 64.21 63.92 1iah n SER 1589CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1iah h PRO 1590N 5.30 0.03 -0.20 1.43 0.11 -1.95 -0.21 132.00 136.49 1iah h PRO 1590Ca 0.22 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.22 1iah h PRO 1590Cb 0.88 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 1iah h PRO 1590CO 0.43 0.02 -0.36 0.66 -0.21 0.00 0.00 178.00 178.54 1iah h SER 1591N 0.03 0.46 -2.20 -2.05 4.64 -1.96 -3.24 113.55 109.23 1iah h SER 1591Ca 0.33 -0.18 -0.60 0.00 -0.47 0.00 0.00 61.79 60.87 1iah h SER 1591Cb 1.29 -0.13 -0.42 0.00 -0.31 0.00 0.00 62.40 62.84 1iah h SER 1591CO -0.01 0.78 -0.61 -0.38 -0.87 0.00 0.00 176.83 175.74 1iah n ILE 1592N -4.06 2.38 -0.29 0.95 -0.00 -0.11 -4.95 119.36 113.29 1iah n ILE 1592Ca -0.01 -5.24 0.10 0.00 -0.00 0.00 0.00 62.75 57.59 1iah n ILE 1592Cb 0.47 -2.02 0.25 0.00 -0.00 0.00 0.00 39.64 38.34 1iah n ILE 1592CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.55 176.80 1iah h LEU 1593N 4.04 0.30 -0.34 1.39 5.85 -1.53 0.74 115.31 125.76 1iah h LEU 1593Ca 0.19 0.13 0.00 0.00 0.84 0.00 0.00 57.88 59.04 1iah h LEU 1593Cb 0.65 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.79 1iah h LEU 1593CO 0.83 0.05 0.00 -0.46 -0.34 0.00 0.00 178.44 178.52 1iah n ASN 1594N -5.03 0.27 -0.34 1.25 6.94 -1.26 -1.78 115.26 115.31 1iah n ASN 1594Ca 0.19 0.58 0.08 0.00 -0.02 0.00 0.00 54.58 55.40 1iah n ASN 1594Cb 0.55 -0.63 0.17 0.00 -2.36 0.00 0.00 39.78 37.51 1iah n ASN 1594CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1iah n ASN 1595N -1.80 2.30 -4.68 0.53 3.02 0.21 -5.03 115.26 109.80 1iah n ASN 1595Ca 0.02 -3.35 -0.30 0.00 -0.03 0.00 0.00 54.58 50.93 1iah n ASN 1595Cb 0.16 -0.48 -0.08 0.00 -0.61 0.00 0.00 39.78 38.77 1iah n ASN 1595CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1iah s SER 1596N -2.89 4.98 -0.15 6.41 0.15 -0.73 -4.82 113.70 116.66 1iah s SER 1596Ca 0.35 -0.20 -0.11 0.00 0.70 0.00 0.00 55.95 56.69 1iah s SER 1596Cb 0.32 -1.17 -0.05 0.00 -1.71 0.00 0.00 66.02 63.41 1iah s SER 1596CO 0.01 0.17 0.21 -0.32 1.20 0.00 0.00 173.24 174.51 1iah s MET 1597N -2.35 3.98 -0.08 5.44 1.75 -1.26 -4.84 119.30 121.93 1iah s MET 1597Ca 0.26 -0.03 -0.15 0.00 -1.25 0.00 0.00 55.69 54.51 1iah s MET 1597Cb -0.12 -3.34 -0.05 0.00 2.84 0.00 0.00 34.83 34.17 1iah s MET 1597CO 0.18 0.45 0.39 -1.12 -0.65 0.00 0.00 175.02 174.28 1iah s SER 1598N -0.14 6.67 -0.14 1.11 0.01 -1.26 -1.15 113.70 118.80 1iah s SER 1598Ca 0.14 0.79 -0.10 0.00 1.31 0.00 0.00 55.95 58.09 1iah s SER 1598Cb -0.12 -2.24 0.04 0.00 0.21 0.00 0.00 66.02 63.91 1iah s SER 1598CO 0.03 0.17 0.35 -0.94 0.41 0.00 0.00 173.24 173.26 1iah s SER 1599N -0.18 -0.39 0.45 2.44 1.04 -0.80 -4.98 113.70 111.28 1iah s SER 1599Ca 0.22 0.73 -0.24 0.00 0.48 0.00 0.00 55.95 57.14 1iah s SER 1599Cb -0.15 0.68 -0.07 0.00 0.10 0.00 0.00 66.02 66.57 1iah s SER 1599CO 0.10 -0.15 1.22 0.26 0.98 0.00 0.00 173.24 175.65 1iah s TRP 1600N 0.68 2.82 0.67 5.02 0.52 -1.26 -0.47 118.94 126.92 1iah s TRP 1600Ca -0.04 1.49 -0.16 0.00 0.02 0.00 0.00 56.10 57.42 1iah s TRP 1600Cb -0.05 -3.49 0.01 0.00 -1.15 0.00 0.00 33.47 28.78 1iah s TRP 1600CO -0.05 -1.77 1.16 -1.54 0.02 0.00 0.00 176.95 174.78 1iah s SER 1601N -1.14 4.81 -0.19 2.95 1.04 0.17 -4.83 113.70 116.51 1iah s SER 1601Ca 0.62 2.19 -0.16 0.00 0.48 0.00 0.00 55.95 59.08 1iah s SER 1601Cb -0.32 -2.57 -0.07 0.00 0.10 0.00 0.00 66.02 63.16 1iah s SER 1601CO 0.40 -1.84 -0.31 0.00 0.98 0.00 0.00 173.24 172.47 1iah n GLN 1602N -2.36 0.53 -2.92 4.02 3.00 -1.26 -4.87 117.38 113.50 1iah n GLN 1602Ca 0.12 0.27 -0.41 0.00 -0.01 0.00 0.00 57.00 56.97 1iah n GLN 1602Cb 0.51 -1.49 -0.04 0.00 0.00 0.00 0.00 30.24 29.22 1iah n GLN 1602CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1iah s LEU 1603N -7.91 4.13 0.68 1.08 2.96 -1.26 -5.05 118.68 113.31 1iah s LEU 1603Ca -0.28 1.07 -0.14 0.00 -0.22 0.00 0.00 54.13 54.56 1iah s LEU 1603Cb 0.05 -3.16 0.01 0.00 0.50 0.00 0.00 46.19 43.59 1iah s LEU 1603CO 0.41 -0.43 1.09 -0.83 -1.32 0.00 0.00 176.35 175.27 1iah s GLY 1604N 1.24 1.98 0.14 7.98 0.00 -1.26 -4.97 107.32 112.43 1iah s GLY 1604Ca 0.35 0.40 0.09 0.00 0.00 0.00 0.00 44.72 45.56 1iah s GLY 1604CO 0.10 0.74 -0.15 1.08 0.00 0.00 0.00 173.10 174.87 1iah s LEU 1605N -5.11 2.81 0.19 0.66 1.43 -0.75 -4.91 118.68 113.00 1iah s LEU 1605Ca 0.64 -0.56 -0.18 0.00 -1.03 0.00 0.00 54.13 53.00 1iah s LEU 1605Cb -0.18 -1.60 -0.08 0.00 0.03 0.00 0.00 46.19 44.36 1iah s LEU 1605CO 0.45 0.15 0.67 0.00 0.23 0.00 0.00 176.35 177.85 1iah s ALA 1607N -1.47 -1.12 -0.06 0.00 0.00 -0.66 0.19 121.76 118.65 1iah s ALA 1607Ca 0.40 -0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.26 1iah s ALA 1607Cb -0.17 0.87 0.02 0.00 0.00 0.00 0.00 23.12 23.84 1iah s ALA 1607CO 0.20 -0.85 -0.06 0.21 0.00 0.00 0.00 175.76 175.26 1iah s LYS 1608N -3.86 1.08 -0.04 0.00 2.47 0.42 -1.02 119.74 118.79 1iah s LYS 1608Ca 0.08 -0.17 0.05 0.00 -1.56 0.00 0.00 55.97 54.38 1iah s LYS 1608Cb -0.02 -1.06 -0.01 0.00 -1.46 0.00 0.00 37.83 35.28 1iah s LYS 1608CO -0.02 -0.10 -0.20 0.96 0.16 0.00 0.00 175.35 176.15 1iah s ILE 1609N 1.05 1.64 -0.32 5.43 -4.36 0.87 -0.37 121.20 125.14 1iah s ILE 1609Ca -0.09 -0.85 -0.18 0.00 -0.26 0.00 0.00 60.65 59.28 1iah s ILE 1609Cb -0.14 -1.39 -0.01 0.00 1.25 0.00 0.00 42.46 42.17 1iah s ILE 1609CO -0.00 0.46 0.49 -1.61 0.24 0.00 0.00 174.94 174.52 1iah s GLU 1610N -0.19 3.78 -1.32 0.37 2.02 0.49 0.14 118.70 123.99 1iah s GLU 1610Ca 0.00 -0.02 -0.15 0.00 0.02 0.00 0.00 54.97 54.82 1iah s GLU 1610Cb -0.11 -3.75 0.09 0.00 0.10 0.00 0.00 34.13 30.47 1iah s GLU 1610CO 0.01 -0.53 1.82 1.19 0.02 0.00 0.00 175.26 177.78 1iah n PHE 1611N 5.64 4.24 1.10 1.61 3.01 -1.26 0.41 117.46 132.21 1iah n PHE 1611Ca -0.05 -2.97 0.11 0.00 1.01 0.00 0.00 57.45 55.55 1iah n PHE 1611Cb 0.49 -2.45 0.58 0.00 -0.01 0.00 0.00 39.48 38.09 1iah n PHE 1611CO 0.00 0.00 0.00 1.47 1.01 0.00 0.00 176.76 179.24 1iah n LEU 1612N 6.73 0.00 -3.95 4.37 -0.00 -1.26 -4.86 117.00 118.03 1iah n LEU 1612Ca 0.46 0.24 -0.08 0.00 -0.00 0.00 0.00 56.01 56.63 1iah n LEU 1612Cb 0.42 -0.24 -0.09 0.00 -0.00 0.00 0.00 43.42 43.52 1iah n LEU 1612CO 0.78 -0.07 -0.22 -0.94 -0.00 0.00 0.00 177.39 176.95 1iah s SER 1613N -2.48 0.25 0.00 1.45 1.04 -1.25 -5.00 113.70 107.70 1iah s SER 1613Ca 0.23 -0.71 0.02 0.00 0.48 0.00 0.00 55.95 55.98 1iah s SER 1613Cb 0.15 0.26 0.05 0.00 0.10 0.00 0.00 66.02 66.58 1iah s SER 1613CO 0.32 -0.61 0.92 2.29 0.98 0.00 0.00 173.24 177.15 1iah n LYS 1614N 0.30 2.00 -2.56 4.02 0.00 -1.26 -4.85 118.16 115.81 1iah n LYS 1614Ca -0.16 -1.35 -0.42 0.00 -0.00 0.00 0.00 58.31 56.38 1iah n LYS 1614Cb 0.60 -1.05 -0.03 0.00 -0.00 0.00 0.00 35.03 34.56 1iah n LYS 1614CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1iah s GLU 1615N -0.78 3.44 -0.66 -1.58 2.56 -1.26 -4.99 118.70 115.42 1iah s GLU 1615Ca 0.04 0.18 -0.16 0.00 0.00 0.00 0.00 54.97 55.03 1iah s GLU 1615Cb 0.02 -4.06 0.15 0.00 2.00 0.00 0.00 34.13 32.25 1iah s GLU 1615CO 0.03 -1.79 0.68 -1.21 -0.56 0.00 0.00 175.26 172.40 1iah s GLU 1616N 5.16 3.22 0.61 4.30 2.02 -1.26 -4.41 118.70 128.35 1iah s GLU 1616Ca 0.42 -1.82 -0.15 0.00 0.02 0.00 0.00 54.97 53.44 1iah s GLU 1616Cb -0.08 -4.37 -0.03 0.00 0.10 0.00 0.00 34.13 29.75 1iah s GLU 1616CO 0.23 -1.41 1.07 -1.64 0.02 0.00 0.00 175.26 173.54 1iah s MET 1617N 1.57 3.17 0.00 1.61 -1.94 0.13 -4.69 119.30 119.15 1iah s MET 1617Ca 0.12 1.24 0.00 0.00 -1.71 0.00 0.00 55.69 55.34 1iah s MET 1617Cb -0.21 -2.01 0.00 0.00 2.01 0.00 0.00 34.83 34.62 1iah s MET 1617CO -0.00 -0.94 0.00 0.41 -0.01 0.00 0.00 175.02 174.48 1iah n GLY 1618N -0.90 2.13 0.00 -0.03 0.00 -1.26 -0.49 105.19 104.64 1iah n GLY 1618Ca 0.09 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.17 1iah n GLY 1618CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iah n GLY 1619N 1.64 0.88 0.00 -0.02 0.00 -1.26 -4.93 105.19 101.50 1iah n GLY 1619Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1iah n GLY 1619CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iah n GLY 1620N 