#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3goy s GLN 1533N 0.00 3.28 -0.02 -1.58 2.00 -1.26 -4.96 119.66 117.12 3goy s GLN 1533Ca 0.00 -2.49 -0.03 0.00 -2.00 0.00 0.00 55.36 50.84 3goy s GLN 1533Cb 0.00 -4.21 -0.13 0.00 0.80 0.00 0.00 33.01 29.48 3goy s GLN 1533CO 0.00 -1.25 2.81 1.04 -0.50 0.00 0.00 175.29 177.39 3goy n GLN 1534N 3.81 1.53 -0.57 1.67 6.02 -1.26 -4.88 117.38 123.69 3goy n GLN 1534Ca 0.12 -0.57 -0.30 0.00 -0.01 0.00 0.00 57.00 56.24 3goy n GLN 1534Cb 0.44 -1.52 0.22 0.00 1.02 0.00 0.00 30.24 30.39 3goy n GLN 1534CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3goy n ASN 1535N 1.95 -1.79 -3.52 1.08 3.02 -1.26 -4.69 115.26 110.05 3goy n ASN 1535Ca 0.23 -0.07 -0.08 0.00 -0.03 0.00 0.00 54.58 54.62 3goy n ASN 1535Cb 0.71 -1.18 -0.02 0.00 -0.61 0.00 0.00 39.78 38.68 3goy n ASN 1535CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 3goy s PHE 1536N -2.37 -0.35 0.07 3.10 -0.12 -1.26 -4.46 117.98 112.59 3goy s PHE 1536Ca 0.64 0.18 0.05 0.00 -0.05 0.00 0.00 56.93 57.75 3goy s PHE 1536Cb -0.21 0.55 -0.03 0.00 -0.63 0.00 0.00 43.02 42.71 3goy s PHE 1536CO 0.65 -0.62 -0.14 0.00 -0.05 0.00 0.00 175.22 175.06 3goy s VAL 1538N -1.23 2.92 -0.24 0.00 1.01 -1.26 -2.05 120.40 119.56 3goy s VAL 1538Ca -0.02 -1.31 -0.09 0.00 0.00 0.00 0.00 61.98 60.56 3goy s VAL 1538Cb -0.10 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 3goy s VAL 1538CO 0.02 -0.03 0.12 -0.69 0.00 0.00 0.00 175.10 174.52 3goy s VAL 1539N 1.26 4.94 -0.06 2.92 1.01 -0.78 -4.97 120.40 124.71 3goy s VAL 1539Ca -0.04 0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.67 3goy s VAL 1539Cb -0.19 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 3goy s VAL 1539CO -0.02 0.35 1.02 -0.70 0.00 0.00 0.00 175.10 175.76 3goy s GLU 1540N 1.17 4.46 0.26 2.72 2.12 -1.26 -0.77 118.70 127.39 3goy s GLU 1540Ca 0.06 1.44 -0.30 0.00 0.36 0.00 0.00 54.97 56.53 3goy s GLU 1540Cb -0.14 -3.51 -0.09 0.00 0.26 0.00 0.00 34.13 30.64 3goy s GLU 1540CO 0.05 -0.25 1.03 -0.51 -0.54 0.00 0.00 175.26 175.04 3goy s LEU 1541N 1.70 4.59 -0.19 2.70 1.43 0.53 -4.94 118.68 124.51 3goy s LEU 1541Ca 0.50 2.13 -0.23 0.00 -1.03 0.00 0.00 54.13 55.50 3goy s LEU 1541Cb -0.20 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.38 3goy s LEU 1541CO 0.22 -0.01 0.76 -0.22 0.23 0.00 0.00 176.35 177.32 3goy s LEU 1542N -1.31 4.15 0.19 1.79 2.96 -1.26 -4.69 118.68 120.51 3goy s LEU 1542Ca 0.43 1.03 -0.33 0.00 -0.22 0.00 0.00 54.13 55.04 3goy s LEU 1542Cb -0.29 -3.10 -0.14 0.00 0.50 0.00 0.00 46.19 43.15 3goy s LEU 1542CO 0.37 -0.37 1.41 -2.65 -1.32 0.00 0.00 176.35 173.79 3goy n PRO 1543N 5.27 1.83 -1.14 0.98 -0.02 -1.26 -2.11 135.00 138.56 3goy n PRO 1543Ca 0.02 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3goy n PRO 1543Cb 0.49 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 3goy n PRO 1543CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3goy n SER 1544N 2.54 -0.88 -4.22 2.55 7.64 -1.26 -5.11 113.62 114.88 3goy n SER 1544Ca 0.14 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.82 3goy n SER 1544Cb 