#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lqi s GLY 1566N 0.00 -0.29 0.00 5.00 0.00 -1.26 -0.75 107.32 110.01 3lqi s GLY 1566Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 44.72 45.10 3lqi s GLY 1566CO 0.00 0.78 0.00 -2.01 0.00 0.00 0.00 173.10 171.87 3lqi n ASN 1567N -0.60 0.00 -4.39 1.64 2.85 -1.10 -4.96 115.26 108.70 3lqi n ASN 1567Ca -0.06 -0.86 -0.31 0.00 -0.11 0.00 0.00 54.58 53.24 3lqi n ASN 1567Cb 0.62 0.00 -0.14 0.00 1.24 0.00 0.00 39.78 41.50 3lqi n ASN 1567CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3lqi s PHE 1568N -4.96 2.43 0.06 1.20 0.40 -1.26 -0.62 117.98 115.23 3lqi s PHE 1568Ca 0.00 -0.35 -0.31 0.00 -0.60 0.00 0.00 56.93 55.68 3lqi s PHE 1568Cb 0.00 -1.45 -0.07 0.00 0.51 0.00 0.00 43.02 42.01 3lqi s PHE 1568CO 0.00 0.15 1.50 0.00 0.70 0.00 0.00 175.22 177.57 3lqi n PRO 1570N 5.05 0.10 -0.09 0.00 -0.04 -1.26 -0.24 135.00 138.52 3lqi n PRO 1570Ca 0.14 0.48 -0.22 0.00 -0.04 0.00 0.00 63.50 63.86 3lqi n PRO 1570Cb 0.42 -1.76 -0.12 0.00 -0.04 0.00 0.00 33.50 32.00 3lqi n PRO 1570CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3lqi n LEU 1571N -1.95 2.45 -0.16 1.53 4.77 -1.26 -4.56 117.00 117.81 3lqi n LEU 1571Ca 0.01 0.17 0.08 0.00 -0.03 0.00 0.00 56.01 56.24 3lqi n LEU 1571Cb 0.10 -0.97 -0.06 0.00 -2.33 0.00 0.00 43.42 40.17 3lqi n LEU 1571CO 0.11 0.71 0.09 0.00 -1.33 0.00 0.00 177.39 176.97 3lqi n ASP 1573N -0.87 -5.09 -4.53 0.00 2.03 0.66 -4.99 116.55 103.77 3lqi n ASP 1573Ca 0.05 -0.68 -0.33 0.00 0.52 0.00 0.00 54.79 54.35 3lqi n ASP 1573Cb 0.31 -4.39 -0.12 0.00 -0.72 0.00 0.00 41.12 36.21 3lqi n ASP 1573CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3lqi s LYS 1574N -6.42 2.53 0.48 -0.67 -0.14 -1.25 -4.84 119.74 109.42 3lqi s LYS 1574Ca 0.57 -0.70 -0.16 0.00 -1.36 0.00 0.00 55.97 54.32 3lqi s LYS 1574Cb -0.27 -2.44 -0.08 0.00 -1.68 0.00 0.00 37.83 33.35 3lqi s LYS 1574CO 0.79 0.62 0.94 0.00 -0.76 0.00 0.00 175.35 176.93 3lqi s TYR 1576N -2.49 0.93 -0.15 0.00 1.13 0.21 -4.92 117.35 112.06 3lqi s TYR 1576Ca 0.58 -0.96 -0.07 0.00 -1.41 0.00 0.00 57.07 55.22 3lqi s TYR 1576Cb -0.10 -0.54 -0.04 0.00 -1.10 0.00 0.00 41.96 40.18 3lqi s TYR 1576CO 0.28 -0.19 0.08 0.34 -2.51 0.00 0.00 175.55 173.55 3lqi s ASP 1577N -3.06 5.84 0.60 -0.18 2.15 -1.26 -2.69 116.67 118.06 3lqi s ASP 1577Ca 0.14 0.21 0.39 0.00 0.43 0.00 0.00 52.55 53.72 3lqi s ASP 1577Cb 0.06 -1.93 2.11 0.00 -0.30 0.00 0.00 42.92 42.86 3lqi s ASP 1577CO -0.03 0.26 2.19 0.44 -0.17 0.00 0.00 175.17 177.86 3lqi h ASP 1578N 6.03 0.00 -0.40 -0.34 3.45 -1.31 -0.50 116.42 123.35 3lqi h ASP 1578Ca -0.44 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.02 3lqi h ASP 1578Cb 1.18 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.95 3lqi h ASP 1578CO 0.66 0.00 0.00 -0.67 -1.57 0.00 0.00 179.24 177.66 3lqi n ASP 1579N -2.89 3.20 -4.43 6.45 4.64 -1.26 -4.88 116.55 117.38 3lqi n ASP 1579Ca -0.03 -1.93 -0.44 0.00 -1.38 0.00 0.00 54.79 51.02 3lqi n ASP 1579Cb 0.09 -0.26 -0.05 0.00 -1.04 0.00 0.00 41.12 39.86 3lqi n ASP 1579CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3lqi s ASP 1580N -1.14 6.21 -0.23 1.67 2.15 -0.20 -4.86 116.67 120.27 3lqi s ASP 1580Ca 0.33 -1.05 0.14 0.00 0.43 0.00 0.00 52.55 52.40 3lqi s ASP 1580Cb 0.18 -2.32 0.62 0.00 -0.30 0.00 0.00 42.92 41.11 3lqi s ASP 1580CO 0.25 -1.04 1.56 -1.22 -0.17 0.00 0.00 175.17 174.54 3lqi n TYR 1581N 6.47 1.44 0.59 -5.34 4.01 -1.26 -4.28 117.16 118.78 3lqi n TYR 1581Ca -0.07 -0.98 0.12 0.00 -0.16 0.00 0.00 57.90 56.82 3lqi n TYR 1581Cb 0.45 -0.44 0.22 0.00 -0.31 0.00 0.00 39.34 39.26 3lqi n TYR 1581CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 3lqi n GLU 1582N -0.30 0.28 -2.56 -0.72 4.07 -1.26 -4.90 120.64 115.25 3lqi n GLU 1582Ca 0.27 0.11 -0.24 0.00 -0.06 0.00 0.00 57.16 57.24 3lqi n GLU 1582Cb 1.05 -1.71 0.04 0.00 -0.06 0.00 0.00 31.44 30.76 3lqi n GLU 1582CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 3lqi s SER 1583N -4.26 5.39 -0.51 4.31 1.04 -1.26 -5.06 113.70 113.34 3lqi s SER 1583Ca 0.07 0.35 -0.04 0.00 0.48 0.00 0.00 55.95 56.81 3lqi s SER 1583Cb 0.13 -1.30 0.13 0.00 0.10 0.00 0.00 66.02 65.09 3lqi s SER 1583CO 0.70 -1.11 0.33 -0.54 0.98 0.00 0.00 173.24 173.59 3lqi s LYS 1584N -4.88 2.31 0.05 4.02 1.02 -1.26 -5.06 119.74 115.95 3lqi s LYS 1584Ca 0.55 -2.12 0.01 0.00 0.02 0.00 0.00 55.97 54.42 3lqi s LYS 1584Cb -0.10 -3.70 -0.03 0.00 -0.52 0.00 0.00 37.83 33.48 3lqi s LYS 1584CO 0.41 -1.13 -0.05 -1.64 -0.92 0.00 0.00 175.35 172.02 3lqi s MET 1585N 0.64 0.57 0.02 1.68 -1.94 -1.26 -0.72 119.30 118.29 3lqi s MET 1585Ca 0.12 -0.99 0.06 0.00 -1.71 0.00 0.00 55.69 53.17 3lqi s MET 1585Cb -0.22 -0.02 -0.03 0.00 2.01 0.00 0.00 34.83 36.58 3lqi s MET 1585CO -0.04 -0.04 -0.17 -1.64 -0.01 0.00 0.00 175.02 173.13 3lqi s MET 1586N -2.77 2.19 -0.26 2.03 -1.94 0.16 -4.88 119.30 113.83 3lqi s MET 1586Ca -0.01 -0.91 -0.10 0.00 -1.71 0.00 0.00 55.69 52.96 3lqi s MET 1586Cb -0.01 -2.24 -0.05 0.00 2.01 0.00 0.00 34.83 34.54 3lqi s MET 1586CO -0.04 0.56 0.15 -1.14 -0.01 0.00 0.00 175.02 174.54 3lqi s GLN 1587N -1.28 3.94 0.13 2.03 0.74 -1.26 -0.21 119.66 123.75 3lqi s GLN 1587Ca 0.14 -0.33 -0.31 0.00 0.05 0.00 0.00 55.36 54.91 3lqi s GLN 1587Cb -0.11 -3.54 -0.10 0.00 1.10 0.00 0.00 33.01 30.36 3lqi s GLN 1587CO 0.04 -0.08 1.65 0.00 -0.55 0.00 0.00 175.29 176.36 3lqi n GLY 1589N 3.92 -1.10 0.13 0.00 0.00 -0.13 -1.03 105.19 106.99 3lqi n GLY 1589Ca 0.15 0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 3lqi n GLY 1589CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3lqi n LYS 1590N -1.86 0.63 0.00 1.61 5.02 -1.26 -4.64 118.16 117.65 3lqi n LYS 1590Ca 0.03 0.20 0.07 0.00 -2.02 0.00 0.00 58.31 56.59 3lqi n LYS 1590Cb 0.19 -1.52 0.05 0.00 -0.02 0.00 0.00 35.03 33.73 3lqi n LYS 1590CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3lqi n ASP 1592N 0.64 -5.35 -4.79 0.00 8.00 -0.19 -4.97 116.55 109.88 3lqi n ASP 1592Ca 0.08 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.22 