0.28 -1.15 0.04 -0.02 0.00 -1.26 -4.87 105.19 98.20 1iah n GLY 1620Ca 0.00 -1.16 0.13 0.00 0.00 0.00 0.00 46.02 45.00 1iah n GLY 1620CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1iah n LEU 1621N 0.00 0.36 -4.47 0.99 4.77 -1.26 -4.86 117.00 112.53 1iah n LEU 1621Ca 0.00 0.47 -0.22 0.00 -0.03 0.00 0.00 56.01 56.23 1iah n LEU 1621Cb 0.00 -0.40 -0.11 0.00 -2.33 0.00 0.00 43.42 40.59 1iah n LEU 1621CO 0.00 -0.06 -0.31 -0.13 -1.33 0.00 0.00 177.39 175.56 1iah s ARG 1622N -3.04 1.66 0.01 3.23 0.52 -1.26 -0.72 118.95 119.34 1iah s ARG 1622Ca 0.12 -1.89 0.04 0.00 -0.52 0.00 0.00 55.73 53.47 1iah s ARG 1622Cb 0.16 -1.10 -0.01 0.00 0.52 0.00 0.00 34.95 34.52 1iah s ARG 1622CO 0.58 -0.08 -0.11 0.50 0.02 0.00 0.00 175.30 176.21 1iah s ARG 1623N -3.80 0.84 -0.10 3.54 6.06 -0.33 -4.35 118.95 120.82 1iah s ARG 1623Ca 0.34 -0.49 0.02 0.00 -2.50 0.00 0.00 55.73 53.10 1iah s ARG 1623Cb 0.07 -0.81 -0.01 0.00 0.06 0.00 0.00 34.95 34.25 1iah s ARG 1623CO 0.14 0.21 -0.16 0.00 -2.50 0.00 0.00 175.30 173.00 1iah s ALA 1624N -0.46 2.51 -0.04 6.12 0.00 0.36 -2.44 121.76 127.81 1iah s ALA 1624Ca 0.03 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 51.09 1iah s ALA 1624Cb -0.05 -1.04 -0.00 0.00 0.00 0.00 0.00 23.12 22.02 1iah s ALA 1624CO 0.00 0.34 -0.16 0.08 0.00 0.00 0.00 175.76 176.01 1iah s VAL 1625N 0.06 1.37 0.22 0.00 1.01 -0.77 0.17 120.40 122.46 1iah s VAL 1625Ca -0.07 -0.69 -0.26 0.00 0.00 0.00 0.00 61.98 60.96 1iah s VAL 1625Cb -0.15 -1.18 -0.09 0.00 0.00 0.00 0.00 36.38 34.97 1iah s VAL 1625CO 0.05 0.40 0.85 -0.54 0.00 0.00 0.00 175.10 175.85 1iah s LYS 1626N -0.00 4.63 0.14 2.72 1.02 -1.26 -0.89 119.74 126.10 1iah s LYS 1626Ca -0.03 1.26 -0.01 0.00 0.02 0.00 0.00 55.97 57.22 1iah s LYS 1626Cb -0.11 -3.17 -0.04 0.00 -0.52 0.00 0.00 37.83 34.00 1iah s LYS 1626CO 0.02 0.50 0.06 0.14 -0.92 0.00 0.00 175.35 175.14 1iah s VAL 1627N -1.26 0.15 0.03 3.17 -7.23 0.21 -3.96 120.40 111.51 1iah s VAL 1627Ca 0.40 -1.93 0.06 0.00 -1.81 0.00 0.00 61.98 58.70 1iah s VAL 1627Cb -0.23 -2.10 -0.03 0.00 0.56 0.00 0.00 36.38 34.58 1iah s VAL 1627CO 0.27 -0.42 -0.13 -0.22 -0.31 0.00 0.00 175.10 174.29 1iah s LEU 1628N -3.07 2.88 -0.41 1.32 2.96 0.17 -0.76 118.68 121.76 1iah s LEU 1628Ca 0.25 -0.31 -0.15 0.00 -0.22 0.00 0.00 54.13 53.71 1iah s LEU 1628Cb 0.07 -1.67 0.02 0.00 0.50 0.00 0.00 46.19 45.11 1iah s LEU 1628CO 0.03 0.26 0.29 0.00 -1.32 0.00 0.00 176.35 175.61 1iah h THR 1630N 5.65 0.07 -3.20 0.00 2.02 -1.02 2.06 112.91 118.48 1iah h THR 1630Ca -0.27 -0.68 -0.09 0.00 0.77 0.00 0.00 66.41 66.15 1iah h THR 1630Cb 1.12 0.11 -0.17 0.00 -1.74 0.00 0.00 68.15 67.47 1iah h THR 1630CO 0.73 0.02 -0.20 -1.66 0.37 0.00 0.00 175.52 174.78 1iah s TRP 1631N -3.18 -0.16 -0.06 3.16 1.48 -1.17 -3.68 118.94 115.32 1iah s TRP 1631Ca -0.08 0.06 -0.03 0.00 -1.06 0.00 0.00 56.10 55.00 1iah s TRP 1631Cb 0.01 0.14 0.04 0.00 -1.16 0.00 0.00 33.47 32.50 1iah s TRP 1631CO 0.24 -0.53 0.13 -1.54 -4.06 0.00 0.00 176.95 171.19 1iah s SER 1632N -2.04 0.04 -0.07 -2.66 1.04 -1.26 0.16 113.70 108.91 1iah s SER 1632Ca -0.05 0.27 -0.36 0.00 0.48 0.00 0.00 55.95 56.28 1iah s SER 1632Cb -0.01 0.16 -0.14 0.00 0.10 0.00 0.00 66.02 66.13 1iah s SER 1632CO -0.03 -0.16 1.69 1.21 0.98 0.00 0.00 173.24 176.93 1iah n GLU 1633N 4.36 1.67 -1.00 4.02 2.13 0.51 0.43 120.64 132.76 1iah n GLU 1633Ca -0.24 0.61 0.00 0.00 0.66 0.00 0.00 57.16 58.19 1iah n GLU 1633Cb 0.51 -2.36 0.00 0.00 0.27 0.00 0.00 31.44 29.87 1iah n GLU 1633CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1iah n HIS 1634N 4.92 0.00 -3.71 4.31 8.25 -1.26 -3.47 115.22 124.26 1iah n HIS 1634Ca 0.22 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.43 1iah n HIS 1634Cb 0.22 -0.96 0.06 0.00 1.12 0.00 0.00 29.99 30.43 1iah n HIS 1634CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1iah n ASP 1635N -0.48 -4.97 -0.10 0.41 8.00 0.17 -4.86 116.55 114.72 1iah n ASP 1635Ca 0.00 -0.66 -0.03 0.00 0.71 0.00 0.00 54.79 54.81 1iah n ASP 1635Cb 0.24 -4.54 0.19 0.00 -0.02 0.00 0.00 41.12 36.99 1iah n ASP 1635CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1iah h ILE 1636N -2.34 1.23 -2.41 0.53 2.10 -1.71 -3.41 117.51 111.50 1iah h ILE 1636Ca -0.58 -0.91 -0.56 0.00 1.08 0.00 0.00 64.86 63.88 1iah h ILE 1636Cb 1.37 0.82 -0.09 0.00 -1.09 0.00 0.00 36.82 37.83 1iah h ILE 1636CO 0.60 0.33 -0.63 -0.76 -1.08 0.00 0.00 178.15 176.60 1iah s LEU 1637N -9.20 3.32 -0.21 2.19 1.43 -1.26 -5.10 118.68 109.84 1iah s LEU 1637Ca -0.09 -0.52 -0.15 0.00 -1.03 0.00 0.00 54.13 52.34 1iah s LEU 1637Cb 0.15 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 1iah s LEU 1637CO 0.80 0.02 0.38 -0.54 0.23 0.00 0.00 176.35 177.24 1iah s LYS 1638N -3.48 4.15 0.47 1.70 1.02 -1.26 -4.54 119.74 117.80 1iah s LYS 1638Ca 0.30 0.16 -0.24 0.00 0.02 0.00 0.00 55.97 56.21 1iah s LYS 1638Cb -0.07 -3.55 -0.07 0.00 -0.52 0.00 0.00 37.83 33.62 1iah s LYS 1638CO 0.20 -0.06 1.29 -1.54 -0.92 0.00 0.00 175.35 174.32 1iah s SER 1639N 1.10 5.89 -1.32 2.83 1.04 -1.26 -2.78 113.70 119.21 1iah s SER 1639Ca 0.18 2.61 -0.08 0.00 0.48 0.00 0.00 55.95 59.14 1iah s SER 1639Cb -0.15 -2.63 0.01 0.00 0.10 0.00 0.00 66.02 63.35 1iah s SER 1639CO 0.08 -1.13 1.15 0.61 0.98 0.00 0.00 173.24 174.93 1iah n GLY 1640N 0.62 -0.51 2.96 7.32 0.00 0.70 -4.97 105.19 111.30 1iah n GLY 1640Ca 0.07 0.23 -0.12 0.00 0.00 0.00 0.00 46.02 46.20 1iah n GLY 1640CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1iah s HIS 1641N -3.32 0.31 0.03 1.61 4.02 -1.12 -4.96 115.29 111.87 1iah s HIS 1641Ca 0.53 -0.29 -0.25 0.00 1.02 0.00 0.00 55.06 56.07 1iah s HIS 1641Cb -0.23 -0.20 -0.05 0.00 -1.02 0.00 0.00 32.58 31.08 1iah s HIS 1641CO 0.72 -0.08 0.76 -0.51 1.02 0.00 0.00 174.74 176.65 1iah s LEU 1642N -0.82 4.44 0.29 0.89 1.43 -1.26 -1.14 118.68 122.50 1iah s LEU 1642Ca -0.07 1.42 0.06 0.00 -1.03 0.00 0.00 54.13 54.51 1iah s LEU 1642Cb -0.06 -3.22 -0.06 0.00 0.03 0.00 0.00 46.19 42.89 1iah s LEU 1642CO -0.00 0.00 -0.02 -0.31 0.23 0.00 0.00 176.35 176.24 1iah s TYR 1643N 0.03 1.91 -0.09 0.29 1.51 0.06 -1.12 117.35 119.95 1iah s TYR 1643Ca 0.38 -0.78 0.03 0.00 -1.01 0.00 0.00 57.07 55.70 1iah s TYR 1643Cb -0.20 -1.14 -0.01 0.00 -0.11 0.00 0.00 41.96 40.49 1iah s TYR 1643CO 0.22 0.19 -0.19 0.42 -1.11 0.00 0.00 175.55 175.08 1iah s ILE 1644N -3.12 2.58 -0.15 2.71 -1.09 0.94 -0.62 121.20 122.45 1iah s ILE 1644Ca 0.31 -0.86 -0.02 0.00 -2.23 0.00 0.00 60.65 57.85 1iah s ILE 1644Cb 0.05 -2.01 -0.02 0.00 -1.58 0.00 0.00 42.46 38.90 1iah s ILE 1644CO 0.12 0.56 -0.10 -0.63 -1.23 0.00 0.00 174.94 173.66 1iah s ILE 1645N -0.04 3.29 -0.04 2.92 1.01 -0.07 -1.98 121.20 126.29 1iah s ILE 1645Ca -0.05 -0.57 0.06 0.00 0.00 0.00 0.00 60.65 60.09 1iah s ILE 1645Cb -0.14 -2.41 -0.02 0.00 0.01 0.00 0.00 42.46 39.89 1iah s ILE 1645CO 0.04 0.50 -0.20 -0.54 0.00 0.00 0.00 174.94 174.75 1iah s LYS 1646N 0.53 2.33 0.06 2.79 1.02 -0.19 -1.85 119.74 124.44 1iah s LYS 1646Ca -0.07 -0.81 0.01 0.00 0.02 0.00 0.00 55.97 55.12 1iah s LYS 1646Cb -0.15 -2.22 -0.04 0.00 -0.52 0.00 0.00 37.83 34.90 1iah s LYS 1646CO 0.03 0.59 -0.05 0.45 -0.92 0.00 0.00 175.35 175.45 1iah s SER 1647N -0.66 0.76 0.56 2.83 0.15 -1.02 -2.68 113.70 113.63 1iah s SER 1647Ca 0.10 -0.90 0.01 0.00 0.70 0.00 0.00 55.95 55.86 1iah s SER 1647Cb -0.10 0.13 0.03 0.00 -1.71 0.00 0.00 66.02 64.37 1iah s SER 1647CO -0.00 -0.47 0.79 -0.36 1.20 0.00 0.00 173.24 174.40 1iah s PHE 1648N -3.25 2.88 -0.01 3.44 0.40 -1.26 -1.19 117.98 118.99 1iah s PHE 1648Ca 0.04 0.03 -0.24 0.00 -0.60 0.00 0.00 56.93 56.17 1iah s PHE 1648Cb 0.03 -2.77 -0.05 0.00 0.51 0.00 0.00 43.02 40.74 1iah s PHE 1648CO -0.06 -0.89 0.73 -0.51 0.70 0.00 0.00 175.22 175.19 1iah s LEU 1649N -4.79 4.39 0.34 -0.37 1.43 0.10 -4.86 118.68 114.91 1iah s LEU 1649Ca 0.57 1.32 0.17 0.00 -1.03 0.00 0.00 54.13 55.16 1iah s LEU 1649Cb -0.10 -3.15 1.18 0.00 0.03 0.00 0.00 46.19 44.14 1iah s LEU 1649CO 0.39 -0.04 1.48 -2.65 0.23 0.00 0.00 176.35 175.76 1iah n PRO 1650N 3.22 -0.06 -0.05 1.29 -0.02 -1.26 0.12 135.00 138.24 1iah n