0.28 -0.23 -0.12 0.00 -1.01 0.00 0.00 64.21 63.13 3goy n SER 1544CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3goy s ASP 1545N -2.47 2.01 0.07 6.43 1.11 -0.90 -5.06 116.67 117.88 3goy s ASP 1545Ca 0.00 -0.65 -0.36 0.00 0.18 0.00 0.00 52.55 51.72 3goy s ASP 1545Cb 0.00 -0.08 -0.19 0.00 1.07 0.00 0.00 42.92 43.72 3goy s ASP 1545CO 0.00 -0.02 1.57 1.55 1.18 0.00 0.00 175.17 179.45 3goy h PRO 1546N 4.20 -1.10 -0.97 8.23 0.13 -1.99 0.44 132.00 140.93 3goy h PRO 1546Ca -0.43 0.08 0.19 0.00 -0.87 0.00 0.00 66.00 64.97 3goy h PRO 1546Cb 1.19 0.25 -0.09 0.00 0.13 0.00 0.00 31.00 32.48 3goy h PRO 1546CO 0.40 -0.74 0.61 1.49 -0.23 0.00 0.00 178.00 179.54 3goy h GLU 1547N -1.15 0.61 0.27 0.86 4.81 -1.97 -1.41 114.58 116.60 3goy h GLU 1547Ca -0.10 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 3goy h GLU 1547Cb 0.93 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.17 3goy h GLU 1547CO 0.08 0.40 -0.13 -0.92 -0.73 0.00 0.00 179.01 177.71 3goy h TYR 1548N 0.63 -0.34 -0.94 0.92 3.20 -1.78 -3.00 116.97 115.65 3goy h TYR 1548Ca 0.53 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.49 3goy h TYR 1548Cb 1.01 0.11 -0.07 0.00 1.54 0.00 0.00 36.73 39.32 3goy h TYR 1548CO -0.00 0.02 0.60 -0.97 -1.64 0.00 0.00 178.16 176.17 3goy h ASN 1549N -0.82 0.89 0.27 -2.11 -1.24 -0.41 -0.31 115.58 111.84 3goy h ASN 1549Ca -0.04 0.02 -0.00 0.00 0.71 0.00 0.00 56.30 56.99 3goy h ASN 1549Cb 0.51 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 39.39 3goy h ASN 1549CO 0.06 0.53 -0.24 0.74 -1.29 0.00 0.00 177.43 177.23 3goy h THR 1550N 0.98 0.50 0.13 -3.57 2.02 -1.29 0.49 112.91 112.16 3goy h THR 1550Ca 0.43 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.60 3goy h THR 1550Cb 0.35 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 3goy h THR 1550CO -0.19 0.00 -0.06 0.58 0.37 0.00 0.00 175.52 176.22 3goy h VAL 1551N -0.52 0.92 -0.83 3.16 2.07 -1.32 -2.73 116.25 116.99 3goy h VAL 1551Ca -0.01 -0.16 0.17 0.00 0.82 0.00 0.00 66.70 67.52 3goy h VAL 1551Cb 0.47 1.02 -0.11 0.00 -1.52 0.00 0.00 31.29 31.16 3goy h VAL 1551CO -0.03 0.04 0.37 0.00 0.02 0.00 0.00 177.57 177.97 3goy h ALA 1552N 0.62 1.25 -1.28 1.67 0.00 -0.84 -0.63 119.26 120.05 3goy h ALA 1552Ca -0.02 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3goy h ALA 1552Cb 0.20 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3goy h ALA 1552CO 0.03 -0.22 0.00 0.43 0.00 0.00 0.00 179.25 179.49 3goy n SER 1553N -4.98 0.00 -0.34 0.00 7.64 0.17 -0.23 113.62 115.88 3goy n SER 1553Ca 0.18 0.79 0.19 0.00 1.01 0.00 0.00 58.87 61.03 3goy n SER 1553Cb 0.50 -0.29 0.42 0.00 -1.01 0.00 0.00 64.21 63.83 3goy n SER 1553CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 3goy h LYS 1554N 0.00 0.52 0.67 1.43 1.57 -1.14 0.11 116.57 119.72 3goy h LYS 1554Ca 0.00 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 3goy h LYS 1554Cb 0.00 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.20 3goy h LYS 1554CO 0.00 0.34 -0.32 0.35 -0.57 0.00 0.00 179.45 179.25 3goy h PHE 1555N 0.53 -0.83 0.00 -1.35 3.57 -1.01 -2.94 116.94 114.91 3goy