3lqi n ASP 1592Cb 0.35 -3.22 -0.06 0.00 -0.02 0.00 0.00 41.12 38.17 3lqi n ASP 1592CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3lqi s ARG 1593N -1.79 4.37 0.10 -1.24 6.06 -1.26 -4.67 118.95 120.51 3lqi s ARG 1593Ca 0.00 1.31 -0.12 0.00 -2.50 0.00 0.00 55.73 54.42 3lqi s ARG 1593Cb 0.00 -2.54 -0.06 0.00 0.06 0.00 0.00 34.95 32.40 3lqi s ARG 1593CO 0.00 0.08 0.46 -1.58 -2.50 0.00 0.00 175.30 171.75 3lqi s TRP 1594N -1.80 3.60 -0.05 5.12 0.52 -1.26 -1.30 118.94 123.77 3lqi s TRP 1594Ca 0.56 0.91 0.02 0.00 0.02 0.00 0.00 56.10 57.61 3lqi s TRP 1594Cb -0.17 -2.25 0.01 0.00 -1.15 0.00 0.00 33.47 29.92 3lqi s TRP 1594CO 0.21 0.49 -0.11 0.08 0.02 0.00 0.00 176.95 177.65 3lqi s VAL 1595N -1.40 0.98 0.31 4.03 1.01 0.70 -4.21 120.40 121.83 3lqi s VAL 1595Ca 0.34 -0.41 -0.29 0.00 0.00 0.00 0.00 61.98 61.62 3lqi s VAL 1595Cb -0.15 -0.90 -0.10 0.00 0.00 0.00 0.00 36.38 35.23 3lqi s VAL 1595CO 0.18 0.31 1.39 -1.00 0.00 0.00 0.00 175.10 175.99 3lqi s HIS 1596N 0.55 2.94 0.28 5.22 3.76 -1.26 -0.66 115.29 126.13 3lqi s HIS 1596Ca -0.11 1.23 -0.03 0.00 -0.15 0.00 0.00 55.06 56.00 3lqi s HIS 1596Cb -0.14 -3.80 0.38 0.00 1.11 0.00 0.00 32.58 30.14 3lqi s HIS 1596CO 0.02 -2.38 1.95 0.66 -0.85 0.00 0.00 174.74 174.15 3lqi h SER 1597N 3.88 1.01 0.24 1.40 4.64 -1.26 -2.20 113.55 121.25 3lqi h SER 1597Ca -0.48 -0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 60.76 3lqi h SER 1597Cb 1.23 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 3lqi h SER 1597CO 0.69 0.74 -0.22 0.07 -0.87 0.00 0.00 176.83 177.24 3lqi h LYS 1598N 1.19 0.00 0.00 4.77 2.10 -1.81 -1.85 116.57 120.96 3lqi h LYS 1598Ca 0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.97 3lqi h LYS 1598Cb -0.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.21 3lqi h LYS 1598CO -0.07 0.22 0.00 0.00 -2.00 0.00 0.00 179.45 177.60 3lqi n GLU 1600N -2.72 3.45 -3.69 0.00 -0.58 -0.89 -4.94 120.64 111.28 3lqi n GLU 1600Ca 0.01 -2.77 -0.25 0.00 -0.42 0.00 0.00 57.16 53.73 3lqi n GLU 1600Cb 0.27 -1.78 0.06 0.00 -0.57 0.00 0.00 31.44 29.42 3lqi n GLU 1600CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3lqi n ASN 1601N 1.02 -4.81 -4.48 1.62 3.02 -0.57 -4.98 115.26 106.08 3lqi n ASN 1601Ca 0.24 -0.66 -0.34 0.00 -0.03 0.00 0.00 54.58 53.79 3lqi n ASN 1601Cb 0.80 -4.58 -0.12 0.00 -0.61 0.00 0.00 39.78 35.27 3lqi n ASN 1601CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3lqi s LEU 1602N -7.12 3.29 0.99 3.41 1.43 -0.75 -5.03 118.68 114.90 3lqi s LEU 1602Ca 0.48 -0.15 -0.13 0.00 -1.03 0.00 0.00 54.13 53.30 3lqi s LEU 1602Cb -0.22 -1.81 0.18 0.00 0.03 0.00 0.00 46.19 44.37 3lqi s LEU 1602CO 0.77 0.12 1.11 -0.94 0.23 0.00 0.00 176.35 177.64 3lqi s SER 1603N 0.65 2.76 0.47 2.29 1.04 -1.26 -4.07 113.70 115.58 3lqi s SER 1603Ca -0.01 1.06 0.17 0.00 0.48 0.00 0.00 55.95 57.65 3lqi s SER 1603Cb -0.14 -1.68 1.12 0.00 0.10 0.00 0.00 66.02 65.42 3lqi s SER 1603CO 0.02 -3.03 2.02 0.44 0.98 0.00 0.00 173.24 173.67 3lqi h ASP 1604N -1.83 0.00 -0.11 7.02 3.32 -1.99 -2.20 116.42 120.64 3lqi h ASP 1604Ca -0.53 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.51 3lqi h ASP 1604Cb 1.33 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.88 3lqi h ASP 1604CO 0.58 0.16 0.02 -0.33 -1.72 0.00 0.00 179.24 177.95 3lqi h GLU 1605N 0.00 0.18 -0.95 3.56 5.08 -2.00 -1.91 114.58 118.54 3lqi h GLU 1605Ca -0.00 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.36 3lqi h GLU 1605Cb 0.30 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 3lqi h GLU 1605CO 0.02 0.37 0.61 0.52 -1.00 0.00 0.00 179.01 179.53 3lqi h MET 1606N -0.03 1.11 -0.55 2.33 2.86 -1.80 -0.77 114.93 118.08 3lqi h MET 1606Ca 0.04 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.61 3lqi h MET 1606Cb 0.27 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 3lqi h MET 1606CO 0.00 0.74 0.37 -0.92 1.06 0.00 0.00 176.91 178.15 3lqi h TYR 1607N 1.15 0.70 -0.31 -0.22 3.20 -1.24 0.16 116.97 120.40 3lqi h TYR 1607Ca 0.40 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.25 3lqi h TYR 1607Cb 0.09 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 3lqi h TYR 1607CO -0.01 0.44 0.09 0.93 -1.64 0.00 0.00 178.16 177.97 3lqi h GLU 1608N 0.75 0.50 -0.39 1.82 4.39 -0.60 -2.20 114.58 118.84 3lqi h GLU 1608Ca 0.20 -0.11 -0.05 0.00 0.34 0.00 0.00 59.36 59.74 3lqi h GLU 1608Cb -0.09 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.48 3lqi h GLU 1608CO -0.04 0.55 0.01 0.82 -1.16 0.00 0.00 179.01 179.19 3lqi h ILE 1609N 0.35 1.21 -0.24 3.13 2.04 -0.86 -2.43 117.51 120.71 3lqi h ILE 1609Ca 0.10 -0.84 -0.00 0.00 1.00 0.00 0.00 64.86 65.12 3lqi h ILE 1609Cb 0.27 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3lqi h ILE 1609CO -0.00 0.29 0.13 0.25 0.00 0.00 0.00 178.15 178.82 3lqi h LEU 1610N 0.59 0.29 -0.94 1.44 5.85 -0.47 -0.55 115.31 121.52 3lqi h LEU 1610Ca 0.12 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3lqi h LEU 1610Cb 0.35 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.31 3lqi h LEU 1610CO 0.01 0.29 0.07 -1.20 -0.34 0.00 0.00 178.44 177.26 3lqi n SER 1611N -4.87 0.37 -0.00 1.25 7.64 -0.85 -1.48 113.62 115.68 3lqi n SER 1611Ca -0.03 0.64 0.10 0.00 1.01 0.00 0.00 58.87 60.59 3lqi n SER 1611Cb 0.07 -0.67 -0.11 0.00 -1.01 0.00 0.00 64.21 62.49 3lqi n SER 1611CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3lqi n ASN 1612N -2.00 0.95 -4.55 6.43 5.03 -0.24 -5.00 115.26 115.89 3lqi n ASN 1612Ca -0.01 -0.97 -0.29 0.00 0.87 0.00 0.00 54.58 54.19 3lqi n ASN 1612Cb 0.09 1.00 0.21 0.00 -1.02 0.00 0.00 39.78 40.06 3lqi n ASN 1612CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3lqi s LEU 1613N -2.96 1.20 0.57 3.41 1.43 -0.55 -4.98 118.68 116.81 3lqi s LEU 1613Ca 0.08 1.19 -0.19 0.00 -1.03 0.00 0.00 54.13 54.18 3lqi s LEU 1613Cb 0.15 -3.