PRO 1650Ca -0.02 1.32 -0.07 0.00 -2.02 0.00 0.00 63.50 62.70 1iah n PRO 1650Cb 0.51 -2.32 -0.01 0.00 -0.02 0.00 0.00 33.50 31.66 1iah n PRO 1650CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1iah h GLU 1651N 0.00 -0.09 -0.56 -0.52 9.09 -1.97 0.33 114.58 120.86 1iah h GLU 1651Ca 0.76 0.01 0.08 0.00 0.05 0.00 0.00 59.36 60.26 1iah h GLU 1651Cb 1.96 0.02 -0.07 0.00 -1.65 0.00 0.00 28.75 29.02 1iah h GLU 1651CO -0.75 -0.06 0.21 0.28 0.05 0.00 0.00 179.01 178.74 1iah h VAL 1652N -0.10 0.80 0.85 -1.06 2.07 0.51 0.14 116.25 119.46 1iah h VAL 1652Ca 0.13 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 1iah h VAL 1652Cb 0.30 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1iah h VAL 1652CO -0.31 0.07 -0.46 0.40 0.02 0.00 0.00 177.57 177.29 1iah h ILE 1653N 0.39 0.00 -1.00 4.57 5.03 -0.73 -0.88 117.51 124.90 1iah h ILE 1653Ca 0.28 0.00 0.38 0.00 -0.12 0.00 0.00 64.86 65.39 1iah h ILE 1653Cb 0.32 0.00 -0.17 0.00 -3.03 0.00 0.00 36.82 33.94 1iah h ILE 1653CO -0.28 0.00 0.50 0.78 -0.68 0.00 0.00 178.15 178.47 1iah h ASN 1654N -1.20 0.31 0.08 1.72 4.21 0.26 0.68 115.58 121.63 1iah h ASN 1654Ca -0.11 0.24 -0.00 0.00 1.21 0.00 0.00 56.30 57.63 1iah h ASN 1654Cb 0.94 0.25 0.00 0.00 -1.12 0.00 0.00 38.32 38.39 1iah h ASN 1654CO 0.15 -0.34 -0.04 0.74 -1.29 0.00 0.00 177.43 176.66 1iah h THR 1655N 0.10 1.05 0.00 2.81 2.02 -0.06 -3.06 112.91 115.76 1iah h THR 1655Ca 0.79 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 67.52 1iah h THR 1655Cb 1.98 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 69.73 1iah h THR 1655CO -0.73 0.11 0.00 0.79 0.37 0.00 0.00 175.52 176.06 1iah n TRP 1656N -5.04 0.29 0.22 3.16 7.02 0.18 -3.24 117.44 120.04 1iah n TRP 1656Ca -0.08 0.09 0.17 0.00 -1.02 0.00 0.00 57.50 56.65 1iah n TRP 1656Cb 0.15 -0.65 0.84 0.00 -2.42 0.00 0.00 31.31 29.23 1iah n TRP 1656CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1iah h SER 1657N 0.00 0.00 -0.14 -0.99 0.87 0.14 1.05 113.55 114.47 1iah h SER 1657Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1iah h SER 1657Cb 0.53 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1iah h SER 1657CO 0.00 0.00 0.00 -1.20 -0.53 0.00 0.00 176.83 175.10 1iah n SER 1658N -3.84 1.53 0.00 6.23 7.64 -1.20 -2.76 113.62 121.21 1iah n SER 1658Ca 0.01 -2.11 0.00 0.00 1.01 0.00 0.00 58.87 57.77 1iah n SER 1658Cb 0.28 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 1iah n SER 1658CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1iah n ILE 1659N 0.07 0.00 -3.43 0.44 2.08 0.19 -4.92 119.36 113.79 1iah n ILE 1659Ca 0.06 0.00 -0.27 0.00 0.56 0.00 0.00 62.75 63.10 1iah n ILE 1659Cb 0.32 0.00 -0.08 0.00 -0.75 0.00 0.00 39.64 39.12 1iah n ILE 1659CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 1iah n TYR 1660N -0.87 3.04 -0.31 1.39 4.01 0.31 -4.93 117.16 119.79 1iah n TYR 1660Ca 0.00 -4.08 0.25 0.00 -0.16 0.00 0.00 57.90 53.91 1iah n TYR 1660Cb 0.00 -0.53 0.55 0.00 -0.31 0.00 0.00 39.34 39.06 1iah n TYR 1660CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1iah h LYS 1661N 4.26 0.31 -5.81 -0.72 1.63 -1.74 -3.32 116.57 111.18 1iah h LYS 1661Ca 0.18 -0.02 -0.67 0.00 -0.85 0.00 0.00 60.65 59.29 1iah h LYS 1661Cb 0.70 -0.07 -0.25 0.00 -0.60 0.00 0.00 32.23 32.01 1iah h LYS 1661CO 0.77 0.20 -0.77 -1.21 -3.45 0.00 0.00 179.45 174.99 1iah s GLU 1662N -5.39 2.94 -1.37 1.90 2.02 -1.26 -4.71 118.70 112.83 1iah s GLU 1662Ca -0.08 -0.70 -0.05 0.00 0.02 0.00 0.00 54.97 54.16 1iah s GLU 1662Cb 0.25 -2.49 0.00 0.00 0.10 0.00 0.00 34.13 31.99 1iah s GLU 1662CO 0.80 0.41 0.44 -0.25 0.02 0.00 0.00 175.26 176.68 1iah n ASP 1663N 2.94 -1.04 -0.02 -0.19 8.00 -1.26 -4.82 116.55 120.15 1iah n ASP 1663Ca -0.18 -1.05 -0.09 0.00 0.71 0.00 0.00 54.79 54.18 1iah n ASP 1663Cb 0.52 -2.90 -0.03 0.00 -0.02 0.00 0.00 41.12 38.70 1iah n ASP 1663CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1iah h THR 1664N -1.88 0.35 -0.03 -3.53 2.02 -1.84 -1.56 112.91 106.43 1iah h THR 1664Ca -0.64 0.00 0.02 0.00 0.77 0.00 0.00 66.41 66.56 1iah h THR 1664Cb 1.38 0.35 -0.05 0.00 -1.74 0.00 0.00 68.15 68.08 1iah h THR 1664CO 0.61 0.00 -0.48 0.58 0.37 0.00 0.00 175.52 176.60 1iah h VAL 1665N -0.32 0.00 -0.72 3.16 2.07 -1.91 -0.12 116.25 118.42 1iah h VAL 1665Ca 0.12 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.79 1iah h VAL 1665Cb 0.50 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.16 1iah h VAL 1665CO -0.37 0.00 0.17 0.25 0.02 0.00 0.00 177.57 177.64 1iah h LEU 1666N -0.58 0.01 -0.54 2.57 5.85 -1.84 -0.31 115.31 120.47 1iah h LEU 1666Ca 0.01 0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.89 1iah h LEU 1666Cb 0.63 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 1iah h LEU 1666CO -0.33 -0.03 0.35 0.45 -0.34 0.00 0.00 178.44 178.54 1iah h HIS 1667N 0.27 0.66 -0.93 1.25 3.86 -0.45 0.11 115.15 119.92 1iah h HIS 1667Ca 0.40 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.65 1iah h HIS 1667Cb 0.67 -0.22 -0.05 0.00 1.06 0.00 0.00 27.41 28.87 1iah h HIS 1667CO -0.26 0.41 0.61 -0.07 0.86 0.00 0.00 177.93 179.48 1iah h LEU 1668N 0.71 1.05 -0.27 2.43 3.38 0.50 -1.09 115.31 122.01 1iah h LEU 1668Ca 0.20 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 1iah h LEU 1668Cb -0.06 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 1iah h LEU 1668CO -0.06 0.74 0.06 0.00 0.09 0.00 0.00 178.44 179.27 1iah h LEU 1670N 0.26 0.59 -0.40 0.00 3.38 -0.25 -1.06 115.31 117.84 1iah h LEU 1670Ca 0.08 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 1iah h LEU 1670Cb 0.30 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1iah h LEU 1670CO 0.00 0.31 -0.03 0.03 0.09 0.00 0.00 178.44 178.84 1iah h ARG 1671N 0.71 0.73 -0.44 1.13 3.08 -0.88 -1.43 114.38 117.28 1iah h ARG 1671Ca 0.41 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 1iah h ARG 1671Cb 0.46 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 1iah h ARG 1671CO -0.29 0.84 0.25 0.93 -1.07 0.00 0.00 179.97 180.63 1iah h GLU 1672N 0.56 0.60 -0.41 0.04 4.39 -0.48 0.25 114.58 119.53 1iah h GLU 1672Ca 0.11 -0.06 -0.12 0.00 0.34 0.00 0.00 59.36 59.63 1iah h GLU 1672Cb 0.53 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1iah h GLU 1672CO 0.03 0.46 -0.24 0.82 -1.16 0.00 0.00 179.01 178.92 1iah h ILE 1673N 0.57 1.27 -0.65 3.13 2.04 -1.17 -1.28 117.51 121.42 1iah h ILE 1673Ca 0.15 -1.37 -0.09 0.00 1.00 0.00 0.00 64.86 64.55 1iah h ILE 1673Cb 0.02 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 1iah h ILE 1673CO -0.03 0.46 0.06 1.56 0.00 0.00 0.00 178.15 180.21 1iah h GLN 1674N 0.72 1.11 -0.54 2.37 4.20 -0.86 -1.32 115.11 120.78 1iah h GLN 1674Ca 0.09 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.48 1iah h GLN 1674Cb 0.77 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.41 1iah h GLN 1674CO 0.06 1.04 0.35 0.37 -0.67 0.00 0.00 178.83 179.98 1iah h GLN 1675N 1.03 0.73 -0.21 1.46 4.15 -0.22 -0.35 115.11 121.69 1iah h GLN 1675Ca 0.19 -0.05 -0.09 0.00 0.77 0.00 0.00 58.65 59.47 1iah h GLN 1675Cb 0.50 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 1iah h GLN 1675CO 0.02 0.50 -0.28 0.37 -1.93 0.00 0.00 178.83 177.51 1iah h GLN 1676N 0.73 0.41 -0.62 1.69 4.15 -0.95 -2.19 115.11 118.33 1iah h GLN 1676Ca 0.20 -0.16 -0.07 0.00 0.77 0.00 0.00 58.65 59.39 1iah h GLN 1676Cb -0.06 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.59 1iah h GLN 1676CO -0.04 0.65 0.11 -0.09 -1.93 0.00 0.00 178.83 177.53 1iah h ARG 1677N 0.36 1.02 -0.41 1.69 9.65 -0.70 0.60 114.38 126.59 1iah h ARG 1677Ca 0.05 -0.27 0.05 0.00 -1.10 0.00 0.00 59.98 58.71 1iah h ARG 1677Cb 0.68 -0.12 -0.05 0.00 -1.39 0.00 0.00 29.97 29.09 1iah h ARG 1677CO 0.05 0.95 0.14 0.00 2.80 0.00 0.00 179.97 183.91 1iah h ALA 1678N 1.03 0.48 -0.86 2.80 0.00 -0.71 0.17 119.26 122.16 1iah h ALA 1678Ca 0.19 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1iah h ALA 1678Cb 0.42 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1iah h ALA 1678CO 0.01 -0.25 0.56 0.00 0.00 0.00 0.00 179.25 179.57 1iah h ALA 1679N 1.27 1.11 -0.49 0.00 0.00 -0.85 -2.14 119.26 