h PHE 1555Ca 0.63 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 62.11 3goy h PHE 1555Cb 1.30 0.28 0.00 0.00 2.79 0.00 0.00 35.95 40.32 3goy h PHE 1555CO -0.01 -0.52 0.14 0.09 -2.23 0.00 0.00 178.31 175.79 3goy n ASN 1556N -4.90 0.02 0.21 0.41 4.13 0.68 -1.82 115.26 113.99 3goy n ASN 1556Ca -0.11 0.38 0.15 0.00 1.68 0.00 0.00 54.58 56.67 3goy n ASN 1556Cb 0.35 -0.38 0.66 0.00 -1.54 0.00 0.00 39.78 38.88 3goy n ASN 1556CO 0.00 0.00 0.00 -0.61 0.28 0.00 0.00 177.26 176.93 3goy h GLN 1557N 0.00 0.00 0.00 3.52 4.15 -0.98 -2.73 115.11 119.07 3goy h GLN 1557Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3goy h GLN 1557Cb 0.28 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.97 3goy h GLN 1557CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 178.83 177.15 3goy n THR 1558N -2.60 0.00 -2.12 2.39 -2.24 -0.86 -4.89 114.28 103.97 3goy n THR 1558Ca 0.00 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 3goy n THR 1558Cb 0.20 0.82 0.03 0.00 -2.10 0.00 0.00 70.33 69.28 3goy n THR 1558CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3goy h SER 1560N 2.17 0.21 0.00 0.00 4.64 -1.70 -2.56 113.55 116.30 3goy h SER 1560Ca 0.28 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3goy h SER 1560Cb 1.48 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 3goy h SER 1560CO 0.64 0.59 0.00 0.00 -0.87 0.00 0.00 176.83 177.18 3goy n HIS 1561N -4.05 0.00 -4.87 4.77 1.44 -1.26 -4.71 115.22 106.55 3goy n HIS 1561Ca -0.01 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.40 3goy n HIS 1561Cb 0.46 -0.04 -0.15 0.00 0.12 0.00 0.00 29.99 30.38 3goy n HIS 1561CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 3goy s PHE 1562N -1.24 2.28 -0.37 -1.40 0.08 -0.97 -4.69 117.98 111.67 3goy s PHE 1562Ca 0.00 -0.41 -0.15 0.00 0.12 0.00 0.00 56.93 56.49 3goy s PHE 1562Cb 0.00 -1.36 -0.00 0.00 -0.57 0.00 0.00 43.02 41.09 3goy s PHE 1562CO 0.00 0.13 0.36 -0.98 -0.10 0.00 0.00 175.22 174.63 3goy s ARG 1563N -1.27 3.38 -0.67 0.44 1.70 -1.26 -4.81 118.95 116.46 3goy s ARG 1563Ca 0.11 -0.58 -0.26 0.00 -0.47 0.00 0.00 55.73 54.54 3goy s ARG 1563Cb -0.10 -3.86 0.04 0.00 -0.57 0.00 0.00 34.95 30.46 3goy s ARG 1563CO 0.02 -0.62 1.15 0.42 -1.08 0.00 0.00 175.30 175.19 3goy s ILE 1564N 1.99 4.00 0.03 4.99 1.01 -1.26 0.52 121.20 132.48 3goy s ILE 1564Ca 0.11 0.27 -0.27 0.00 0.00 0.00 0.00 60.65 60.76 3goy s ILE 1564Cb -0.17 -4.78 -0.15 0.00 0.01 0.00 0.00 42.46 37.37 3goy s ILE 1564CO 0.12 -1.59 1.27 -0.33 0.00 0.00 0.00 174.94 174.41 3goy h GLU 1565N 9.75 -0.94 -4.05 2.79 5.08 -0.86 -3.47 114.58 122.88 3goy h GLU 1565Ca -0.28 0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.03 3goy h GLU 1565Cb 1.06 0.21 -0.16 0.00 0.50 0.00 0.00 28.75 30.37 3goy h GLU 1565CO 1.22 -0.63 -0.59 -1.59 -1.00 0.00 0.00 179.01 176.42 3goy s LYS 1566N -4.92 0.63 -0.06 2.33 -2.85 -0.74 -5.01 119.74 109.11 3goy s LYS 1566Ca -0.14 -1.03 0.01 0.00 -1.00 0.00 0.00 55.97 53.81 3goy s LYS 1566Cb 0.01 0.23 0.02 0.00 -2.06 0.00 0.00 37.83 36.04 3goy s LYS 1566CO 0.43 -0.14 -0.07 0.42 0.10 0.00 0.00 175.35 176.09 3goy