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.09 3lqi s LEU 1613CO 0.83 -3.58 1.18 -2.84 0.23 0.00 0.00 176.35 172.16 3lqi s PRO 1614N -4.87 3.11 0.37 1.29 0.02 -1.26 -4.91 135.00 128.75 3lqi s PRO 1614Ca 0.67 1.76 0.08 0.00 0.02 0.00 0.00 61.00 63.53 3lqi s PRO 1614Cb -0.20 -1.96 0.81 0.00 0.02 0.00 0.00 34.50 33.17 3lqi s PRO 1614CO 0.59 -1.08 1.94 0.93 -0.33 0.00 0.00 177.00 179.06 3lqi h GLU 1615N 1.01 0.67 0.00 5.54 5.08 -1.98 -1.23 114.58 123.66 3lqi h GLU 1615Ca -0.50 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 57.81 3lqi h GLU 1615Cb 1.29 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 3lqi h GLU 1615CO 0.56 0.44 -0.01 0.66 -1.00 0.00 0.00 179.01 179.65 3lqi h SER 1616N 0.69 0.00 -2.66 1.42 4.64 -2.04 -3.36 113.55 112.24 3lqi h SER 1616Ca 0.34 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.98 3lqi h SER 1616Cb 0.43 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.34 3lqi h SER 1616CO -0.12 0.01 0.57 -0.69 -0.87 0.00 0.00 176.83 175.73 3lqi s VAL 1617N -3.98 4.67 0.39 0.95 1.01 -0.47 -5.02 120.40 117.96 3lqi s VAL 1617Ca -0.02 -1.15 -0.16 0.00 0.00 0.00 0.00 61.98 60.64 3lqi s VAL 1617Cb 0.11 -4.68 -0.09 0.00 0.00 0.00 0.00 36.38 31.72 3lqi s VAL 1617CO 0.48 -1.39 0.84 0.00 0.00 0.00 0.00 175.10 175.03 3lqi s ALA 1618N 2.96 3.21 0.22 5.51 0.00 -1.26 -4.81 121.76 127.58 3lqi s ALA 1618Ca 0.25 0.14 -0.20 0.00 0.00 0.00 0.00 51.96 52.15 3lqi s ALA 1618Cb -0.12 -2.92 -0.08 0.00 0.00 0.00 0.00 23.12 19.99 3lqi s ALA 1618CO -0.01 0.16 0.72 -0.47 0.00 0.00 0.00 175.76 176.17 3lqi s TYR 1619N -2.17 3.66 -0.05 0.00 5.04 -1.26 -4.42 117.35 118.16 3lqi s TYR 1619Ca 0.57 1.40 0.01 0.00 -2.44 0.00 0.00 57.07 56.60 3lqi s TYR 1619Cb -0.10 -2.62 0.02 0.00 0.35 0.00 0.00 41.96 39.61 3lqi s TYR 1619CO 0.19 0.35 -0.03 0.95 -1.34 0.00 0.00 175.55 175.67 3lqi s THR 1620N -1.50 0.47 1.08 4.34 -4.23 -1.26 -0.96 115.64 113.57 3lqi s THR 1620Ca 0.42 -0.06 -0.13 0.00 -1.18 0.00 0.00 61.69 60.75 3lqi s THR 1620Cb -0.17 -0.52 0.23 0.00 1.34 0.00 0.00 72.50 73.39 3lqi s THR 1620CO 0.21 0.22 1.06 0.00 -0.54 0.00 0.00 174.62 175.57 3lqi h VAL 1622N -2.25 0.97 -0.29 0.00 2.07 -1.99 -1.93 116.25 112.84 3lqi h VAL 1622Ca -0.58 -0.26 -0.09 0.00 0.82 0.00 0.00 66.70 66.60 3lqi h VAL 1622Cb 1.33 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3lqi h VAL 1622CO 0.54 0.14 -0.19 0.78 0.02 0.00 0.00 177.57 178.86 3lqi h ASN 1623N 0.76 0.52 0.63 0.57 2.35 -1.99 -2.95 115.58 115.46 3lqi h ASN 1623Ca 0.33 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 3lqi h ASN 1623Cb 0.21 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.44 3lqi h ASN 1623CO -0.19 0.72 -0.34 0.00 -1.65 0.00 0.00 177.43 175.96 3lqi s THR 1625N -2.97 3.69 0.04 0.00 2.01 -0.75 -4.91 115.64 112.76 3lqi s THR 1625Ca 0.13 0.75 -0.32 0.00 0.31 0.00 0.00 61.69 62.55 3lqi s THR 1625Cb 0.18 -3.80 -0.18 0.00 0.01 0.00 0.00 72.50 68.71 3lqi s THR 1625CO 0.64 -0.42 1.37 -0.33 -0.69 0.00 0.00 174.62 175.19 3lqi h GLU 1626N 11.26 -1.07 -6.16 4.92 5.08 -1.88 -3.45 114.58 123.28 3lqi h GLU 1626Ca -0.32 0.07 -0.61 0.00 -1.00 0.00 0.00 59.36 57.51 3lqi h GLU 1626Cb 1.15 0.24 -0.27 0.00 0.50 0.00 0.00 28.75 30.37 3lqi h GLU 1626CO 1.03 -0.71 -0.85 0.50 -1.00 0.00 0.00 179.01 177.98 3lqi s ARG 1627N -5.39 1.55 -0.10 2.33 6.06 -1.26 -5.13 118.95 117.00 3lqi s ARG 1627Ca -0.17 -0.90 -0.03 0.00 -2.50 0.00 0.00 55.73 52.13 3lqi s ARG 1627Cb 0.02 -1.62 -0.03 0.00 0.06 0.00 0.00 34.95 33.38 3lqi s ARG 1627CO 0.53 0.42 0.01 -1.01 -2.50 0.00 0.00 175.30 172.75 3lqi s HIS 1628N -0.70 3.17 0.49 5.12 3.76 -1.26 -3.10 115.29 122.77 3lqi s HIS 1628Ca 0.08 0.14 -0.20 0.00 -0.15 0.00 0.00 55.06 54.93 3lqi s HIS 1628Cb -0.09 -1.84 -0.08 0.00 1.11 0.00 0.00 32.58 31.68 3lqi s HIS 1628CO 0.01 0.40 1.05 -1.25 -0.85 0.00 0.00 174.74 174.09 3lqi s PRO 1629N -0.64 3.77 0.62 8.40 0.04 -1.26 -5.12 135.00 140.81 3lqi s PRO 1629Ca 0.11 1.38 -0.19 0.00 0.04 0.00 0.00 61.00 62.34 3lqi s PRO 1629Cb -0.12 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.31 3lqi s PRO 1629CO 0.02 -0.46 1.31 0.00 0.04 0.00 0.00 177.00 177.91 3lqi s ALA 1630N -1.96 2.49 0.21 8.56 0.00 -1.18 -4.87 121.76 125.01 3lqi s ALA 1630Ca 0.68 1.24 -0.09 0.00 0.00 0.00 0.00 51.96 53.78 3lqi s ALA 1630Cb -0.17 -3.55 0.29 0.00 0.00 0.00 0.00 23.12 19.69 3lqi s ALA 1630CO 0.20 -1.53 1.73 1.49 0.00 0.00 0.00 175.76 177.65 3lqi h GLU 1631N 0.79 0.33 0.00 0.00 4.81 -1.92 -1.60 114.58 116.98 3lqi h GLU 1631Ca -0.51 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 58.68 3lqi h GLU 1631Cb 1.33 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 3lqi h GLU 1631CO 0.54 0.22 -0.10 0.11 -0.73 0.00 0.00 179.01 179.05 3lqi h TRP 1632N 0.34 0.00 -0.13 0.92 5.08 -1.91 -1.47 115.95 118.77 3lqi h TRP 1632Ca 0.31 0.00 -0.18 0.00 1.08 0.00 0.00 58.89 60.11 3lqi h TRP 1632Cb 0.43 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.59 3lqi h TRP 1632CO -0.20 0.10 -0.65 0.00 -1.28 0.00 0.00 178.44 176.41 3lqi h ARG 1633N 0.00 0.51 -0.35 0.12 3.08 -1.65 -1.29 114.38 114.80 3lqi h ARG 1633Ca -0.00 -0.37 -0.14 0.00 0.07 0.00 0.00 59.98 59.54 3lqi h ARG 1633Cb 0.19 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 3lqi h ARG 1633CO 0.01 0.99 -0.31 -0.07 -1.07 0.00 0.00 179.97 179.52 3lqi h LEU 1634N 0.37 0.88 -0.81 3.04 3.38 -1.20 -1.43 115.31 119.54 3lqi h LEU 1634Ca -0.02 -0.46 -0.08 0.00 0.09 0.00 0.00 57.88 57.42 3lqi h LEU 1634Cb 1.22 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 3lqi h LEU 1634CO 0.12 1.15 0.02 0.00 0.09 0.00 0.00 178.44 179.82 3lqi h ALA 1635N 0.75 1.01 -0.27 1.53 0.00 -1.26 -1.62 119.26 119.41 3lqi h ALA 1635Ca 0.06 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 3lqi h ALA 1635Cb 0.89 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3lqi h ALA 1635CO 0.08 0.61 -0.02 1.25 0.00 0.00 0.00 179.25 181.17 3lqi h LEU 1636N 0.85 0.48 -0.61 0.00 5.85 -1.13 -0.03 115.31 120.72 3lqi h LEU 1636Ca 0.16 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.56 3lqi h LEU 1636Cb 0.47 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 3lqi h LEU 1636CO 0.02 0.69 0.40 -0.08 -0.34 0.00 