118.16 1iah h ALA 1679Ca 0.19 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1iah h ALA 1679Cb 0.19 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1iah h ALA 1679CO -0.20 0.44 0.27 1.96 0.00 0.00 0.00 179.25 181.72 1iah h GLN 1680N 1.12 0.68 -0.72 0.00 4.20 0.46 -1.45 115.11 119.41 1iah h GLN 1680Ca 0.33 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.95 1iah h GLN 1680Cb -0.06 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.55 1iah h GLN 1680CO -0.09 0.53 0.41 0.87 -0.67 0.00 0.00 178.83 179.87 1iah h LYS 1681N 0.65 0.98 -0.24 1.46 1.57 -0.20 -0.09 116.57 120.71 1iah h LYS 1681Ca 0.17 -0.10 -0.17 0.00 -1.87 0.00 0.00 60.65 58.69 1iah h LYS 1681Cb 0.04 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 1iah h LYS 1681CO -0.03 0.71 -0.54 -0.07 -0.57 0.00 0.00 179.45 178.95 1iah h LEU 1682N 0.99 0.78 -1.02 2.94 3.38 -1.17 -2.62 115.31 118.59 1iah h LEU 1682Ca 0.26 -0.42 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 1iah h LEU 1682Cb -0.00 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1iah h LEU 1682CO -0.04 1.17 -0.19 0.00 0.09 0.00 0.00 178.44 179.46 1iah h THR 1683N 0.54 1.25 -0.38 0.22 1.03 -0.79 0.30 112.91 115.09 1iah h THR 1683Ca 0.01 -1.14 -0.04 0.00 -0.01 0.00 0.00 66.41 65.23 1iah h THR 1683Cb 1.12 1.26 -0.02 0.00 -1.07 0.00 0.00 68.15 69.44 1iah h THR 1683CO 0.11 0.37 0.09 0.15 -0.01 0.00 0.00 175.52 176.22 1iah h PHE 1684N 0.43 0.64 -0.40 0.00 3.04 -0.86 0.01 116.94 119.81 1iah h PHE 1684Ca 0.07 -0.08 -0.06 0.00 3.98 0.00 0.00 57.97 61.88 1iah h PHE 1684Cb 0.58 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.90 1iah h PHE 1684CO 0.02 0.63 -0.00 0.00 -2.02 0.00 0.00 178.31 176.94 1iah h ALA 1685N 0.93 0.54 0.04 2.41 0.00 -1.22 -1.67 119.26 120.30 1iah h ALA 1685Ca 0.12 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.79 1iah h ALA 1685Cb 0.32 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1iah h ALA 1685CO 0.00 0.32 -0.25 0.35 0.00 0.00 0.00 179.25 179.67 1iah h PHE 1686N 0.54 -0.68 0.00 0.00 3.57 -0.62 0.76 116.94 120.50 1iah h PHE 1686Ca 0.11 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 1iah h PHE 1686Cb 0.48 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 1iah h PHE 1686CO 0.04 -0.35 -0.25 -0.91 -2.23 0.00 0.00 178.31 174.60 1iah h ASN 1687N -0.42 0.00 0.50 0.41 2.35 -0.97 0.15 115.58 117.60 1iah h ASN 1687Ca 0.05 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.58 1iah h ASN 1687Cb 0.48 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.85 1iah h ASN 1687CO -0.20 0.25 -0.97 -0.61 -1.65 0.00 0.00 177.43 174.25 1iah h GLN 1688N 0.00 0.29 0.00 0.81 4.15 -0.65 -3.36 115.11 116.35 1iah h GLN 1688Ca -0.00 -0.35 -0.00 0.00 0.77 0.00 0.00 58.65 59.07 1iah h GLN 1688Cb 0.57 0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.37 1iah h GLN 1688CO 0.03 1.07 -1.88 -1.33 -1.93 0.00 0.00 178.83 174.79 1iah n MET 1689N -3.66 0.58 -1.70 1.69 2.81 0.20 -5.01 117.12 112.04 1iah n MET 1689Ca -0.06 -0.18 -0.38 0.00 -1.81 0.00 0.00 57.70 55.27 1iah n MET 1689Cb 0.86 -1.46 0.05 0.00 -0.71 0.00 0.00 33.22 31.96 1iah n MET 1689CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1iah n LYS 1690N -2.17 1.38 -1.62 0.03 2.85 0.50 -4.92 118.16 114.21 1iah n LYS 1690Ca -0.04 0.52 -0.38 0.00 -1.05 0.00 0.00 58.31 57.36 1iah n LYS 1690Cb 0.50 -2.42 0.04 0.00 -0.65 0.00 0.00 35.03 32.51 1iah n LYS 1690CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1iah n PRO 1691N -1.04 1.03 0.20 -1.58 -0.02 -1.26 -4.88 135.00 127.44 1iah n PRO 1691Ca 0.12 0.39 0.07 0.00 -2.02 0.00 0.00 63.50 62.06 1iah n PRO 1691Cb 0.45 -2.17 0.57 0.00 -0.02 0.00 0.00 33.50 32.33 1iah n PRO 1691CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1iah h LYS 1692N 0.73 0.12 -0.02 -0.52 1.79 -1.98 -2.35 116.57 114.32 1iah h LYS 1692Ca -0.48 -0.01 0.01 0.00 -2.18 0.00 0.00 60.65 57.99 1iah h LYS 1692Cb 1.36 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.98 1iah h LYS 1692CO 0.52 0.11 0.04 0.66 -1.08 0.00 0.00 179.45 179.70 1iah h SER 1693N 0.12 0.00 -3.24 0.86 4.64 -2.00 -3.40 113.55 110.53 1iah h SER 1693Ca 0.03 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.78 1iah h SER 1693Cb 0.04 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.07 1iah h SER 1693CO -0.00 0.00 0.81 -0.63 -0.87 0.00 0.00 176.83 176.14 1iah s ILE 1694N -4.50 4.57 -1.32 0.95 1.01 -0.89 -4.94 121.20 116.08 1iah s ILE 1694Ca -0.05 1.81 0.29 0.00 0.00 0.00 0.00 60.65 62.70 1iah s ILE 1694Cb 0.14 -4.37 0.35 0.00 0.01 0.00 0.00 42.46 38.59 1iah s ILE 1694CO 0.51 -0.38 1.87 -0.81 0.00 0.00 0.00 174.94 176.13 1iah n PRO 1695N 6.67 0.33 -4.40 2.79 -0.04 -1.26 -4.92 135.00 134.17 1iah n PRO 1695Ca 0.12 -0.08 -0.28 0.00 -0.04 0.00 0.00 63.50 63.23 1iah n PRO 1695Cb 0.47 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.31 1iah n PRO 1695CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1iah s TYR 1696N -2.72 2.28 -0.21 0.54 2.02 -1.26 -5.12 117.35 112.89 1iah s TYR 1696Ca 0.22 -0.37 -0.02 0.00 -0.37 0.00 0.00 57.07 56.53 1iah s TYR 1696Cb 0.19 -1.17 0.06 0.00 -0.40 0.00 0.00 41.96 40.64 1iah s TYR 1696CO 0.52 0.43 0.00 -1.12 -1.57 0.00 0.00 175.55 173.80 1iah s SER 1697N -2.41 3.20 0.67 2.29 0.01 -1.26 -5.03 113.70 111.17 1iah s SER 1697Ca 0.18 -0.93 -0.17 0.00 1.31 0.00 0.00 55.95 56.34 1iah s SER 1697Cb -0.09 -0.79 0.00 0.00 0.21 0.00 0.00 66.02 65.35 1iah s SER 1697CO 0.08 -0.28 1.27 -2.84 0.41 0.00 0.00 173.24 171.89 1iah s PRO 1698N 1.70 2.42 -0.15 12.44 0.02 -1.26 -4.80 135.00 145.37 1iah s PRO 1698Ca -0.02 2.00 -0.07 0.00 0.02 0.00 0.00 61.00 62.92 1iah s PRO 1698Cb -0.18 -1.84 0.06 0.00 0.02 0.00 0.00 34.50 32.57 1iah s PRO 1698CO -0.07 -1.68 0.34 0.50 -0.33 0.00 0.00 177.00 175.76 1iah s ARG 1699N -3.51 0.28 -0.11 5.54 6.06 -0.41 -4.91 118.95 121.90 1iah s ARG 1699Ca 0.81 0.74 -0.09 0.00 -2.50 0.00 0.00 55.73 54.69 1iah s ARG 1699Cb -0.36 -0.00 -0.04 0.00 0.06 0.00 0.00 34.95 34.61 1iah s ARG 1699CO 0.41 -0.19 0.19 -0.06 -2.50 0.00 0.00 175.30 173.14 1iah s PHE 1700N 1.70 3.60 0.82 5.12 0.40 -1.26 0.18 117.98 128.54 1iah s PHE 1700Ca -0.07 0.59 -0.11 0.00 -0.60 0.00 0.00 56.93 56.74 1iah s PHE 1700Cb -0.10 -2.03 0.09 0.00 0.51 0.00 0.00 43.02 41.49 1iah s PHE 1700CO -0.11 0.67 1.13 -0.51 0.70 0.00 0.00 175.22 177.10 1iah s LEU 1701N -0.86 3.01 0.11 -0.37 1.43 -0.42 -4.90 118.68 116.68 1iah s LEU 1701Ca 0.16 2.04 -0.21 0.00 -1.03 0.00 0.00 54.13 55.09 1iah s LEU 1701Cb -0.13 -4.55 -0.07 0.00 0.03 0.00 0.00 46.19 41.47 1iah s LEU 1701CO 0.05 -2.47 0.64 -0.70 0.23 0.00 0.00 176.35 174.10 1iah s GLU 1702N -4.64 4.33 -0.03 1.70 2.12 -1.26 -4.93 118.70 115.99 1iah s GLU 1702Ca 0.65 0.89 0.06 0.00 0.36 0.00 0.00 54.97 56.93 1iah s GLU 1702Cb -0.21 -3.25 -0.02 0.00 0.26 0.00 0.00 34.13 30.91 1iah s GLU 1702CO 0.55 0.62 -0.22 0.08 -0.54 0.00 0.00 175.26 175.75 1iah s VAL 1703N -1.13 2.43 0.29 3.70 1.01 -1.26 -4.47 120.40 120.98 1iah s VAL 1703Ca 0.31 -0.96 0.10 0.00 0.00 0.00 0.00 61.98 61.44 1iah s VAL 1703Cb -0.21 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.23 1iah s VAL 1703CO 0.22 0.58 -0.08 -0.36 0.00 0.00 0.00 175.10 175.46 1iah s PHE 1704N -0.62 2.49 -0.13 5.22 0.08 0.12 -4.72 117.98 120.42 1iah s PHE 1704Ca 0.10 -0.33 -0.11 0.00 0.12 0.00 0.00 56.93 56.70 1iah s PHE 1704Cb -0.10 -1.20 -0.05 0.00 -0.57 0.00 0.00 43.02 41.10 1iah s PHE 1704CO -0.00 0.62 0.24 -1.17 -0.10 0.00 0.00 175.22 174.81 1iah s LEU 1705N -3.62 4.32 -0.01 -0.37 2.96 0.63 -0.35 118.68 122.24 1iah s LEU 1705Ca 0.32 0.52 0.03 0.00 -0.22 0.00 0.00 54.13 54.78 1iah s LEU 1705Cb -0.04 -2.27 -0.00 0.00 0.50 0.00 0.00 46.19 44.38 1iah s LEU 1705CO 0.18 0.24 -0.10 -0.22 -1.32 0.00 0.00 176.35 175.13 1iah s LEU 1706N -0.26 1.95 -0.13 -0.68 0.20 0.52 0.36 118.68 120.64 1iah s LEU 1706Ca 0.16 -0.19 0.02 0.00 0.69 0.00 0.00 54.13 54.81 1iah s LEU 1706Cb -0.13 -0.53 0.00 0.00 -0.43 0.00 0.00 46.19 45.10 1iah s LEU 1706CO 0.04 0.11 -0.20 -0.47 -0.29 0.00 0.00 176.35 175.54 1iah s TYR 1707N -0.11 2.67 -0.27 5.38 5.04 -0.28 -0.20 