s ILE 1567N -3.48 0.74 -0.05 3.79 1.01 -1.26 -0.10 121.20 121.85 3goy s ILE 1567Ca 0.03 -0.22 0.03 0.00 0.00 0.00 0.00 60.65 60.48 3goy s ILE 1567Cb 0.04 -0.74 0.01 0.00 0.01 0.00 0.00 42.46 41.78 3goy s ILE 1567CO -0.09 0.28 -0.13 -1.61 0.00 0.00 0.00 174.94 173.39 3goy s GLU 1568N 0.98 1.59 0.12 2.79 2.02 0.02 -0.35 118.70 125.88 3goy s GLU 1568Ca -0.10 -0.46 -0.26 0.00 0.02 0.00 0.00 54.97 54.18 3goy s GLU 1568Cb -0.14 -1.36 -0.07 0.00 0.10 0.00 0.00 34.13 32.65 3goy s GLU 1568CO 0.00 0.12 0.79 0.50 0.02 0.00 0.00 175.26 176.69 3goy s ARG 1569N 0.35 4.55 -0.24 1.61 3.52 0.05 0.44 118.95 129.23 3goy s ARG 1569Ca -0.09 1.15 -0.09 0.00 -0.13 0.00 0.00 55.73 56.57 3goy s ARG 1569Cb -0.13 -3.31 -0.04 0.00 -1.56 0.00 0.00 34.95 29.91 3goy s ARG 1569CO 0.03 0.44 0.11 0.42 -0.81 0.00 0.00 175.30 175.48 3goy s ILE 1570N -0.65 4.81 -0.58 4.11 1.01 0.26 -1.87 121.20 128.29 3goy s ILE 1570Ca 0.38 -0.01 -0.03 0.00 0.00 0.00 0.00 60.65 60.99 3goy s ILE 1570Cb -0.22 -3.24 0.15 0.00 0.01 0.00 0.00 42.46 39.15 3goy s ILE 1570CO 0.25 0.34 0.39 -1.10 0.00 0.00 0.00 174.94 174.82 3goy s GLN 1571N 1.34 2.44 -0.44 2.79 -0.21 -0.87 -4.72 119.66 119.98 3goy s GLN 1571Ca 0.06 -2.40 0.03 0.00 0.02 0.00 0.00 55.36 53.07 3goy s GLN 1571Cb -0.15 -3.69 0.12 0.00 1.00 0.00 0.00 33.01 30.30 3goy s GLN 1571CO 0.05 -1.15 0.20 1.21 -2.12 0.00 0.00 175.29 173.48 3goy s ASN 1572N 0.87 4.21 0.61 5.90 3.84 -1.26 -2.35 114.94 126.75 3goy s ASN 1572Ca 0.15 -2.61 0.30 0.00 0.21 0.00 0.00 52.86 50.91 3goy s ASN 1572Cb -0.21 -1.41 1.64 0.00 -0.55 0.00 0.00 41.25 40.72 3goy s ASN 1572CO -0.03 -0.29 1.91 -0.65 -2.79 0.00 0.00 177.10 175.25 3goy h PRO 1573N 6.93 0.00 0.13 0.43 0.11 -1.93 -0.68 132.00 136.99 3goy h PRO 1573Ca -0.06 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.74 3goy h PRO 1573Cb 0.94 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 3goy h PRO 1573CO 0.58 0.00 -1.57 -0.44 -0.21 0.00 0.00 178.00 176.37 3goy h ASP 1574N 0.00 0.44 -0.35 -2.05 3.32 -1.90 -2.94 116.42 112.94 3goy h ASP 1574Ca 0.00 -0.62 -0.17 0.00 0.02 0.00 0.00 57.03 56.27 3goy h ASP 1574Cb 0.49 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 3goy h ASP 1574CO 0.00 1.51 -0.43 -0.07 -1.72 0.00 0.00 179.24 178.54 3goy h LEU 1575N 0.08 0.99 -0.92 1.55 3.38 -1.54 -2.03 115.31 116.82 3goy h LEU 1575Ca -0.26 -0.47 0.01 0.00 0.09 0.00 0.00 57.88 57.25 3goy h LEU 1575Cb 2.04 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 42.46 3goy h LEU 1575CO 0.17 1.27 0.61 -0.25 0.09 0.00 0.00 178.44 180.33 3goy h TRP 1576N 0.74 1.16 0.15 1.13 2.91 -1.29 -0.12 115.95 120.63 3goy h TRP 1576Ca 0.05 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.09 3goy h TRP 1576Cb 1.02 -0.39 0.00 0.00 -0.51 0.00 0.00 29.16 29.28 3goy h TRP 1576CO 0.06 0.72 -0.07 -0.91 -1.03 0.00 0.00 178.44 177.21 3goy h ASN 1577N 1.24 -0.18 -0.59 2.65 2.35 -1.47 0.34 115.58 119.92 3goy h ASN 1577Ca 0.34 -0.32 0.07 0.00 -0.55 0.00 0.00 56.30 55.84 3goy h ASN 1577Cb -0.13 0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.25 3goy h ASN 1577CO -0.08 0.27 