0.00 178.44 179.13 3lqi h GLU 1637N 0.26 0.80 -0.35 1.25 4.22 -1.09 -2.02 114.58 117.66 3lqi h GLU 1637Ca 0.07 -0.05 -0.15 0.00 0.08 0.00 0.00 59.36 59.31 3lqi h GLU 1637Cb 0.46 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 3lqi h GLU 1637CO 0.02 0.54 -0.38 0.87 -2.18 0.00 0.00 179.01 177.88 3lqi h LYS 1638N 0.82 0.87 -0.75 1.92 1.57 -1.20 -2.86 116.57 116.95 3lqi h LYS 1638Ca 0.22 -0.47 0.01 0.00 -1.87 0.00 0.00 60.65 58.53 3lqi h LYS 1638Cb -0.08 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 3lqi h LYS 1638CO -0.05 1.12 0.49 1.49 -0.57 0.00 0.00 179.45 181.93 3lqi h GLU 1639N 0.66 0.99 0.01 3.15 4.57 -0.81 -0.13 114.58 123.02 3lqi h GLU 1639Ca 0.05 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3lqi h GLU 1639Cb 0.97 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 29.34 3lqi h GLU 1639CO 0.09 0.66 -0.00 1.25 -1.18 0.00 0.00 179.01 179.83 3lqi h LEU 1640N 1.01 -0.01 -0.24 1.64 5.85 -1.35 -1.70 115.31 120.52 3lqi h LEU 1640Ca 0.27 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 3lqi h LEU 1640Cb -0.10 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 3lqi h LEU 1640CO -0.06 0.09 0.13 1.56 -0.34 0.00 0.00 178.44 179.83 3lqi h GLN 1641N -0.11 0.33 -0.64 1.25 1.08 -1.26 -1.26 115.11 114.51 3lqi h GLN 1641Ca -0.00 -0.04 0.09 0.00 -1.45 0.00 0.00 58.65 57.25 3lqi h GLN 1641Cb 0.11 -0.07 -0.07 0.00 -0.05 0.00 0.00 27.48 27.40 3lqi h GLN 1641CO 0.00 0.30 0.29 0.82 -0.95 0.00 0.00 178.83 179.28 3lqi h ILE 1642N 0.28 0.83 -0.25 2.54 2.04 -0.99 -0.77 117.51 121.19 3lqi h ILE 1642Ca 0.08 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 3lqi h ILE 1642Cb 0.06 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 3lqi h ILE 1642CO -0.01 0.09 0.05 0.28 0.00 0.00 0.00 178.15 178.56 3lqi h SER 1643N 0.50 0.39 -0.77 1.72 0.02 -1.03 -0.42 113.55 113.97 3lqi h SER 1643Ca 0.31 -0.24 0.01 0.00 -0.84 0.00 0.00 61.79 61.04 3lqi h SER 1643Cb 0.34 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.74 3lqi h SER 1643CO -0.27 0.53 0.51 -0.07 -1.14 0.00 0.00 176.83 176.39 3lqi h LEU 1644N 0.23 0.87 -0.99 5.07 3.38 -0.91 -2.08 115.31 120.89 3lqi h LEU 1644Ca 0.08 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3lqi h LEU 1644Cb 0.30 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3lqi h LEU 1644CO 0.00 0.62 0.27 0.50 0.09 0.00 0.00 178.44 179.92 3lqi h LYS 1645N 1.02 0.99 -0.42 1.13 3.64 -0.90 -1.47 116.57 120.57 3lqi h LYS 1645Ca 0.29 -0.17 0.07 0.00 -1.27 0.00 0.00 60.65 59.58 3lqi h LYS 1645Cb -0.08 -0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 31.50 3lqi h LYS 1645CO -0.08 0.81 0.03 1.96 -2.27 0.00 0.00 179.45 179.91 3lqi h GLN 1646N 0.97 0.14 0.17 1.90 4.20 -0.38 0.19 115.11 122.31 3lqi h GLN 1646Ca 0.23 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.92 3lqi h GLN 1646Cb 0.19 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.94 3lqi h GLN 1646CO -0.02 0.09 -0.08 0.28 -0.67 0.00 0.00 178.83 178.43 3lqi h VAL 1647N 0.14 0.95 -0.38 -0.54 2.07 -1.13 -2.02 116.25 115.34 3lqi h VAL 1647Ca 0.21 -0.64 0.06 0.00 0.82 0.00 0.00 66.70 67.14 3lqi h VAL 1647Cb 0.28 1.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.33 3lqi h VAL 1647CO -0.32 0.15 0.07 0.25 0.02 0.00 0.00 177.57 177.74 3lqi h LEU 1648N -0.54 -0.01 -1.04 2.57 5.85 -1.08 -1.08 115.31 119.98 3lqi h LEU 1648Ca -0.02 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.81 3lqi h LEU 1648Cb 0.41 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 3lqi h LEU 1648CO 0.04 0.03 0.64 0.74 -0.34 0.00 0.00 178.44 179.55 3lqi h THR 1649N 0.19 1.13 -0.57 1.05 2.02 -0.62 0.60 112.91 116.71 3lqi h THR 1649Ca 0.19 -0.41 -0.05 0.00 0.77 0.00 0.00 66.41 66.90 3lqi h THR 1649Cb 0.23 -0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 66.44 3lqi h THR 1649CO -0.25 0.22 0.15 0.00 0.37 0.00 0.00 175.52 176.00 3lqi h ALA 1650N 1.45 1.19 0.02 6.16 0.00 -0.54 -1.20 119.26 126.34 3lqi h ALA 1650Ca 0.40 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3lqi h ALA 1650Cb 0.08 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3lqi h ALA 1650CO -0.14 0.56 -0.01 -0.07 0.00 0.00 0.00 179.25 179.59 3lqi h LEU 1651N 0.84 -0.02 -1.81 0.00 3.38 0.10 -2.72 115.31 115.08 3lqi h LEU 1651Ca 0.19 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 3lqi h LEU 1651Cb 0.29 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 3lqi h LEU 1651CO -0.00 0.36 -0.12 -0.07 0.09 0.00 0.00 178.44 178.70 3lqi h LEU 1652N -0.41 0.00 0.00 1.67 3.38 -0.83 -1.99 115.31 117.13 3lqi h LEU 1652Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3lqi h LEU 1652Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3lqi h LEU 1652CO 0.00 0.12 -0.19 0.59 0.09 0.00 0.00 178.44 179.06 3lqi n ASN 1653N -4.25 0.52 -4.52 -0.43 3.02 -0.46 -4.57 115.26 104.57 3lqi n ASN 1653Ca -0.03 0.36 -0.42 0.00 -0.03 0.00 0.00 54.58 54.47 3lqi n ASN 1653Cb 0.20 -0.39 -0.03 0.00 -0.61 0.00 0.00 39.78 38.94 3lqi n ASN 1653CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3lqi s SER 1654N -3.85 6.25 0.40 6.41 0.15 -0.75 -4.90 113.70 117.41 3lqi s SER 1654Ca 0.11 -0.52 0.13 0.00 0.70 0.00 0.00 55.95 56.37 3lqi s SER 1654Cb 0.15 -2.48 0.96 0.00 -1.71 0.00 0.00 66.02 62.94 3lqi s SER 1654CO 0.62 -1.51 1.91 0.03 1.20 0.00 0.00 173.24 175.49 3lqi h ARG 1655N 9.63 0.50 -0.08 5.44 3.08 -1.83 0.67 114.38 131.80 3lqi h ARG 1655Ca -0.27 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.73 3lqi h ARG 1655Cb 1.06 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 31.00 3lqi h ARG 1655CO 1.19 0.33 -0.01 0.00 -1.07 0.00 0.00 179.97 180.41 3lqi h THR 1656N 0.52 1.26 -0.14 2.04 1.03 -1.92 0.65 112.91 116.34 3lqi h THR 1656Ca 0.39 -0.83 -0.00 0.00 -0.01 0.00 0.00 66.41 65.95 3lqi h THR 1656Cb 0.77 1.67 -0.01 0.00 -1.07 0.00 0.00 68.15 69.51 3lqi h THR 1656CO -0.14 0.23 0.07 0.74 -0.01 0.00 0.00 175.52 176.41 3lqi h THR 1657N -0.16 1.10 -0.77 0.00 2.02 -1.58 -1.92 112.91 111.61 3lqi h THR 1657Ca 0.02 -0.29 