117.35 129.58 1iah s TYR 1707Ca 0.02 -1.10 -0.06 0.00 -2.44 0.00 0.00 57.07 53.49 1iah s TYR 1707Cb -0.05 -1.80 -0.00 0.00 0.35 0.00 0.00 41.96 40.46 1iah s TYR 1707CO -0.00 -0.47 0.05 0.00 -1.34 0.00 0.00 175.55 173.79 1iah h HIS 1709N 8.20 0.59 -0.53 0.00 -0.00 -1.85 0.49 115.15 122.06 1iah h HIS 1709Ca -0.34 -0.16 -0.02 0.00 -0.00 0.00 0.00 60.37 59.85 1iah h HIS 1709Cb 1.14 -0.13 -0.02 0.00 -0.00 0.00 0.00 27.41 28.40 1iah h HIS 1709CO 0.62 0.81 0.26 0.77 -0.00 0.00 0.00 177.93 180.39 1iah h SER 1710N 0.20 0.68 0.81 2.45 0.02 -1.94 -2.11 113.55 113.66 1iah h SER 1710Ca 0.04 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1iah h SER 1710Cb 0.69 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.05 1iah h SER 1710CO 0.04 0.61 -0.36 0.00 -1.14 0.00 0.00 176.83 175.99 1iah n ALA 1711N -2.31 2.97 -3.56 3.77 0.00 -1.22 -4.97 120.51 115.20 1iah n ALA 1711Ca 0.02 -0.23 -0.21 0.00 0.00 0.00 0.00 53.44 53.02 1iah n ALA 1711Cb 0.11 -1.25 0.08 0.00 0.00 0.00 0.00 19.45 18.38 1iah n ALA 1711CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iah n GLY 1712N 1.44 -0.43 3.75 0.00 0.00 0.16 -5.00 105.19 105.11 1iah n GLY 1712Ca 0.05 0.17 -0.06 0.00 0.00 0.00 0.00 46.02 46.18 1iah n GLY 1712CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1iah s GLN 1713N -5.86 1.42 -0.02 1.61 -2.07 -0.31 -5.00 119.66 109.43 1iah s GLN 1713Ca 0.26 -0.75 -0.06 0.00 -1.82 0.00 0.00 55.36 52.99 1iah s GLN 1713Cb -0.12 0.51 -0.04 0.00 -1.09 0.00 0.00 33.01 32.27 1iah s GLN 1713CO 0.75 -0.65 0.23 -1.58 -1.32 0.00 0.00 175.29 172.72 1iah s TRP 1714N -3.58 3.58 0.12 9.60 0.52 -1.26 -0.39 118.94 127.53 1iah s TRP 1714Ca 0.10 0.52 -0.03 0.00 0.02 0.00 0.00 56.10 56.71 1iah s TRP 1714Cb -0.03 -1.95 -0.03 0.00 -1.15 0.00 0.00 33.47 30.31 1iah s TRP 1714CO 0.02 0.64 0.10 -0.06 0.02 0.00 0.00 176.95 177.67 1iah s PHE 1715N -1.26 0.63 -0.07 -1.98 0.08 0.71 -4.84 117.98 111.25 1iah s PHE 1715Ca 0.25 -1.04 -0.04 0.00 0.12 0.00 0.00 56.93 56.23 1iah s PHE 1715Cb -0.13 -0.33 -0.04 0.00 -0.57 0.00 0.00 43.02 41.95 1iah s PHE 1715CO 0.15 -0.54 0.09 0.00 -0.10 0.00 0.00 175.22 174.81 1iah s ALA 1716N -3.99 3.63 0.03 5.36 0.00 -1.09 -0.36 121.76 125.34 1iah s ALA 1716Ca 0.18 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.42 1iah s ALA 1716Cb 0.06 -1.72 -0.02 0.00 0.00 0.00 0.00 23.12 21.44 1iah s ALA 1716CO -0.02 0.64 -0.11 0.54 0.00 0.00 0.00 175.76 176.81 1iah s VAL 1717N -1.04 0.81 0.15 0.00 0.11 0.53 -1.02 120.40 119.94 1iah s VAL 1717Ca 0.17 -0.81 -0.15 0.00 -2.93 0.00 0.00 61.98 58.26 1iah s VAL 1717Cb -0.12 -0.75 0.03 0.00 -1.53 0.00 0.00 36.38 34.00 1iah s VAL 1717CO 0.07 -0.04 0.42 -1.83 -3.33 0.00 0.00 175.10 170.39 1iah s GLU 1718N -0.95 1.17 0.73 1.54 -1.05 -0.84 0.12 118.70 119.43 1iah s GLU 1718Ca -0.01 -0.82 -0.16 0.00 -0.15 0.00 0.00 54.97 53.84 1iah s GLU 1718Cb -0.07 0.47 0.03 0.00 -0.44 0.00 0.00 34.13 34.13 1iah s GLU 1718CO 0.01 -0.47 1.21 0.39 0.95 0.00 0.00 175.26 177.35 1iah n GLU 1719N -0.26 0.64 -3.45 -4.83 1.02 -1.26 -0.04 120.64 112.46 1iah n GLU 1719Ca -0.13 0.28 -0.40 0.00 -0.02 0.00 0.00 57.16 56.90 1iah n GLU 1719Cb 0.63 -2.45 -0.10 0.00 -0.02 0.00 0.00 31.44 29.50 1iah n GLU 1719CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1iah s MET 1721N 1.93 4.48 -0.17 0.00 1.00 -1.26 -4.88 119.30 120.39 1iah s MET 1721Ca 0.11 1.05 -0.04 0.00 0.00 0.00 0.00 55.69 56.80 1iah s MET 1721Cb -0.16 -3.28 -0.03 0.00 0.00 0.00 0.00 34.83 31.36 1iah s MET 1721CO 0.11 0.52 -0.02 0.95 0.00 0.00 0.00 175.02 176.58 1iah s THR 1722N -0.88 3.95 -5.00 2.05 -4.23 -1.26 -5.02 115.64 105.25 1iah s THR 1722Ca 0.35 -0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.53 1iah s THR 1722Cb -0.22 -2.76 0.00 0.00 1.34 0.00 0.00 72.50 70.87 1iah s THR 1722CO 0.24 0.47 0.00 0.61 -0.54 0.00 0.00 174.62 175.40 1iah n GLY 1723N 3.81 -0.07 3.58 3.99 0.00 -1.26 -5.04 105.19 110.21 1iah n GLY 1723Ca -0.17 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 1iah n GLY 1723CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1iah s GLU 1724N -1.69 3.37 -0.43 1.61 2.12 -1.26 -4.95 118.70 117.48 1iah s GLU 1724Ca 0.00 0.58 -0.29 0.00 0.36 0.00 0.00 54.97 55.62 1iah s GLU 1724Cb 0.00 -4.10 0.02 0.00 0.26 0.00 0.00 34.13 30.32 1iah s GLU 1724CO 0.00 -1.84 1.19 0.12 -0.54 0.00 0.00 175.26 174.20 1iah s PHE 1725N 5.89 2.78 0.35 5.30 2.19 -1.26 -4.47 117.98 128.76 1iah s PHE 1725Ca 0.55 0.80 0.04 0.00 0.33 0.00 0.00 56.93 58.65 1iah s PHE 1725Cb -0.11 -4.25 -0.07 0.00 -1.31 0.00 0.00 43.02 37.28 1iah s PHE 1725CO 0.27 -1.36 0.05 -0.98 1.83 0.00 0.00 175.22 175.03 1iah s ARG 1726N 4.40 1.73 -0.11 10.12 3.03 0.62 -4.91 118.95 133.84 1iah s ARG 1726Ca 0.51 -1.97 0.03 0.00 2.03 0.00 0.00 55.73 56.32 1iah s ARG 1726Cb -0.10 -1.03 -0.00 0.00 -1.03 0.00 0.00 34.95 32.79 1iah s ARG 1726CO 0.29 -0.17 -0.21 0.21 -1.13 0.00 0.00 175.30 174.29 1iah s LYS 1727N -3.85 3.15 -0.09 3.89 2.20 -1.26 -0.73 119.74 123.04 1iah s LYS 1727Ca 0.35 -0.82 -0.03 0.00 -0.36 0.00 0.00 55.97 55.11 1iah s LYS 1727Cb 0.09 -2.40 -0.26 0.00 -1.51 0.00 0.00 37.83 33.74 1iah s LYS 1727CO 0.16 0.19 0.47 1.88 -0.36 0.00 0.00 175.35 177.68 1iah h TYR 1728N 6.71 0.42 -3.86 4.03 -1.99 -1.10 -3.45 116.97 117.72 1iah h TYR 1728Ca -0.21 -0.30 -0.10 0.00 2.00 0.00 0.00 58.73 60.11 1iah h TYR 1728Cb 1.23 -0.02 -0.12 0.00 2.00 0.00 0.00 36.73 39.82 1iah h TYR 1728CO 0.48 1.62 -0.30 0.54 -0.00 0.00 0.00 178.16 180.50 1iah s ASN 1729N -6.89 0.02 0.05 3.88 2.20 -1.22 -1.03 114.94 111.96 1iah s ASN 1729Ca -0.18 -0.87 0.00 0.00 -0.94 0.00 0.00 52.86 50.88 1iah s ASN 1729Cb 0.07 0.45 -0.00 0.00 -2.00 0.00 0.00 41.25 39.77 1iah s ASN 1729CO 0.79 -0.92 0.01 -0.46 -2.94 0.00 0.00 177.10 173.59 1iah n ASN 1730N -0.23 1.22 0.00 3.54 0.23 -0.15 -3.15 115.26 116.71 1iah n ASN 1730Ca -0.07 -1.28 0.09 0.00 -0.53 0.00 0.00 54.58 52.79 1iah n ASN 1730Cb 0.63 0.11 0.41 0.00 -2.08 0.00 0.00 39.78 38.85 1iah n ASN 1730CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1iah n ASN 1731N -1.80 0.00 0.03 0.53 5.03 -1.26 -2.37 115.26 115.43 1iah n ASN 1731Ca -0.01 0.46 0.12 0.00 0.87 0.00 0.00 54.58 56.02 1iah n ASN 1731Cb 0.08 -0.48 0.26 0.00 -1.02 0.00 0.00 39.78 38.61 1iah n ASN 1731CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1iah n ASN 1732N -1.48 0.56 0.00 6.41 3.02 -1.26 -2.66 115.26 119.84 1iah n ASN 1732Ca 0.05 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 1iah n ASN 1732Cb 0.22 0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.47 1iah n ASN 1732CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1iah n GLY 1733N 1.41 0.63 3.86 7.41 0.00 -1.00 -4.51 105.19 112.99 1iah n GLY 1733Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1iah n GLY 1733CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1iah s ASP 1734N -2.87 6.60 0.24 1.61 1.01 -1.26 -3.90 116.67 118.11 1iah s ASP 1734Ca 0.00 1.22 0.01 0.00 0.71 0.00 0.00 52.55 54.48 1iah s ASP 1734Cb 0.00 -2.36 -0.05 0.00 1.01 0.00 0.00 42.92 41.53 1iah s ASP 1734CO 0.00 -0.37 0.11 -1.83 0.21 0.00 0.00 175.17 173.29 1iah s GLU 1735N -3.65 1.36 0.61 8.23 -1.05 -1.26 -0.98 118.70 121.96 1iah s GLU 1735Ca 0.53 -1.73 -0.00 0.00 -0.15 0.00 0.00 54.97 53.62 1iah s GLU 1735Cb -0.10 -0.11 0.06 0.00 -0.44 0.00 0.00 34.13 33.53 1iah s GLU 1735CO 0.28 -0.32 0.86 0.96 0.95 0.00 0.00 175.26 177.98 1iah s ILE 1736N -3.86 2.48 -0.28 1.83 -4.36 -0.19 -4.96 121.20 111.85 1iah s ILE 1736Ca 0.38 -0.60 -0.15 0.00 -0.26 0.00 0.00 60.65 60.03 1iah s ILE 1736Cb 0.08 -2.89 -0.03 0.00 1.25 0.00 0.00 42.46 40.87 1iah s ILE 1736CO 0.13 0.00 0.37 -0.63 0.24 0.00 0.00 174.94 175.05 1iah s ILE 1737N -2.92 5.17 0.39 8.37 1.01 -1.26 -5.03 121.20 126.93 1iah s ILE 1737Ca 0.60 0.46 -0.27 0.00 0.00 0.00 0.00 60.65 61.44 1iah s ILE 1737Cb -0.09 -3.72 -0.11 0.00 0.01 0.00 0.00 42.46 38.55 1iah s ILE 1737CO 0.41 0.11 1.34 -0.81 0.00 0.00 0.00 174.94 175.98 1iah n PRO 1738N 5.34 2.19 -0.03 2.79 -0.04 -1.26 -4.91 135.00 139.08 1iah n PRO 1738Ca -0.09 0.77 0.02 0.00 -0.04 0.00 0.00 63.50 64.16 