0.39 0.28 -1.65 0.00 0.00 177.43 176.64 3goy h SER 1578N -0.66 0.44 -0.12 5.81 0.02 -1.30 0.04 113.55 117.78 3goy h SER 1578Ca -0.02 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.83 3goy h SER 1578Cb 0.49 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.94 3goy h SER 1578CO 0.03 0.28 -0.31 0.22 -1.14 0.00 0.00 176.83 175.92 3goy h TYR 1579N 0.50 0.54 -0.47 3.45 3.20 -0.96 -2.88 116.97 120.34 3goy h TYR 1579Ca 0.26 -0.21 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 3goy h TYR 1579Cb 0.38 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 3goy h TYR 1579CO -0.00 0.93 0.09 1.96 -1.64 0.00 0.00 178.16 179.50 3goy h GLN 1580N 0.01 0.77 -0.34 1.82 1.08 -0.12 -1.06 115.11 117.27 3goy h GLN 1580Ca -0.00 -0.20 0.07 0.00 -1.45 0.00 0.00 58.65 57.07 3goy h GLN 1580Cb 0.92 -0.10 -0.07 0.00 -0.05 0.00 0.00 27.48 28.19 3goy h GLN 1580CO 0.07 0.77 -0.10 0.00 -0.95 0.00 0.00 178.83 178.62 3goy h ALA 1581N 0.97 0.20 -0.82 3.87 0.00 -1.13 -0.40 119.26 121.95 3goy h ALA 1581Ca 0.15 0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.30 3goy h ALA 1581Cb 0.36 0.28 -0.08 0.00 0.00 0.00 0.00 17.79 18.35 3goy h ALA 1581CO 0.01 -0.47 0.45 -0.22 0.00 0.00 0.00 179.25 179.01 3goy h LYS 1582N -0.02 0.69 -0.24 0.00 1.63 -1.17 -2.49 116.57 114.96 3goy h LYS 1582Ca 0.17 -0.04 -0.06 0.00 -0.85 0.00 0.00 60.65 59.86 3goy h LYS 1582Cb 0.27 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.74 3goy h LYS 1582CO -0.36 0.45 -0.10 -0.22 -3.45 0.00 0.00 179.45 175.77 3goy h LYS 1583N 0.71 0.49 -0.75 1.90 3.64 -0.41 -2.47 116.57 119.68 3goy h LYS 1583Ca 0.42 -0.21 0.08 0.00 -1.27 0.00 0.00 60.65 59.67 3goy h LYS 1583Cb 0.47 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.21 3goy h LYS 1583CO -0.29 0.75 0.42 0.87 -2.27 0.00 0.00 179.45 178.93 3goy h LYS 1584N 0.22 0.71 0.00 1.90 1.57 -0.73 0.63 116.57 120.87 3goy h LYS 1584Ca 0.06 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3goy h LYS 1584Cb 0.59 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 3goy h LYS 1584CO 0.03 0.47 -0.04 1.79 -0.57 0.00 0.00 179.45 181.13 3goy h THR 1585N 0.73 0.09 0.20 -0.16 1.35 -1.39 -1.76 112.91 111.97 3goy h THR 1585Ca 0.35 -0.91 -0.33 0.00 -0.55 0.00 0.00 66.41 64.97 3goy h THR 1585Cb 0.29 1.84 0.02 0.00 -1.73 0.00 0.00 68.15 68.57 3goy h THR 1585CO -0.22 0.04 -1.53 -0.03 -0.25 0.00 0.00 175.52 173.53 3goy h MET 1586N 0.00 0.42 0.00 4.72 -1.53 -0.81 -2.84 114.93 114.89 3goy h MET 1586Ca -0.00 -0.72 0.00 0.00 -3.44 0.00 0.00 59.70 55.54 3goy h MET 1586Cb 0.84 0.27 0.00 0.00 -0.55 0.00 0.00 31.60 32.16 3goy h MET 1586CO 0.01 1.33 0.04 -0.44 0.14 0.00 0.00 176.91 177.98 3goy h ASP 1587N 0.11 0.00 0.17 1.39 3.32 0.65 0.64 116.42 122.70 3goy h ASP 1587Ca -0.26 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.45 3goy h ASP 1587Cb 2.