0.02 0.00 0.77 0.00 0.00 66.41 66.93 3lqi h THR 1657Cb 0.37 1.05 -0.04 0.00 -1.74 0.00 0.00 68.15 67.78 3lqi h THR 1657CO 0.01 0.10 0.50 -1.28 0.37 0.00 0.00 175.52 175.21 3lqi h SER 1658N 0.12 0.85 0.35 4.18 0.87 0.38 0.22 113.55 120.52 3lqi h SER 1658Ca 0.05 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.59 3lqi h SER 1658Cb 0.09 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.82 3lqi h SER 1658CO -0.01 0.61 -0.38 -0.74 -0.53 0.00 0.00 176.83 175.78 3lqi h HIS 1659N 1.00 -1.04 0.00 2.24 2.76 0.70 -0.71 115.15 120.10 3lqi h HIS 1659Ca 0.29 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.42 3lqi h HIS 1659Cb -0.07 0.41 -0.01 0.00 1.55 0.00 0.00 27.41 29.29 3lqi h HIS 1659CO -0.02 -0.53 -0.25 -0.07 -1.30 0.00 0.00 177.93 175.75 3lqi h LEU 1660N -0.77 0.00 -0.11 0.26 4.07 -1.19 -3.40 115.31 114.17 3lqi h LEU 1660Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 3lqi h LEU 1660Cb 0.70 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.44 3lqi h LEU 1660CO -0.08 0.25 0.00 0.18 -1.08 0.00 0.00 178.44 177.71 3lqi n LEU 1661N -3.27 0.11 0.34 1.67 4.77 0.05 -4.88 117.00 115.79 3lqi n LEU 1661Ca 0.01 -0.32 -0.17 0.00 -0.03 0.00 0.00 56.01 55.51 3lqi n LEU 1661Cb 0.53 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.53 3lqi n LEU 1661CO 0.35 0.03 0.57 -0.09 -1.33 0.00 0.00 177.39 176.92 3lqi h ARG 1662N 0.00 -0.82 -5.00 3.23 2.43 -1.25 0.43 114.38 113.40 3lqi h ARG 1662Ca 0.00 0.06 -0.67 0.00 -0.81 0.00 0.00 59.98 58.56 3lqi h ARG 1662Cb 0.05 0.19 -0.32 0.00 -0.42 0.00 0.00 29.97 29.47 3lqi h ARG 1662CO 0.00 -0.51 -0.79 0.71 -1.51 0.00 0.00 179.97 177.87 3lqi s TYR 1663N -5.50 2.92 0.82 2.20 2.02 -1.26 -1.19 117.35 117.36 3lqi s TYR 1663Ca -0.16 -1.42 -0.11 0.00 -0.37 0.00 0.00 57.07 55.00 3lqi s TYR 1663Cb 0.03 -2.01 0.09 0.00 -0.40 0.00 0.00 41.96 39.66 3lqi s TYR 1663CO 0.56 -0.71 1.14 0.50 -1.57 0.00 0.00 175.55 175.48 3lqi s ARG 1664N 1.35 1.73 0.00 -0.62 3.52 -1.26 -5.00 118.95 118.67 3lqi s ARG 1664Ca 0.04 1.47 0.05 0.00 -0.13 0.00 0.00 55.73 57.16 3lqi s ARG 1664Cb -0.14 -1.81 0.08 0.00 -1.56 0.00 0.00 34.95 31.51 3lqi s ARG 1664CO -0.08 -2.09 0.89 0.00 -0.81 0.00 0.00 175.30 173.22 3lqi n GLN 1665N -3.60 0.00 -0.62 5.12 10.64 -1.26 -5.14 117.38 122.52 3lqi n GLN 1665Ca 0.11 -0.91 0.49 0.00 -1.83 0.00 0.00 57.00 54.86 3lqi n GLN 1665Cb 0.52 0.12 0.80 0.00 -0.86 0.00 0.00 30.24 30.81 3lqi n GLN 1665CO 0.00 0.00 0.00 0.37 -1.83 0.00 0.00 177.06 175.60 3lqi h GLN 1704N 0.19 0.01 -6.75 2.61 4.15 -1.99 -3.55 115.11 109.79 3lqi h GLN 1704Ca -0.26 -0.00 -0.49 0.00 0.77 0.00 0.00 58.65 58.67 3lqi h GLN 1704Cb 1.39 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.06 3lqi h GLN 1704CO -0.09 0.00 0.36 -1.25 -1.93 0.00 0.00 178.83 175.93 3lqi s PRO 1705N -4.92 4.83 0.00 -2.39 0.04 -1.26 -4.96 135.00 126.35 3lqi s PRO 1705Ca -0.05 1.52 0.20 0.00 0.04 0.00 0.00 61.00 62.71 3lqi s PRO 1705Cb 0.27 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.49 3lqi s PRO 1705CO 0.88 0.48 0.99 1.28 0.04 0.00 0.00 177.00 180.66 3lqi n LEU 1706N 1.50 1.74 -4.00 -3.56 4.77 -1.26 -4.89 117.00 111.31 3lqi n LEU 1706Ca -0.02 -0.72 -0.10 0.00 -0.03 0.00 0.00 56.01 55.15 3lqi n LEU 1706Cb 0.47 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.49 3lqi n LEU 1706CO 0.50 0.34 0.02 1.51 -1.33 0.00 0.00 177.39 178.44 3lqi s ASP 1707N -2.40 0.00 0.51 -1.43 1.47 -1.26 -4.80 116.67 108.76 3lqi s ASP 1707Ca 0.15 -0.95 0.17 0.00 1.18 0.00 0.00 52.55 53.10 3lqi s ASP 1707Cb 0.16 0.48 1.26 0.00 -0.34 0.00 0.00 42.92 44.49 3lqi s ASP 1707CO 0.57 -0.97 2.11 -0.07 0.68 0.00 0.00 175.17 177.49 3lqi h LEU 1708N 2.45 0.04 -0.87 2.11 4.07 -0.83 0.52 115.31 122.79 3lqi h LEU 1708Ca -0.30 -0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.58 3lqi h LEU 1708Cb 1.24 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.95 3lqi h LEU 1708CO 0.44 0.03 0.02 -0.08 -1.08 0.00 0.00 178.44 177.77 3lqi h GLU 1709N 0.04 0.86 -0.24 1.13 4.57 -1.37 -0.30 114.58 119.28 3lqi h GLU 1709Ca 0.07 -0.23 -0.13 0.00 -1.18 0.00 0.00 59.36 57.89 3lqi h GLU 1709Cb 0.21 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 3lqi h GLU 1709CO -0.00 0.84 -0.38 0.78 -1.18 0.00 0.00 179.01 179.07 3lqi h GLY 1710N 0.99 0.59 0.91 1.92 0.00 -1.16 -1.69 103.07 104.63 3lqi h GLY 1710Ca 0.16 -0.57 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 3lqi h GLY 1710CO 0.02 0.52 0.07 -2.08 0.00 0.00 0.00 176.54 175.07 3lqi h VAL 1711N 0.45 1.23 -0.32 4.60 2.07 -0.83 -0.86 116.25 122.59 3lqi h VAL 1711Ca 0.04 -0.78 0.05 0.00 0.82 0.00 0.00 66.70 66.83 3lqi h VAL 1711Cb 0.87 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 3lqi h VAL 1711CO 0.07 0.26 0.06 0.50 0.02 0.00 0.00 177.57 178.49 3lqi h LYS 1712N 0.40 0.17 -0.26 1.57 3.64 -0.86 0.73 116.57 121.96 3lqi h LYS 1712Ca 0.11 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3lqi h LYS 1712Cb 0.32 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3lqi h LYS 1712CO 0.00 0.11 0.16 -0.09 -2.27 0.00 0.00 179.45 177.37 3lqi h ARG 1713N 0.17 0.33 -0.16 1.90 2.43 -1.13 0.15 114.38 118.07 3lqi h ARG 1713Ca 0.15 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 3lqi h ARG 1713Cb 0.17 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3lqi h ARG 1713CO -0.20 0.22 0.02 -0.22 -1.51 0.00 0.00 179.97 178.28 3lqi h LYS 1714N 0.34 0.22 -0.01 0.20 3.64 -0.67 -2.59 116.57 117.71 3lqi h LYS 1714Ca 0.09 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.28 3lqi h LYS 1714Cb -0.03 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3lqi h LYS 1714CO -0.03 0.22 -0.66 1.98 -2.27 0.00 0.00 179.45 178.70 3lqi h MET 1715N 0.22 0.46 -0.92 1.90 4.05 0.09 -2.18 114.93 118.55 3lqi h MET 1715Ca 0.06 -0.48 0.05 0.00 -0.28 0.00 0.00 59.70 59.04 3lqi h MET 1715Cb 0.12 0.14 -0.06 0.00 -0.80 0.00 0.00 31.60 31.00 3lqi h MET 1715CO -0.00 1.13 0.60 -0.44 0.23 0.00 0.00 176.91 178.44 3lqi h ASP 1716N -0.02 0.97 0.21 1.39 3.32 -0.40 -0.51 116.42 121.38 