1iah n PRO 1738Cb 0.51 -2.45 -0.10 0.00 -0.04 0.00 0.00 33.50 31.42 1iah n PRO 1738CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1iah n THR 1739N 0.13 0.32 -4.09 0.52 -2.24 -1.26 -4.99 114.28 102.67 1iah n THR 1739Ca 0.05 -0.38 -0.13 0.00 -2.27 0.00 0.00 64.05 61.32 1iah n THR 1739Cb 0.38 -0.14 -0.04 0.00 -2.10 0.00 0.00 70.33 68.43 1iah n THR 1739CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1iah n ASN 1740N -2.14 -0.69 -0.08 3.42 0.23 -1.26 -5.07 115.26 109.66 1iah n ASN 1740Ca -0.09 -2.48 -0.10 0.00 -0.53 0.00 0.00 54.58 51.38 1iah n ASN 1740Cb 0.55 1.44 -0.02 0.00 -2.08 0.00 0.00 39.78 39.67 1iah n ASN 1740CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 1iah h THR 1741N 1.75 1.12 -0.10 5.53 2.02 -1.99 -1.85 112.91 119.39 1iah h THR 1741Ca -0.18 -0.32 0.04 0.00 0.77 0.00 0.00 66.41 66.73 1iah h THR 1741Cb 0.85 0.82 -0.06 0.00 -1.74 0.00 0.00 68.15 68.03 1iah h THR 1741CO 0.25 0.12 -0.26 0.25 0.37 0.00 0.00 175.52 176.25 1iah h LEU 1742N 0.34 -0.80 -0.82 2.58 5.85 -1.99 -0.88 115.31 119.59 1iah h LEU 1742Ca 0.10 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 1iah h LEU 1742Cb 0.06 0.34 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 1iah h LEU 1742CO -0.02 -0.31 0.50 -0.33 -0.34 0.00 0.00 178.44 177.94 1iah h GLU 1743N -0.35 1.10 -0.50 1.25 5.08 -1.96 -1.22 114.58 118.00 1iah h GLU 1743Ca 0.09 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1iah h GLU 1743Cb 0.48 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1iah h GLU 1743CO -0.30 0.77 0.33 0.93 -1.00 0.00 0.00 179.01 179.74 1iah h GLU 1744N 1.12 0.60 -0.11 2.33 5.08 -0.74 -1.56 114.58 121.30 1iah h GLU 1744Ca 0.29 -0.04 -0.23 0.00 -1.00 0.00 0.00 59.36 58.38 1iah h GLU 1744Cb -0.06 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.07 1iah h GLU 1744CO -0.06 0.40 -0.84 0.82 -1.00 0.00 0.00 179.01 178.32 1iah h ILE 1745N 0.62 1.28 0.07 3.13 2.04 -0.29 -1.69 117.51 122.66 1iah h ILE 1745Ca 0.19 -2.04 -0.00 0.00 1.00 0.00 0.00 64.86 64.01 1iah h ILE 1745Cb 0.01 2.09 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 1iah h ILE 1745CO -0.05 0.64 -0.03 0.24 0.00 0.00 0.00 178.15 178.95 1iah h MET 1746N 0.50 -0.09 -0.86 2.37 2.86 -0.77 0.15 114.93 119.09 1iah h MET 1746Ca -0.07 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1iah h MET 1746Cb 1.48 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 33.12 1iah h MET 1746CO 0.17 -0.05 0.56 -0.07 1.06 0.00 0.00 176.91 178.59 1iah h LEU 1747N -0.10 1.00 -1.26 1.22 3.38 -1.34 -1.58 115.31 116.63 1iah h LEU 1747Ca -0.01 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1iah h LEU 1747Cb 0.08 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1iah h LEU 1747CO 0.02 0.73 -0.30 0.00 0.09 0.00 0.00 178.44 178.98 1iah h ALA 1748N 1.31 1.39 -0.60 1.53 0.00 -1.02 -2.87 119.26 119.00 1iah h ALA 1748Ca 0.32 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1iah h ALA 1748Cb -0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1iah h ALA 1748CO -0.07 0.44 0.38 0.35 0.00 0.00 0.00 179.25 180.36 1iah h PHE 1749N 0.10 0.77 -0.62 0.00 3.57 0.07 0.11 116.94 120.94 1iah h PHE 1749Ca 0.01 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1iah h PHE 1749Cb 0.59 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 1iah h PHE 1749CO 0.00 0.50 0.41 0.77 -2.23 0.00 0.00 178.31 177.77 1iah h SER 1750N 0.81 0.71 -0.45 0.41 0.02 -1.34 -1.23 113.55 112.48 1iah h SER 1750Ca 0.22 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 1iah h SER 1750Cb -0.06 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 1iah h SER 1750CO -0.04 0.52 0.25 -0.74 -1.14 0.00 0.00 176.83 175.67 1iah h HIS 1751N 0.84 0.63 -0.84 3.45 -0.00 -1.38 -2.77 115.15 115.08 1iah h HIS 1751Ca 0.23 -0.02 0.06 0.00 -0.00 0.00 0.00 60.37 60.65 1iah h HIS 1751Cb -0.10 -0.20 -0.06 0.00 -0.00 0.00 0.00 27.41 27.05 1iah h HIS 1751CO -0.03 0.48 0.51 2.35 -0.00 0.00 0.00 177.93 181.24 1iah h TRP 1752N 0.60 0.94 -0.89 5.26 7.01 -0.19 -2.36 115.95 126.32 1iah h TRP 1752Ca 0.16 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.17 1iah h TRP 1752Cb 0.06 -0.30 -0.04 0.00 -2.10 0.00 0.00 29.16 26.78 1iah h TRP 1752CO -0.02 0.47 0.48 1.79 -2.79 0.00 0.00 178.44 178.37 1iah h THR 1753N 0.92 1.26 -0.40 2.65 1.35 -0.96 0.74 112.91 118.48 1iah h THR 1753Ca 0.37 -0.65 -0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1iah h THR 1753Cb 0.19 0.06 -0.02 0.00 -1.73 0.00 0.00 68.15 66.66 1iah h THR 1753CO -0.18 0.29 0.23 0.22 -0.25 0.00 0.00 175.52 175.84 1iah h TYR 1754N 1.25 0.53 -0.04 4.73 3.20 -1.34 -1.34 116.97 123.97 1iah h TYR 1754Ca 0.31 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.17 1iah h TYR 1754Cb 0.04 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.14 1iah h TYR 1754CO 0.01 0.39 -0.01 0.93 -1.64 0.00 0.00 178.16 177.84 1iah h GLU 1755N 0.52 0.08 -0.79 1.82 4.39 -0.92 0.46 114.58 120.14 1iah h GLU 1755Ca 0.14 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.84 1iah h GLU 1755Cb 0.02 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.62 1iah h GLU 1755CO -0.03 0.45 0.52 -0.92 -1.16 0.00 0.00 179.01 177.88 1iah h TYR 1756N -0.30 0.94 -0.37 4.33 3.20 0.61 -0.76 116.97 124.62 1iah h TYR 1756Ca 0.01 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.84 1iah h TYR 1756Cb 0.43 -0.31 -0.04 0.00 1.54 0.00 0.00 36.73 38.35 1iah h TYR 1756CO 0.06 0.55 0.08 0.25 -1.64 0.00 0.00 178.16 177.47 1iah n THR 1757N -4.45 1.66 -3.01 1.81 -2.24 -0.51 -4.88 114.28 102.66 1iah n THR 1757Ca 0.10 -0.82 -0.19 0.00 -2.27 0.00 0.00 64.05 60.87 1iah n THR 1757Cb 0.11 -0.46 -0.00 0.00 -2.10 0.00 0.00 70.33 67.88 1iah n THR 1757CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1iah n ARG 1758N 0.16 -3.10 -0.60 -0.78 3.00 -0.29 -1.04 116.66 114.02 1iah n ARG 1758Ca 0.19 0.52 0.00 0.00 -0.01 0.00 0.00 57.85 58.56 1iah n ARG 1758Cb 0.85 -5.20 0.00 0.00 0.00 0.00 0.00 32.46 28.11 1iah n ARG 1758CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1iah n GLY 1759N -1.05 0.76 0.12 -0.13 0.00 0.16 -4.94 105.19 100.11 1iah n GLY 1759Ca -0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 1iah n GLY 1759CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1iah h GLU 1760N 3.24 0.31 -5.73 1.61 5.08 -1.29 -3.43 114.58 114.36 1iah h GLU 1760Ca 0.00 -0.53 -0.50 0.00 -1.00 0.00 0.00 59.36 57.33 1iah h GLU 1760Cb 0.00 0.20 -0.23 0.00 0.50 0.00 0.00 28.75 29.21 1iah h GLU 1760CO 0.00 1.20 -0.81 -0.51 -1.00 0.00 0.00 179.01 177.89 1iah s LEU 1761N -7.12 2.23 -0.04 1.33 1.43 -1.26 -1.10 118.68 114.14 1iah s LEU 1761Ca -0.09 -0.57 0.01 0.00 -1.03 0.00 0.00 54.13 52.45 1iah s LEU 1761Cb 0.06 -0.75 0.02 0.00 0.03 0.00 0.00 46.19 45.56 1iah s LEU 1761CO 0.87 0.05 -0.02 -0.22 0.23 0.00 0.00 176.35 177.25 1iah s LEU 1762N -1.49 1.22 -0.30 1.79 2.96 -0.56 -3.03 118.68 119.27 1iah s LEU 1762Ca 0.03 -0.08 -0.11 0.00 -0.22 0.00 0.00 54.13 53.75 1iah s LEU 1762Cb -0.09 -0.35 -0.03 0.00 0.50 0.00 0.00 46.19 46.22 1iah s LEU 1762CO 0.02 -0.08 0.19 -0.69 -1.32 0.00 0.00 176.35 174.47 1iah s VAL 1763N 1.02 5.07 0.50 1.68 1.01 -1.26 -0.60 120.40 127.83 1iah s VAL 1763Ca -0.10 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 61.78 1iah s VAL 1763Cb -0.14 -3.51 -0.00 0.00 0.00 0.00 0.00 36.38 32.73 1iah s VAL 1763CO -0.01 0.13 0.02 0.18 0.00 0.00 0.00 175.10 175.42 1iah n LEU 1764N 5.05 0.00 -2.94 3.92 4.77 -0.46 -4.56 117.00 122.78 1iah n LEU 1764Ca -0.14 -3.22 -0.19 0.00 -0.03 0.00 0.00 56.01 52.43 1iah n LEU 1764Cb 0.51 0.44 0.06 0.00 -2.33 0.00 0.00 43.42 42.10 1iah n LEU 1764CO 0.34 -0.46 0.20 -0.67 -1.33 0.00 0.00 177.39 175.47 1iah n ASP 1765N -1.34 -5.42 -4.68 -1.43 2.03 -1.21 -1.31 116.55 103.19 1iah n ASP 1765Ca -0.20 -0.43 -0.42 0.00 0.52 0.00 0.00 54.79 54.27 1iah n ASP 1765Cb 0.65 -4.08 -0.03 0.00 -0.72 0.00 0.00 41.12 36.94 1iah n ASP 1765CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1iah s LEU 1766N -5.97 4.32 0.02 -2.67 1.43 -1.19 -4.36 118.68 110.25 1iah s LEU 1766Ca 0.46 2.19 -0.26 0.00 -1.03 0.00 0.00 54.13 55.49 