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.66 3goy h ASP 1587CO 0.22 0.00 -1.74 0.00 -1.72 0.00 0.00 179.24 176.01 3goy h ALA 1588N 1.92 0.20 0.08 3.45 0.00 -1.33 -3.42 119.26 120.17 3goy h ALA 1588Ca 0.00 -1.17 -0.21 0.00 0.00 0.00 0.00 54.91 53.52 3goy h ALA 1588Cb 0.07 0.51 0.02 0.00 0.00 0.00 0.00 17.79 18.39 3goy h ALA 1588CO 0.00 1.04 -0.87 -0.22 0.00 0.00 0.00 179.25 179.19 3goy h LYS 1589N 0.03 0.45 -1.26 0.00 3.64 -0.70 -3.37 116.57 115.36 3goy h LYS 1589Ca -0.35 -0.59 -0.58 0.00 -1.27 0.00 0.00 60.65 57.86 3goy h LYS 1589Cb 2.03 0.19 -0.24 0.00 -0.41 0.00 0.00 32.23 33.80 3goy h LYS 1589CO 0.14 1.24 0.75 0.09 -2.27 0.00 0.00 179.45 179.39 3goy n ASN 1590N -4.05 7.31 0.00 4.20 3.02 -0.26 -5.02 115.26 120.46 3goy n ASN 1590Ca -0.12 -3.57 0.00 0.00 -0.03 0.00 0.00 54.58 50.86 3goy n ASN 1590Cb 0.82 -1.02 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 3goy n ASN 1590CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3goy n GLY 1591N -0.47 1.52 0.00 7.41 0.00 -1.26 -0.59 105.19 111.81 3goy n GLY 1591Ca 0.53 0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.65 3goy n GLY 1591CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3goy n GLN 1592N 8.67 0.03 -1.61 1.61 -0.00 -1.26 -4.89 117.38 119.93 3goy n GLN 1592Ca 0.00 0.30 -0.40 0.00 -0.00 0.00 0.00 57.00 56.90 3goy n GLN 1592Cb 0.00 -1.50 0.03 0.00 -0.00 0.00 0.00 30.24 28.77 3goy n GLN 1592CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 3goy n THR 1593N -1.46 2.85 -3.06 -0.39 -1.04 0.25 -4.94 114.28 106.48 3goy n THR 1593Ca 0.03 -0.50 -0.45 0.00 -2.04 0.00 0.00 64.05 61.09 3goy n THR 1593Cb 0.11 -1.15 -0.03 0.00 -1.82 0.00 0.00 70.33 67.45 3goy n THR 1593CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 3goy s MET 1594N -2.28 3.49 0.25 -2.82 -1.94 -1.26 -4.91 119.30 109.83 3goy s MET 1594Ca 0.68 -1.84 0.01 0.00 -1.71 0.00 0.00 55.69 52.83 3goy s MET 1594Cb -0.50 -4.65 0.29 0.00 2.01 0.00 0.00 34.83 31.99 3goy s MET 1594CO 0.53 -1.61 1.63 -0.91 -0.01 0.00 0.00 175.02 174.66 3goy h ASN 1595N 8.64 0.49 -3.25 3.03 2.35 -1.92 -3.39 115.58 121.53 3goy h ASN 1595Ca 0.05 -0.21 -0.57 0.00 -0.55 0.00 0.00 56.30 55.02 3goy h ASN 1595Cb 1.04 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 39.22 3goy h ASN 1595CO 1.01 0.84 -0.04 -0.70 -1.65 0.00 0.00 177.43 176.89 3goy s GLU 1596N -4.23 4.23 0.09 0.81 2.12 -1.26 -0.04 118.70 120.41 3goy s GLU 1596Ca -0.07 0.71 0.03 0.00 0.36 0.00 0.00 54.97 56.01 3goy s GLU 1596Cb 0.13 -3.28 -0.03 0.00 0.26 0.00 0.00 34.13 31.20 3goy s GLU 1596CO 0.81 0.52 -0.09 0.15 -0.54 0.00 0.00 175.26 176.11 3goy s LYS 1597N -0.70 0.80 -0.40 4.30 1.02 0.10 -4.88 119.74 119.98 3goy s LYS 1597Ca 0.29 -1.12 -0.09 0.00 0.02 0.00 0.00 55.97 55.07 3goy s LYS 1597Cb -0.19 -0.46 0.07 0.00 -0.52 0.00 0.00 37.83 36.72 3goy s LYS 1597CO 0.18 0.07 0.24 -0.65 -0.92 0.00 0.00 175.35 174.26 3goy s GLN 1598N -2.73 2.64 0.29 1.68 -0.21 -1.26 -0.18 119.66 119.90 3goy s GLN 1598Ca 0.04 -1.37 0.10 0.00 0.02 0.00 0.00 55.36 54.15 3goy s GLN 1598Cb -0.03 -3.74 -0.05 0.00 1.00 0.00 0.00 33.01 30.19 3goy s GLN 1598CO -0.01 -0.88 -0.04 -0.51 -2.12 0.00 0.00 175.29 171.73 3goy s LEU 1599N 1.44 3.01 0.04 2.90 1.43 0.61 -4.81 118.68 123.31 3goy s LEU 1599Ca 0.02 -0.83 -0.04 0.00 -1.03 0.00 0.00 54.13 52.25 3goy s LEU 1599Cb -0.22 -1.48 -0.05 