3lqi h ASP 1716Ca -0.08 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.97 3lqi h ASP 1716Cb 1.36 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.70 3lqi h ASP 1716CO 0.13 0.65 0.00 0.00 -1.72 0.00 0.00 179.24 178.30 3lqi n GLN 1717N -4.46 0.63 -2.31 3.56 10.64 -1.01 -4.89 117.38 119.54 3lqi n GLN 1717Ca 0.13 0.02 -0.03 0.00 -1.83 0.00 0.00 57.00 55.29 3lqi n GLN 1717Cb 0.14 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.02 3lqi n GLN 1717CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3lqi n GLY 1718N 0.77 0.51 1.16 2.61 0.00 -0.20 -4.99 105.19 105.05 3lqi n GLY 1718Ca 0.17 -0.69 0.10 0.00 0.00 0.00 0.00 46.02 45.59 3lqi n GLY 1718CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3lqi n ASN 1719N 1.29 3.76 -4.53 1.61 5.03 -0.82 -4.84 115.26 116.76 3lqi n ASN 1719Ca -0.01 -2.09 -0.41 0.00 0.87 0.00 0.00 54.58 52.94 3lqi n ASN 1719Cb 0.51 -0.43 -0.10 0.00 -1.02 0.00 0.00 39.78 38.75 3lqi n ASN 1719CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 3lqi s TYR 1720N -1.16 3.22 -0.37 3.10 2.02 -1.26 -4.92 117.35 117.99 3lqi s TYR 1720Ca 0.41 -0.17 0.04 0.00 -0.37 0.00 0.00 57.07 56.98 3lqi s TYR 1720Cb 0.23 -2.58 0.08 0.00 -0.40 0.00 0.00 41.96 39.29 3lqi s TYR 1720CO 0.26 -0.42 0.92 -2.37 -1.57 0.00 0.00 175.55 172.38 3lqi n THR 1721N 5.18 0.65 -3.55 -0.71 5.66 -1.26 -4.97 114.28 115.27 3lqi n THR 1721Ca -0.11 -0.82 -0.15 0.00 -3.05 0.00 0.00 64.05 59.92 3lqi n THR 1721Cb 0.49 0.70 -0.05 0.00 -1.55 0.00 0.00 70.33 69.92 3lqi n THR 1721CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3lqi s SER 1722N -0.76 -0.50 0.21 1.09 1.04 -1.26 -5.03 113.70 108.49 3lqi s SER 1722Ca 0.07 0.28 -0.03 0.00 0.48 0.00 0.00 55.95 56.74 3lqi s SER 1722Cb 0.04 0.51 0.16 0.00 0.10 0.00 0.00 66.02 66.83 3lqi s SER 1722CO 0.05 -0.71 1.56 0.58 0.98 0.00 0.00 173.24 175.70 3lqi h VAL 1723N 2.79 1.30 -0.16 5.02 2.07 -1.98 -3.00 116.25 122.29 3lqi h VAL 1723Ca -0.30 -1.60 0.04 0.00 0.82 0.00 0.00 66.70 65.66 3lqi h VAL 1723Cb 1.21 1.55 -0.04 0.00 -1.52 0.00 0.00 31.29 32.49 3lqi h VAL 1723CO 0.40 0.51 -0.11 0.25 0.02 0.00 0.00 177.57 178.64 3lqi h LEU 1724N 0.51 -0.36 -0.51 2.57 5.85 -1.98 0.22 115.31 121.60 3lqi h LEU 1724Ca 0.04 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3lqi h LEU 1724Cb 0.94 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 3lqi h LEU 1724CO 0.08 -0.15 0.26 -0.08 -0.34 0.00 0.00 178.44 178.22 3lqi h GLU 1725N -0.11 0.72 0.60 1.25 4.81 -1.97 0.17 114.58 120.04 3lqi h GLU 1725Ca 0.10 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 3lqi h GLU 1725Cb 0.26 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.51 3lqi h GLU 1725CO -0.23 0.58 -0.31 0.35 -0.73 0.00 0.00 179.01 178.67 3lqi h PHE 1726N 0.67 -0.81 -0.05 0.92 3.57 -1.33 -0.71 116.94 119.21 3lqi h PHE 1726Ca 0.18 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.69 3lqi h PHE 1726Cb 0.09 0.28 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 3lqi h PHE 1726CO -0.01 -0.49 -0.20 1.03 -2.23 0.00 0.00 178.31 176.40 3lqi h SER 1727N -0.84 -0.61 -0.80 0.41 0.87 -0.45 -2.11 113.55 110.03 3lqi h SER 1727Ca -0.08 0.09 0.07 0.00 -1.23 0.00 0.00 61.79 60.65 3lqi h SER 1727Cb 0.65 0.26 -0.06 0.00 -0.44 0.00 0.00 62.40 62.81 3lqi h SER 1727CO 0.12 -0.26 0.47 0.44 -0.53 0.00 0.00 176.83 177.06 3lqi h ASP 1728N -0.30 0.71 -0.40 6.23 3.32 -0.60 0.16 116.42 125.54 3lqi h ASP 1728Ca 0.07 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.18 3lqi h ASP 1728Cb 0.40 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 3lqi h ASP 1728CO -0.22 0.44 0.20 0.44 -1.72 0.00 0.00 179.24 178.38 3lqi h ASP 1729N 0.84 0.29 -0.21 6.45 5.19 -0.72 -0.24 116.42 128.02 3lqi h ASP 1729Ca 0.36 0.02 -0.18 0.00 -0.62 0.00 0.00 57.03 56.61 3lqi h ASP 1729Cb 0.24 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 39.71 3lqi h ASP 1729CO -0.20 0.21 -0.55 0.40 -3.12 0.00 0.00 179.24 175.98 3lqi h ILE 1730N 0.41 1.28 -0.62 0.35 2.04 -0.77 -2.58 117.51 117.62 3lqi h ILE 1730Ca 0.17 -1.75 0.01 0.00 1.00 0.00 0.00 64.86 64.30 3lqi h ILE 1730Cb 0.08 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 3lqi h ILE 1730CO -0.12 0.56 0.41 0.58 0.00 0.00 0.00 178.15 179.58 3lqi h VAL 1731N 0.61 1.14 -0.80 1.67 2.07 -0.43 -0.26 116.25 120.25 3lqi h VAL 1731Ca 0.01 -0.28 0.04 0.00 0.82 0.00 0.00 66.70 67.29 3lqi h VAL 1731Cb 1.14 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 3lqi h VAL 1731CO 0.12 0.15 0.50 0.11 0.02 0.00 0.00 177.57 178.47 3lqi h LYS 1732N 0.82 0.93 -0.20 1.57 1.57 -0.97 0.25 116.57 120.54 3lqi h LYS 1732Ca 0.23 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 3lqi h LYS 1732Cb -0.07 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.03 3lqi h LYS 1732CO -0.06 0.62 0.07 0.82 -0.57 0.00 0.00 179.45 180.32 3lqi h ILE 1733N 0.96 1.18 -0.27 1.86 2.04 -0.95 -0.38 117.51 121.94 3lqi h ILE 1733Ca 0.33 -0.55 -0.07 0.00 1.00 0.00 0.00 64.86 65.58 3lqi h ILE 1733Cb 0.07 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3lqi h ILE 1733CO -0.14 0.18 -0.08 0.40 0.00 0.00 0.00 178.15 178.51 3lqi h ILE 1734N 0.16 1.29 -0.21 -0.67 2.04 -0.71 -2.50 117.51 116.90 3lqi h ILE 1734Ca 0.07 -1.13 -0.04 0.00 1.00 0.00 0.00 64.86 64.76 3lqi h ILE 1734Cb 0.21 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 3lqi h ILE 1734CO -0.00 0.36 -0.05 -0.61 0.00 0.00 0.00 178.15 177.84 3lqi h GLN 1735N 0.29 0.32 -0.38 2.37 5.75 -0.50 -1.50 115.11 121.47 3lqi h GLN 1735Ca 0.07 -0.06 -0.08 0.00 -0.15 0.00 0.00 58.65 58.43 3lqi h GLN 1735Cb 0.57 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.05 3lqi h GLN 1735CO 0.03 0.40 -0.09 0.00 -2.65 0.00 0.00 178.83 176.51 3lqi h ALA 1736N 1.64 1.13 -0.25 3.38 0.00 -0.86 -0.35 119.26 123.96 3lqi h ALA 1736Ca 0.07 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 54.52 3lqi h ALA 1736Cb 0.30 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3lqi h ALA 1736CO 0.01 0.55 -0.53 0.00 0.00 0.00 0.00 179.25 179.27 3lqi h ALA 1737N 