1iah s LEU 1766Cb -0.20 -3.55 0.06 0.00 0.03 0.00 0.00 46.19 42.53 1iah s LEU 1766CO 0.58 -0.82 0.61 0.00 0.23 0.00 0.00 176.35 176.94 1iah s GLN 1767N 3.03 1.09 0.00 1.70 -2.07 -1.26 -0.42 119.66 121.73 1iah s GLN 1767Ca 0.68 -0.04 0.00 0.00 -1.82 0.00 0.00 55.36 54.18 1iah s GLN 1767Cb -0.33 0.50 0.00 0.00 -1.09 0.00 0.00 33.01 32.10 1iah s GLN 1767CO 0.28 -0.39 0.00 0.41 -1.32 0.00 0.00 175.29 174.27 1iah n GLY 1768N 0.52 -0.36 2.93 2.60 0.00 0.09 -1.27 105.19 109.70 1iah n GLY 1768Ca -0.18 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 1iah n GLY 1768CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iah s VAL 1769N -4.00 1.44 0.00 1.61 1.01 -0.49 -0.28 120.40 119.69 1iah s VAL 1769Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 60.89 1iah s VAL 1769Cb 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.69 1iah s VAL 1769CO 0.00 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.66 1iah n GLY 1770N 4.72 3.11 0.13 4.51 0.00 -1.26 -2.35 105.19 114.04 1iah n GLY 1770Ca -0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 46.02 45.68 1iah n GLY 1770CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1iah h GLU 1771N 0.00 0.05 -6.36 1.61 5.08 -1.94 -3.44 114.58 109.58 1iah h GLU 1771Ca 0.00 -0.04 -0.57 0.00 -1.00 0.00 0.00 59.36 57.75 1iah h GLU 1771Cb 0.00 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 1iah h GLU 1771CO 0.00 0.72 0.98 -0.80 -1.00 0.00 0.00 179.01 178.91 1iah s ASN 1772N -6.84 6.65 0.31 1.42 0.02 -0.99 -1.29 114.94 114.21 1iah s ASN 1772Ca -0.01 1.21 0.09 0.00 -1.02 0.00 0.00 52.86 53.12 1iah s ASN 1772Cb 0.12 -2.54 -0.04 0.00 0.02 0.00 0.00 41.25 38.81 1iah s ASN 1772CO 0.78 -1.10 0.06 -0.76 0.02 0.00 0.00 177.10 176.10 1iah s LEU 1773N 4.45 3.19 0.16 0.60 1.43 0.48 -1.40 118.68 127.60 1iah s LEU 1773Ca 0.57 -0.75 -0.22 0.00 -1.03 0.00 0.00 54.13 52.69 1iah s LEU 1773Cb -0.17 -1.67 0.06 0.00 0.03 0.00 0.00 46.19 44.45 1iah s LEU 1773CO 0.24 -0.16 0.59 0.28 0.23 0.00 0.00 176.35 177.52 1iah s THR 1774N -2.40 0.01 -1.31 5.49 -1.32 -0.39 -1.30 115.64 114.42 1iah s THR 1774Ca 0.35 -0.13 -0.02 0.00 -1.21 0.00 0.00 61.69 60.68 1iah s THR 1774Cb -0.04 -1.09 0.01 0.00 -1.51 0.00 0.00 72.50 69.88 1iah s THR 1774CO 0.21 -0.03 0.84 -0.67 -2.21 0.00 0.00 174.62 172.75 1iah n ASP 1775N -0.37 -2.07 -4.56 8.08 2.03 -1.26 -4.35 116.55 114.05 1iah n ASP 1775Ca -0.16 -0.75 -0.29 0.00 0.52 0.00 0.00 54.79 54.12 1iah n ASP 1775Cb 0.64 -4.38 0.13 0.00 -0.72 0.00 0.00 41.12 36.80 1iah n ASP 1775CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1iah s PRO 1776N -5.90 1.40 -0.26 -0.67 0.04 -1.26 -4.90 135.00 123.44 1iah s PRO 1776Ca 0.10 -0.21 0.03 0.00 0.04 0.00 0.00 61.00 60.97 1iah s PRO 1776Cb -0.05 -1.95 0.06 0.00 0.04 0.00 0.00 34.50 32.61 1iah s PRO 1776CO 0.79 -1.91 -0.10 -1.12 0.04 0.00 0.00 177.00 174.70 1iah s SER 1777N -4.72 4.46 -0.38 6.66 0.01 -0.43 -4.88 113.70 114.42 1iah s SER 1777Ca 0.67 -1.45 -0.20 0.00 1.31 0.00 0.00 55.95 56.29 1iah s SER 1777Cb -0.08 -1.55 0.01 0.00 0.21 0.00 0.00 66.02 64.61 1iah s SER 1777CO 0.50 -0.20 0.60 -0.69 0.41 0.00 0.00 173.24 173.86 1iah s VAL 1778N 1.09 4.90 -0.18 3.43 1.01 -1.26 -1.36 120.40 128.04 1iah s VAL 1778Ca -0.08 0.34 -0.08 0.00 0.00 0.00 0.00 61.98 62.17 1iah s VAL 1778Cb -0.20 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 1iah s VAL 1778CO -0.05 -0.39 0.08 -0.63 0.00 0.00 0.00 175.10 174.11 1iah s ILE 1779N 2.66 4.99 -0.83 2.22 1.01 0.23 -1.13 121.20 130.36 1iah s ILE 1779Ca 0.22 0.04 -0.23 0.00 0.00 0.00 0.00 60.65 60.68 1iah s ILE 1779Cb -0.15 -3.24 0.07 0.00 0.01 0.00 0.00 42.46 39.15 1iah s ILE 1779CO 0.16 0.47 1.18 -0.75 0.00 0.00 0.00 174.94 176.00 1iah s LYS 1780N 0.20 3.36 0.57 2.79 2.20 0.26 -1.50 119.74 127.62 1iah s LYS 1780Ca 0.06 -1.02 0.33 0.00 -0.36 0.00 0.00 55.97 54.97 1iah s LYS 1780Cb -0.12 -4.66 1.44 0.00 -1.51 0.00 0.00 37.83 32.99 1iah s LYS 1780CO -0.00 -1.96 1.77 0.00 -0.36 0.00 0.00 175.35 174.80 1iah h ALA 1781N 9.52 2.78 0.00 3.13 0.00 -1.37 -2.92 119.26 130.39 1iah h ALA 1781Ca -0.06 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1iah h ALA 1781Cb 1.04 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1iah h ALA 1781CO 1.24 -1.24 -1.75 0.39 0.00 0.00 0.00 179.25 177.89 1iah n GLU 1782N -3.89 0.64 -0.96 0.00 1.02 -1.26 -5.01 120.64 111.17 1iah n GLU 1782Ca 0.19 -0.12 -0.34 0.00 -0.02 0.00 0.00 57.16 56.87 1iah n GLU 1782Cb 1.08 -1.37 0.09 0.00 -0.02 0.00 0.00 31.44 31.23 1iah n GLU 1782CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1iah n GLU 1783N -2.11 -0.08 0.00 3.49 4.07 -1.11 -4.95 120.64 119.96 1iah n GLU 1783Ca -0.06 0.01 0.00 0.00 -0.06 0.00 0.00 57.16 57.06 1iah n GLU 1783Cb 0.49 -1.68 0.00 0.00 -0.06 0.00 0.00 31.44 30.18 1iah n GLU 1783CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1iah n LYS 1784N -0.65 3.22 -1.71 5.31 5.02 -1.26 -4.91 118.16 123.18 1iah n LYS 1784Ca 0.06 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.93 1iah n LYS 1784Cb 0.53 -0.43 -0.03 0.00 -0.02 0.00 0.00 35.03 35.08 1iah n LYS 1784CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1iah n ARG 1785N -0.55 2.70 0.00 1.97 1.74 -1.26 -4.91 116.66 116.36 1iah n ARG 1785Ca 0.00 0.98 0.00 0.00 -0.77 0.00 0.00 57.85 58.06 1iah n ARG 1785Cb 0.00 -2.82 0.00 0.00 -1.02 0.00 0.00 32.46 28.62 1iah n ARG 1785CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1iah n SER 1786N 4.01 0.00 -2.71 0.55 2.88 -1.26 -1.00 113.62 116.09 1iah n SER 1786Ca 0.16 0.12 -0.36 0.00 -1.33 0.00 0.00 58.87 57.46 1iah n SER 1786Cb 0.34 -0.02 0.03 0.00 -0.75 0.00 0.00 64.21 63.82 1iah n SER 1786CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1iah n ASP 1788N -0.58 0.78 0.07 0.00 8.00 -0.17 -4.80 116.55 119.86 1iah n ASP 1788Ca 0.51 -1.98 -0.18 0.00 0.71 0.00 0.00 54.79 53.86 1iah n ASP 1788Cb 0.41 -0.17 -0.14 0.00 -0.02 0.00 0.00 41.12 41.20 1iah n ASP 1788CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1iah h MET 1789N 0.00 0.27 -6.34 -1.24 2.86 -1.78 -3.45 114.93 105.25 1iah h MET 1789Ca 0.00 -0.47 -0.69 0.00 -2.06 0.00 0.00 59.70 56.48 1iah h MET 1789Cb 1.09 0.17 -0.24 0.00 0.06 0.00 0.00 31.60 32.68 1iah h MET 1789CO 0.00 1.15 -0.78 0.08 1.06 0.00 0.00 176.91 178.42 1iah s VAL 1790N -2.61 2.98 0.25 -2.22 1.01 -1.26 0.93 120.40 119.47 1iah s VAL 1790Ca -0.09 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.10 1iah s VAL 1790Cb 0.07 -2.16 0.22 0.00 0.00 0.00 0.00 36.38 34.51 1iah s VAL 1790CO 0.86 0.59 1.80 -0.26 0.00 0.00 0.00 175.10 178.09 1iah h PHE 1791N 5.36 0.85 -1.90 5.22 -1.00 -1.46 -3.43 116.94 120.59 1iah h PHE 1791Ca -0.46 0.03 -0.61 0.00 2.81 0.00 0.00 57.97 59.74 1iah h PHE 1791Cb 1.15 -0.26 -0.12 0.00 3.61 0.00 0.00 35.95 40.33 1iah h PHE 1791CO 0.49 0.33 -0.65 0.20 -1.61 0.00 0.00 178.31 177.07 1iah s GLY 1792N -3.31 2.18 0.08 -1.45 0.00 -1.26 -4.78 107.32 98.78 1iah s GLY 1792Ca -0.12 -2.07 -0.31 0.00 0.00 0.00 0.00 44.72 42.22 1iah s GLY 1792CO 0.78 -1.99 1.88 -1.05 0.00 0.00 0.00 173.10 172.72 1iah n PRO 1793N -0.87 2.76 -3.56 2.90 -0.02 -1.26 -4.95 135.00 130.00 1iah n PRO 1793Ca -0.05 1.01 -0.15 0.00 -2.02 0.00 0.00 63.50 62.29 1iah n PRO 1793Cb 0.63 -2.92 -0.06 0.00 -0.02 0.00 0.00 33.50 31.13 1iah n PRO 1793CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1iah s ALA 1794N 3.36 -1.81 -0.39 3.55 0.00 -1.26 -5.01 121.76 120.20 1iah s ALA 1794Ca 0.85 1.57 -0.19 0.00 0.00 0.00 0.00 51.96 54.20 1iah s ALA 1794Cb -0.49 -0.49 0.01 0.00 0.00 0.00 0.00 23.12 22.15 1iah s ALA 1794CO 0.40 -0.35 0.53 -0.80 0.00 0.00 0.00 175.76 175.55 1iah s ASN 1795N -0.68 6.29 0.18 0.00 -0.87 -1.26 -4.96 114.94 113.64 1iah s ASN 1795Ca -0.06 -0.23 -0.13 0.00 -1.57 0.00 0.00 52.86 50.87 1iah s ASN 1795Cb -0.02 -2.27 -0.07 0.00 -0.02 0.00 0.00 41.25 38.87 1iah s ASN 1795CO 0.06 -0.58 0.56 -0.76 -2.57 0.00 0.00 177.10 173.81 1iah s LEU 1796N 2.45 4.27 0.00 0.60 1.43 -1.26 -4.84 118.68 121.33 1iah s LEU 1796Ca 0.18 1.04 -0.15 0.00 -1.03 0.00 0.00 54.13 54.17 1iah s LEU 1796Cb -0.15 -3.43 0.21 0.00 0.03 