0.00 0.03 0.00 0.00 46.19 44.47 3goy s LEU 1599CO 0.03 -0.07 0.27 -0.36 0.23 0.00 0.00 176.35 176.45 3goy s PHE 1600N -2.42 3.54 -0.06 0.29 0.08 -0.22 0.82 117.98 120.02 3goy s PHE 1600Ca 0.32 0.48 -0.02 0.00 0.12 0.00 0.00 56.93 57.83 3goy s PHE 1600Cb -0.04 -1.93 0.04 0.00 -0.57 0.00 0.00 43.02 40.52 3goy s PHE 1600CO 0.19 0.58 0.13 -1.58 -0.10 0.00 0.00 175.22 174.43 3goy s HIS 1601N -1.41 -0.13 -0.14 0.36 5.65 -0.39 -0.57 115.29 118.66 3goy s HIS 1601Ca 0.32 0.45 -0.02 0.00 0.25 0.00 0.00 55.06 56.06 3goy s HIS 1601Cb -0.13 -0.16 -0.02 0.00 -1.18 0.00 0.00 32.58 31.09 3goy s HIS 1601CO 0.20 -0.18 -0.08 0.20 -0.65 0.00 0.00 174.74 174.23 3goy s GLY 1602N 1.44 1.63 0.29 1.59 0.00 -1.26 -0.69 107.32 110.32 3goy s GLY 1602Ca -0.06 -0.86 0.04 0.00 0.00 0.00 0.00 44.72 43.84 3goy s GLY 1602CO -0.05 -0.17 0.14 -1.30 0.00 0.00 0.00 173.10 171.72 3goy n THR 1603N 3.43 0.00 -1.88 0.90 -2.24 -1.21 -3.74 114.28 109.55 3goy n THR 1603Ca -0.18 -1.79 -0.31 0.00 -2.27 0.00 0.00 64.05 59.50 3goy n THR 1603Cb 0.53 0.73 0.02 0.00 -2.10 0.00 0.00 70.33 69.50 3goy n THR 1603CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3goy s ASP 1604N -2.83 6.02 0.36 3.42 1.47 -1.21 -3.83 116.67 120.07 3goy s ASP 1604Ca 0.20 1.34 0.05 0.00 1.18 0.00 0.00 52.55 55.32 3goy s ASP 1604Cb 0.01 -2.32 0.72 0.00 -0.34 0.00 0.00 42.92 40.99 3goy s ASP 1604CO 0.14 -1.00 1.99 0.00 0.68 0.00 0.00 175.17 176.98 3goy h ALA 1605N -0.41 1.66 0.00 2.11 0.00 -1.94 -1.69 119.26 118.99 3goy h ALA 1605Ca -0.44 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 3goy h ALA 1605Cb 1.21 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 3goy h ALA 1605CO 0.62 0.26 -0.06 0.78 0.00 0.00 0.00 179.25 180.86 3goy h GLY 1606N 0.77 0.00 1.85 0.00 0.00 -1.98 -2.02 103.07 101.69 3goy h GLY 1606Ca 0.27 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.50 3goy h GLY 1606CO -0.08 0.00 -0.59 1.76 0.00 0.00 0.00 176.54 177.63 3goy h SER 1607N 0.00 0.00 -0.06 0.19 0.02 -1.68 -3.39 113.55 108.63 3goy h SER 1607Ca -0.00 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.99 3goy h SER 1607Cb 0.15 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.63 3goy h SER 1607CO 0.01 0.46 -0.37 0.58 -1.14 0.00 0.00 176.83 176.37 3goy h VAL 1608N 0.00 0.23 -0.42 2.27 2.07 -1.36 -0.55 116.25 118.49 3goy h VAL 1608Ca -0.02 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.58 3goy h VAL 1608Cb 1.37 0.23 -0.08 0.00 -1.52 0.00 0.00 31.29 31.29 3goy h VAL 1608CO 0.06 0.00 -0.09 -0.65 0.02 0.00 0.00 177.57 176.91 3goy h PRO 1609N -0.48 0.01 -0.82 1.57 0.11 -1.75 0.13 132.00 130.77 3goy h PRO 1609Ca 0.07 -0.00 0.13 0.00 0.11 0.00 0.00 66.00 66.31 3goy h PRO 1609Cb 0.60 -0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.62 3goy h PRO 1609CO -0.33 0.01 0.42 1.25 -0.21 0.00 0.00 178.00 179.14 3goy h HIS 1610N 0.01 0.74 -0.39 0.65 -0.00 -1.63 -2.21 115.15 112.32 3goy h HIS 1610Ca 0.20 0.03 -0.10 0.00 -0.00 0.00 0.00 60.37 60.51 3goy h HIS 1610Cb 0.31 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.50 3goy h HIS 1610CO -0.36 0.20 -0.13 0.28 -0.00 0.00 0.00 177.93 177.93 3goy h VAL 1611N 0.63 1.28 -0.55 5.26 2.07 0.76 1.30 116.25 127.00 3goy h VAL 1611Ca 0.43 -1.