1.30 0.59 -0.56 0.00 0.00 -0.88 -2.83 119.26 116.88 3lqi h ALA 1737Ca 0.11 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.40 3lqi h ALA 1737Cb 0.52 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3lqi h ALA 1737CO 0.03 0.68 -0.08 0.82 0.00 0.00 0.00 179.25 180.70 3lqi h ILE 1738N 0.56 1.27 0.00 0.00 2.04 -1.01 -2.67 117.51 117.70 3lqi h ILE 1738Ca 0.02 -1.24 0.00 0.00 1.00 0.00 0.00 64.86 64.64 3lqi h ILE 1738Cb 1.11 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 3lqi h ILE 1738CO 0.11 0.44 0.00 0.78 0.00 0.00 0.00 178.15 179.48 3lqi h ASN 1739N 0.92 0.00 -0.49 1.72 2.35 -0.98 -2.92 115.58 116.18 3lqi h ASN 1739Ca 0.15 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.54 3lqi h ASN 1739Cb 0.65 0.00 -0.32 0.00 0.05 0.00 0.00 38.32 38.70 3lqi h ASN 1739CO 0.04 0.00 -0.79 -1.54 -1.65 0.00 0.00 177.43 173.49 3lqi n SER 1740N -2.44 3.52 0.00 5.81 3.41 -1.03 -4.76 113.62 118.13 3lqi n SER 1740Ca 0.01 -3.48 0.10 0.00 -0.26 0.00 0.00 58.87 55.24 3lqi n SER 1740Cb 0.21 -0.40 0.58 0.00 -0.26 0.00 0.00 64.21 64.34 3lqi n SER 1740CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3lqi n ASP 1741N -0.73 0.00 -0.77 4.04 3.85 -1.05 -4.86 116.55 117.03 3lqi n ASP 1741Ca 0.31 -1.19 -0.09 0.00 -0.71 0.00 0.00 54.79 53.11 3lqi n ASP 1741Cb 0.89 0.00 -0.04 0.00 -1.35 0.00 0.00 41.12 40.62 3lqi n ASP 1741CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3lqi n GLY 1742N 0.68 0.87 2.33 6.12 0.00 -1.26 -1.39 105.19 112.54 3lqi n GLY 1742Ca 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.14 3lqi n GLY 1742CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lqi n GLY 1743N 0.26 0.57 3.64 -0.02 0.00 -1.26 -4.99 105.19 103.40 3lqi n GLY 1743Ca -0.09 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 3lqi n GLY 1743CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3lqi s GLN 1744N -1.49 4.18 0.34 1.61 -1.52 -0.48 -4.96 119.66 117.34 3lqi s GLN 1744Ca 0.00 0.94 0.06 0.00 -1.95 0.00 0.00 55.36 54.42 3lqi s GLN 1744Cb 0.00 -3.65 0.74 0.00 -0.22 0.00 0.00 33.01 29.88 3lqi s GLN 1744CO 0.00 -0.53 1.89 -1.35 -0.25 0.00 0.00 175.29 175.05 3lqi h PRO 1745N 7.69 0.76 -0.45 2.91 0.11 -1.94 -1.89 132.00 139.20 3lqi h PRO 1745Ca -0.23 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.72 3lqi h PRO 1745Cb 1.09 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 3lqi h PRO 1745CO 0.88 0.50 -0.16 1.05 -0.21 0.00 0.00 178.00 180.06 3lqi h GLU 1746N 0.78 0.90 0.00 1.05 9.09 -1.96 -2.38 114.58 122.06 3lqi h GLU 1746Ca 0.42 -0.37 -0.09 0.00 0.05 0.00 0.00 59.36 59.37 3lqi h GLU 1746Cb 0.53 -0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 27.58 3lqi h GLU 1746CO -0.18 1.02 -0.44 -0.84 0.05 0.00 0.00 179.01 178.61 3lqi h ILE 1747N 0.74 0.88 -0.08 -1.06 3.07 -1.82 -2.00 117.51 117.23 3lqi h ILE 1747Ca 0.11 -1.87 -0.06 0.00 1.55 0.00 0.00 64.86 64.59 3lqi h ILE 1747Cb 0.72 2.17 -0.01 0.00 -0.27 0.00 0.00 36.82 39.42 3lqi h ILE 1747CO 0.05 0.43 -0.21 0.11 -1.05 0.00 0.00 178.15 177.49 3lqi h LYS 1748N 0.00 0.14 -0.07 0.16 1.57 -1.17 0.16 116.57 117.36 3lqi h LYS 1748Ca -0.00 -0.04 -0.18 0.00 -1.87 0.00 0.00 60.65 58.56 3lqi h LYS 1748Cb 1.13 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.44 3lqi h LYS 1748CO 0.06 0.35 -0.64 -0.22 -0.57 0.00 0.00 179.45 178.42 3lqi h LYS 1749N 0.13 0.56 -0.53 3.15 3.64 -0.92 -1.23 116.57 121.37 3lqi h LYS 1749Ca 0.02 -0.51 -0.07 0.00 -1.27 0.00 0.00 60.65 58.82 3lqi h LYS 1749Cb 0.45 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 3lqi h LYS 1749CO 0.03 1.14 0.04 0.00 -2.27 0.00 0.00 179.45 178.38 3lqi h ALA 1750N 0.43 1.06 -0.39 5.00 0.00 -0.93 -1.08 119.26 123.36 3lqi h ALA 1750Ca -0.06 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.44 3lqi h ALA 1750Cb 1.31 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3lqi h ALA 1750CO 0.13 0.59 -0.34 -0.91 0.00 0.00 0.00 179.25 178.72 3lqi h ASN 1751N 0.82 0.95 -0.16 0.00 2.35 -0.68 -1.86 115.58 117.00 3lqi h ASN 1751Ca 0.16 -0.42 -0.09 0.00 -0.55 0.00 0.00 56.30 55.41 3lqi h ASN 1751Cb 0.44 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 3lqi h ASN 1751CO 0.02 1.20 -0.19 0.28 -1.65 0.00 0.00 177.43 177.09 3lqi h SER 1752N 0.75 0.57 -0.42 5.81 0.02 -0.97 -0.48 113.55 118.84 3lqi h SER 1752Ca 0.07 -0.18 -0.13 0.00 -0.84 0.00 0.00 61.79 60.71 3lqi h SER 1752Cb 0.92 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 3lqi h SER 1752CO 0.09 0.77 -0.25 0.24 -1.14 0.00 0.00 176.83 176.54 3lqi h MET 1753N 0.52 0.90 -0.49 3.45 2.86 -1.05 -1.86 114.93 119.26 3lqi h MET 1753Ca 0.08 -0.42 -0.11 0.00 -2.06 0.00 0.00 59.70 57.20 3lqi h MET 1753Cb 0.62 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 3lqi h MET 1753CO 0.04 1.07 -0.12 0.28 1.06 0.00 0.00 176.91 179.24 3lqi h VAL 1754N 0.73 1.27 -0.61 -2.22 2.07 -1.10 -0.66 116.25 115.73 3lqi h VAL 1754Ca 0.09 -1.26 -0.02 0.00 0.82 0.00 0.00 66.70 66.33 3lqi h VAL 1754Cb 0.82 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 3lqi h VAL 1754CO 0.07 0.44 0.32 0.50 0.02 0.00 0.00 177.57 178.91 3lqi h LYS 1755N 0.80 0.86 -0.59 1.57 3.64 -1.01 0.48 116.57 122.31 3lqi h LYS 1755Ca 0.12 -0.11 -0.09 0.00 -1.27 0.00 0.00 60.65 59.30 3lqi h LYS 1755Cb 0.68 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 3lqi h LYS 1755CO 0.05 0.67 0.02 0.77 -2.27 0.00 0.00 179.45 178.69 3lqi h SER 1756N 0.83 1.00 0.24 4.20 0.02 -1.21 -1.72 113.55 116.91 3lqi h SER 1756Ca 0.21 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 3lqi h SER 1756Cb 0.08 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.35 3lqi h SER 1756CO -0.03 1.06 -0.11 0.15 -1.14 0.00 0.00 176.83 176.75 3lqi h PHE 1757N 0.92 -0.30 -0.38 3.45 3.57 -0.70 -0.54 116.94 122.96 3lqi h PHE 1757Ca 0.17 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.73 3lqi h PHE 1757Cb 0.53 0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.31 3lqi h PHE 1757CO 0.04 -0.13 -0.01 0.35 -2.23 0.00 0.00 178.31 176.32 3lqi h PHE 1758N -0.39 -0.05 -0.65 