0.00 0.00 46.19 42.84 1iah s LEU 1796CO 0.15 0.03 1.04 0.61 0.23 0.00 0.00 176.35 178.42 1iah n GLY 1797N 0.46 -1.85 3.56 -3.19 0.00 -1.09 -4.86 105.19 98.22 1iah n GLY 1797Ca -0.03 -1.63 -0.21 0.00 0.00 0.00 0.00 46.02 44.14 1iah n GLY 1797CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iah s GLU 1798N -5.30 1.92 -0.73 1.61 8.01 -1.26 -3.31 118.70 119.64 1iah s GLU 1798Ca 0.61 0.51 -0.03 0.00 0.01 0.00 0.00 54.97 56.08 1iah s GLU 1798Cb -0.03 -4.78 -0.03 0.00 -4.31 0.00 0.00 34.13 24.98 1iah s GLU 1798CO 0.44 -3.95 0.66 -3.47 0.01 0.00 0.00 175.26 168.95 1iah n ASP 1799N 16.98 -6.21 -0.33 -0.19 -0.08 -1.26 -4.78 116.55 120.68 1iah n ASP 1799Ca 0.42 -0.33 0.01 0.00 -1.51 0.00 0.00 54.79 53.39 1iah n ASP 1799Cb 0.46 -4.40 0.18 0.00 2.34 0.00 0.00 41.12 39.71 1iah n ASP 1799CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1iah h ALA 1800N 0.14 1.41 -0.65 -1.67 0.00 -1.79 -1.48 119.26 115.21 1iah h ALA 1800Ca -0.26 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 1iah h ALA 1800Cb 1.13 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1iah h ALA 1800CO 0.30 0.50 0.07 0.82 0.00 0.00 0.00 179.25 180.94 1iah h ILE 1801N 1.17 1.27 0.18 0.00 5.03 -1.92 0.18 117.51 123.42 1iah h ILE 1801Ca 0.38 -1.09 -0.00 0.00 -0.12 0.00 0.00 64.86 64.03 1iah h ILE 1801Cb 0.03 0.68 -0.00 0.00 -3.03 0.00 0.00 36.82 34.50 1iah h ILE 1801CO -0.12 0.40 -0.11 0.50 -0.68 0.00 0.00 178.15 178.15 1iah h LYS 1802N 1.03 -0.27 -0.52 2.37 3.64 -1.78 -1.46 116.57 119.58 1iah h LYS 1802Ca 0.19 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.64 1iah h LYS 1802Cb 0.49 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.32 1iah h LYS 1802CO 0.02 -0.18 0.26 -0.91 -2.27 0.00 0.00 179.45 176.38 1iah h ASN 1803N -0.28 0.38 -0.55 4.20 2.35 -0.94 -1.36 115.58 119.38 1iah h ASN 1803Ca -0.02 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1iah h ASN 1803Cb 0.23 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 1iah h ASN 1803CO 0.02 0.26 0.36 0.15 -1.65 0.00 0.00 177.43 176.56 1iah h PHE 1804N 0.51 0.69 -0.37 1.19 3.57 -0.36 0.61 116.94 122.78 1iah h PHE 1804Ca 0.23 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.70 1iah h PHE 1804Cb 0.14 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 1iah h PHE 1804CO -0.10 0.44 0.04 0.00 -2.23 0.00 0.00 178.31 176.46 1iah h ARG 1805N 0.74 0.57 0.02 1.11 3.08 -0.94 -1.47 114.38 117.48 1iah h ARG 1805Ca 0.20 -0.11 -0.18 0.00 0.07 0.00 0.00 59.98 59.96 1iah h ARG 1805Cb -0.07 -0.09 0.02 0.00 0.08 0.00 0.00 29.97 29.91 1iah h ARG 1805CO -0.04 0.57 -0.72 0.00 -1.07 0.00 0.00 179.97 178.71 1iah h ALA 1806N 1.50 0.07 0.00 0.04 0.00 -0.27 -3.36 119.26 117.24 1iah h ALA 1806Ca 0.12 -0.61 -0.14 0.00 0.00 0.00 0.00 54.91 54.28 1iah h ALA 1806Cb 0.30 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1iah h ALA 1806CO 0.01 0.42 -1.55 1.63 0.00 0.00 0.00 179.25 179.75 1iah n LYS 1807N -4.14 0.63 -1.73 0.00 5.02 0.21 -4.96 118.16 113.19 1iah n LYS 1807Ca -0.11 0.12 -0.41 0.00 -2.02 0.00 0.00 58.31 55.89 1iah n LYS 1807Cb 0.73 -1.74 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 1iah n LYS 1807CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1iah n HIS 1808N -2.75 2.54 -4.08 2.13 -0.00 -0.56 -4.94 115.22 107.57 1iah n HIS 1808Ca -0.10 0.49 -0.32 0.00 0.46 0.00 0.00 57.72 58.25 1iah n HIS 1808Cb 0.80 -2.45 -0.16 0.00 -0.12 0.00 0.00 29.99 28.06 1iah n HIS 1808CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1iah s HIS 1809N -1.14 2.64 0.50 1.57 3.76 -1.26 -5.00 115.29 116.37 1iah s HIS 1809Ca 0.56 -1.61 -0.22 0.00 -0.15 0.00 0.00 55.06 53.65 1iah s HIS 1809Cb -0.51 -1.81 -0.06 0.00 1.11 0.00 0.00 32.58 31.30 1iah s HIS 1809CO 0.61 -0.78 1.20 0.00 -0.85 0.00 0.00 174.74 174.92 1iah n ASN 1811N -0.81 2.05 -0.21 0.00 0.23 -1.26 -4.97 115.26 110.29 1iah n ASN 1811Ca 0.09 -2.61 0.28 0.00 -0.53 0.00 0.00 54.58 51.81 1iah n ASN 1811Cb 0.48 0.52 0.69 0.00 -2.08 0.00 0.00 39.78 39.40 1iah n ASN 1811CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1iah h SER 1812N 1.05 0.07 -0.07 0.53 4.64 -1.96 0.55 113.55 118.37 1iah h SER 1812Ca -0.27 0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 60.95 1iah h SER 1812Cb 0.91 -0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.01 1iah h SER 1812CO 0.44 0.02 -0.40 0.00 -0.87 0.00 0.00 176.83 176.02 1iah h ARG 1815N 0.69 0.87 -0.12 0.00 3.08 -1.35 -0.27 114.38 117.29 1iah h ARG 1815Ca 0.45 -0.49 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1iah h ARG 1815Cb 0.56 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 1iah h ARG 1815CO -0.32 1.13 0.07 0.87 -1.07 0.00 0.00 179.97 180.65 1iah h LYS 1816N 0.69 0.15 -0.02 0.04 1.57 0.82 0.59 116.57 120.43 1iah h LYS 1816Ca 0.04 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1iah h LYS 1816Cb 1.04 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1iah h LYS 1816CO 0.10 0.11 -0.02 1.28 -0.57 0.00 0.00 179.45 180.35 1iah n LEU 1817N -4.51 1.60 -1.85 2.94 4.77 0.50 -4.80 117.00 115.64 1iah n LEU 1817Ca -0.01 -0.53 -0.18 0.00 -0.03 0.00 0.00 56.01 55.25 1iah n LEU 1817Cb 0.09 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 1iah n LEU 1817CO 0.34 0.27 -0.21 0.29 -1.33 0.00 0.00 177.39 176.75 1iah n LYS 1818N 0.22 -1.40 -2.36 3.23 4.76 0.20 -4.97 118.16 117.84 1iah n LYS 1818Ca 0.18 0.99 -0.37 0.00 -2.87 0.00 0.00 58.31 56.23 1iah n LYS 1818Cb 0.38 -5.42 -0.02 0.00 -1.84 0.00 0.00 35.03 28.12 1iah n LYS 1818CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1iah s LEU 1819N -4.90 4.14 0.41 -0.35 1.43 -0.22 -5.01 118.68 114.18 1iah s LEU 1819Ca 0.00 2.24 -0.03 0.00 -1.03 0.00 0.00 54.13 55.31 1iah s LEU 1819Cb 0.00 -4.12 -0.04 0.00 0.03 0.00 0.00 46.19 42.06 1iah s LEU 1819CO 0.00 -0.67 0.67 -2.16 0.23 0.00 0.00 176.35 174.42 1iah s PRO 1820N -2.44 3.54 0.39 1.29 0.04 -1.26 -4.77 135.00 131.79 1iah s PRO 1820Ca 0.59 -0.01 -0.27 0.00 0.04 0.00 0.00 61.00 61.34 1iah s PRO 1820Cb -0.28 -2.51 -0.10 0.00 0.04 0.00 0.00 34.50 31.65 1iah s PRO 1820CO 0.34 -0.02 1.42 0.34 0.04 0.00 0.00 177.00 179.12 1iah s ASP 1821N -3.94 6.30 0.32 6.66 2.15 -1.26 -4.93 116.67 121.96 1iah s ASP 1821Ca 0.44 2.91 0.17 0.00 0.43 0.00 0.00 52.55 56.50 1iah s ASP 1821Cb -0.10 -2.66 0.30 0.00 -0.30 0.00 0.00 42.92 40.16 1iah s ASP 1821CO 0.39 -0.89 1.55 -0.07 -0.17 0.00 0.00 175.17 175.99 1iah h LEU 1822N 2.86 0.00 -0.59 -1.34 3.38 -1.94 -3.17 115.31 114.51 1iah h LEU 1822Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1iah h LEU 1822Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1iah h LEU 1822CO 0.63 0.45 0.00 0.29 0.09 0.00 0.00 178.44 179.90 1iah n LYS 1823N -3.32 0.21 -0.37 1.13 5.02 -1.26 -4.80 118.16 114.77 1iah n LYS 1823Ca 0.01 0.39 -0.26 0.00 -2.02 0.00 0.00 58.31 56.43 1iah n LYS 1823Cb 0.65 -1.87 0.24 0.00 -0.02 0.00 0.00 35.03 34.03 1iah n LYS 1823CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1iah n ARG 1824N -2.26 -3.63 -3.29 1.97 1.85 -1.20 -4.96 116.66 105.14 1iah n ARG 1824Ca 0.03 -1.07 -0.36 0.00 -1.00 0.00 0.00 57.85 55.45 1iah n ARG 1824Cb 0.27 -1.77 -0.06 0.00 -1.05 0.00 0.00 32.46 29.85 1iah n ARG 1824CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 1iah s ASN 1825N -2.57 6.88 0.15 2.89 2.47 -1.26 -4.99 114.94 118.50 1iah s ASN 1825Ca 0.56 1.16 -0.12 0.00 0.42 0.00 0.00 52.86 54.88 1iah s ASN 1825Cb -0.11 -2.32 -0.00 0.00 -1.45 0.00 0.00 41.25 37.37 1iah s ASN 1825CO 0.49 0.09 1.56 0.44 -3.72 0.00 0.00 177.10 175.95 1iah h ASP 1826N 3.54 0.91 0.06 -4.21 3.32 -1.93 -3.35 116.42 114.75 1iah h ASP 1826Ca -0.48 -0.36 -0.37 0.00 0.02 0.00 0.00 57.03 55.83 1iah h ASP 1826Cb 1.19 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 40.44 1iah h ASP 1826CO 0.66 1.06 -2.31 -1.22 -1.72 0.00 0.00 179.24 175.70 1iah n TYR 1827N -4.24 0.32 1.32 4.55 4.01 -1.26 -5.24 117.16 116.63 1iah n TYR 1827Ca -0.00 0.08 0.13 0.00 -0.16 0.00 0.00 57.90 57.95 1iah n TYR 1827Cb 0.39 -1.05 0.38 0.00 -0.31 0.00 0.00 39.34 38.75 1iah n TYR 1827CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81