0.41 3.57 -0.85 -0.63 116.94 118.34 3lqi h PHE 1758Ca -0.03 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 3lqi h PHE 1758Cb 0.30 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.09 3lqi h PHE 1758CO -0.04 -0.09 0.32 0.82 -2.23 0.00 0.00 178.31 177.10 3lqi h ILE 1759N 0.09 1.22 -0.39 1.41 2.04 -1.18 -0.98 117.51 119.72 3lqi h ILE 1759Ca 0.19 -0.60 0.01 0.00 1.00 0.00 0.00 64.86 65.45 3lqi h ILE 1759Cb 0.26 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 3lqi h ILE 1759CO -0.32 0.25 0.26 0.03 0.00 0.00 0.00 178.15 178.36 3lqi h ARG 1760N 0.90 0.51 -0.44 2.37 3.08 -0.43 -0.99 114.38 119.38 3lqi h ARG 1760Ca 0.23 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.21 3lqi h ARG 1760Cb 0.10 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 3lqi h ARG 1760CO -0.03 0.34 0.14 1.96 -1.07 0.00 0.00 179.97 181.31 3lqi h GLN 1761N 0.52 0.68 -0.41 0.04 1.08 -0.90 -1.62 115.11 114.51 3lqi h GLN 1761Ca 0.14 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 3lqi h GLN 1761Cb -0.05 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.26 3lqi h GLN 1761CO -0.04 0.65 0.27 0.52 -0.95 0.00 0.00 178.83 179.29 3lqi h MET 1762N 0.56 0.53 0.00 1.46 2.86 -0.95 -1.30 114.93 118.09 3lqi h MET 1762Ca 0.14 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.67 3lqi h MET 1762Cb 0.26 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 3lqi h MET 1762CO -0.01 0.35 -0.39 0.93 1.06 0.00 0.00 176.91 178.86 3lqi h GLU 1763N 0.55 0.00 -0.13 1.72 5.08 -1.09 0.48 114.58 121.19 3lqi h GLU 1763Ca 0.15 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.41 3lqi h GLU 1763Cb -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3lqi h GLU 1763CO -0.03 0.39 -0.31 -0.09 -1.00 0.00 0.00 179.01 177.97 3lqi h ARG 1764N 0.00 0.43 0.15 2.33 2.43 -0.89 -2.07 114.38 116.76 3lqi h ARG 1764Ca -0.00 -0.30 -0.29 0.00 -0.81 0.00 0.00 59.98 58.58 3lqi h ARG 1764Cb 0.81 0.04 0.01 0.00 -0.42 0.00 0.00 29.97 30.41 3lqi h ARG 1764CO 0.05 0.91 -1.32 0.28 -1.51 0.00 0.00 179.97 178.38 3lqi h VAL 1765N 0.03 1.42 -2.18 0.20 2.07 -1.16 -3.38 116.25 113.25 3lqi h VAL 1765Ca -0.00 -2.98 -0.59 0.00 0.82 0.00 0.00 66.70 63.95 3lqi h VAL 1765Cb 0.91 2.94 -0.41 0.00 -1.52 0.00 0.00 31.29 33.21 3lqi h VAL 1765CO 0.07 0.87 -0.73 0.49 0.02 0.00 0.00 177.57 178.29 3lqi n PHE 1766N -3.55 2.54 0.30 1.57 3.72 0.17 -4.94 117.46 117.27 3lqi n PHE 1766Ca -0.11 -4.00 0.16 0.00 -0.05 0.00 0.00 57.45 53.45 3lqi n PHE 1766Cb 1.04 -0.50 0.93 0.00 -0.94 0.00 0.00 39.48 40.02 3lqi n PHE 1766CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3lqi h PRO 1767N 4.20 0.00 0.00 -1.08 0.13 -1.54 -1.95 132.00 131.76 3lqi h PRO 1767Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3lqi h PRO 1767Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 3lqi h PRO 1767CO 0.73 0.02 -0.24 -2.67 -0.23 0.00 0.00 178.00 175.60 3lqi n TRP 1768N -3.72 0.29 -3.93 1.56 4.27 -1.26 -4.86 117.44 109.78 3lqi n TRP 1768Ca -0.03 0.08 -0.36 0.00 -3.89 0.00 0.00 57.50 53.31 3lqi n TRP 1768Cb 0.10 -0.55 -0.07 0.00 -1.36 0.00 0.00 31.31 29.42 3lqi n TRP 1768CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 3lqi s PHE 1769N -3.05 3.44 -0.47 -2.67 5.36 -0.73 -5.08 117.98 114.78 3lqi s PHE 1769Ca 0.11 0.37 -0.17 0.00 -0.96 0.00 0.00 56.93 56.28 3lqi s PHE 1769Cb 0.16 -1.99 0.06 0.00 -0.34 0.00 0.00 43.02 40.91 3lqi s PHE 1769CO 0.62 0.51 0.48 0.45 -1.46 0.00 0.00 175.22 175.82 3lqi s SER 1770N -0.48 6.18 0.13 6.13 0.15 -1.26 -4.82 113.70 119.73 3lqi s SER 1770Ca 0.11 -1.06 0.01 0.00 0.70 0.00 0.00 55.95 55.71 3lqi s SER 1770Cb -0.12 -2.23 -0.12 0.00 -1.71 0.00 0.00 66.02 61.84 3lqi s SER 1770CO 0.02 -0.72 1.29 0.58 1.20 0.00 0.00 173.24 175.61 3lqi h VAL 1771N 5.78 1.52 -0.07 4.45 2.07 -1.95 -3.23 116.25 124.82 3lqi h VAL 1771Ca -0.28 -2.86 0.02 0.00 0.82 0.00 0.00 66.70 64.41 3lqi h VAL 1771Cb 1.11 2.66 -0.00 0.00 -1.52 0.00 0.00 31.29 33.53 3lqi h VAL 1771CO 0.89 0.83 0.06 0.11 0.02 0.00 0.00 177.57 179.48 3lqi h LYS 1772N 0.09 0.00 -0.09 1.57 1.57 -1.98 -1.59 116.57 116.15 3lqi h LYS 1772Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3lqi h LYS 1772Cb 1.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.00 3lqi h LYS 1772CO 0.16 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.67 3lqi n LYS 1773N -4.30 1.32 -1.67 3.15 5.02 -1.22 -4.92 118.16 115.55 3lqi n LYS 1773Ca -0.01 -0.49 -0.44 0.00 -2.02 0.00 0.00 58.31 55.34 3lqi n LYS 1773Cb 0.17 -1.28 -0.02 0.00 -0.02 0.00 0.00 35.03 33.87 3lqi n LYS 1773CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3lqi n SER 1774N -0.25 2.58 0.08 4.39 2.88 -0.60 -4.82 113.62 117.89 3lqi n SER 1774Ca 0.12 1.16 0.10 0.00 -1.33 0.00 0.00 58.87 58.92 3lqi n SER 1774Cb 0.17 -1.42 0.41 0.00 -0.75 0.00 0.00 64.21 62.62 3lqi n SER 1774CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3lqi n ARG 1775N 1.64 0.11 -0.16 -1.46 1.74 -1.26 -3.01 116.66 114.26 3lqi n ARG 1775Ca 0.10 0.38 0.12 0.00 -0.77 0.00 0.00 57.85 57.68 3lqi n ARG 1775Cb 0.32 -1.73 0.25 0.00 -1.02 0.00 0.00 32.46 30.27 3lqi n ARG 1775CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3lqi n PHE 1776N -1.95 0.42 -2.42 -1.55 3.01 -1.26 -4.90 117.46 108.82 3lqi n PHE 1776Ca 0.02 -0.21 -0.28 0.00 1.01 0.00 0.00 57.45 57.99 3lqi n PHE 1776Cb 0.18 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.67 3lqi n PHE 1776CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 3lqi s TRP 1777N -1.58 3.43 -0.02 1.38 0.23 -1.16 -4.68 118.94 116.54 3lqi s TRP 1777Ca 0.37 0.80 0.04 0.00 -2.03 0.00 0.00 56.10 55.28 3lqi s TRP 1777Cb 0.21 -2.56 -0.01 0.00 0.03 0.00 0.00 33.47 31.14 3lqi s TRP 1777CO 0.30 -0.59 -0.14 -1.21 0.96 0.00 0.00 176.95 176.27 3lqi s GLU 1778N -4.92 1.28 0.00 4.98 2.02 -1.26 -5.06 118.70 115.74 3lqi s GLU 1778Ca 0.51 -0.51 0.16 0.00 0.02 0.00 0.00 54.97 55.16 3lqi s GLU 1778Cb -0.10 -1.20 0.98 0.00 0.10 0.00 0.00 34.13 33.90 3lqi s GLU 1778CO 0.46 0.27 1.38 -0.35 0.02 0.00 0.00 175.26 177.05