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 3goy h VAL 1611Cb 0.57 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 3goy h VAL 1611CO -0.34 0.41 0.26 0.78 0.02 0.00 0.00 177.57 178.70 3goy h ASN 1612N 0.58 0.72 0.45 0.57 -0.26 -0.76 0.39 115.58 117.27 3goy h ASN 1612Ca 0.09 -0.13 -0.02 0.00 -0.56 0.00 0.00 56.30 55.68 3goy h ASN 1612Cb 0.66 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.74 3goy h ASN 1612CO 0.05 0.66 -0.21 -0.09 -1.06 0.00 0.00 177.43 176.77 3goy h ARG 1613N 0.74 -0.58 0.00 0.81 9.65 -1.28 -3.42 114.38 120.30 3goy h ARG 1613Ca 0.19 0.04 -0.28 0.00 -1.10 0.00 0.00 59.98 58.83 3goy h ARG 1613Cb 0.13 0.13 -0.05 0.00 -1.39 0.00 0.00 29.97 28.79 3goy h ARG 1613CO -0.02 -0.31 -2.27 0.09 2.80 0.00 0.00 179.97 180.26 3goy n ASN 1614N -5.19 0.11 -3.24 -3.80 3.02 0.44 -4.87 115.26 101.74 3goy n ASN 1614Ca -0.09 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.35 3goy n ASN 1614Cb 0.27 1.22 0.04 0.00 -0.61 0.00 0.00 39.78 40.70 3goy n ASN 1614CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3goy n GLY 1615N 1.66 -1.19 2.37 7.41 0.00 0.13 -4.21 105.19 111.37 3goy n GLY 1615Ca -0.26 0.53 -0.08 0.00 0.00 0.00 0.00 46.02 46.22 3goy n GLY 1615CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3goy n PHE 1616N -2.70 -1.23 -2.05 1.61 3.72 -1.26 -4.80 117.46 110.74 3goy n PHE 1616Ca -0.05 0.43 -0.30 0.00 -0.05 0.00 0.00 57.45 57.48 3goy n PHE 1616Cb 0.57 -3.33 0.01 0.00 -0.94 0.00 0.00 39.48 35.79 3goy n PHE 1616CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 3goy s ASN 1617N -3.22 6.19 -0.06 4.37 -0.87 -1.26 -4.68 114.94 115.40 3goy s ASN 1617Ca 0.22 1.28 -0.36 0.00 -1.57 0.00 0.00 52.86 52.43 3goy s ASN 1617Cb -0.03 -2.38 -0.14 0.00 -0.02 0.00 0.00 41.25 38.68 3goy s ASN 1617CO 0.37 -0.83 1.69 0.54 -2.57 0.00 0.00 177.10 176.30 3goy n ARG 1618N -2.65 1.72 0.09 -0.60 3.00 -1.26 -5.08 116.66 111.88 3goy n ARG 1618Ca 0.05 0.63 0.00 0.00 -0.01 0.00 0.00 57.85 58.51 3goy n ARG 1618Cb 0.54 -2.38 0.00 0.00 0.00 0.00 0.00 32.46 30.63 3goy n ARG 1618CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3goy n ALA 1627N 4.93 0.00 0.01 7.54 0.00 -1.26 -5.20 120.51 126.53 3goy n ALA 1627Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 3goy n ALA 1627Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.68 3goy n ALA 1627CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3goy n TYR 1628N -0.99 0.00 0.00 0.00 4.01 -1.26 -2.68 117.16 116.25 3goy n TYR 1628Ca 0.00 -0.09 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 3goy n TYR 1628Cb 0.32 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.35 3goy n TYR 1628CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3goy n GLY 1629N -0.08 0.91 3.09 2.72 0.00 -1.13 -2.82 105.19 107.89 3goy n GLY 1629Ca 0.00 -2.03 -0.36 0.00 0.00 0.00 0.00 46.02 43.64 3goy n GLY 1629CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3goy s LYS 1630N -1.22 3.07 0.00 1.61 -2.85 -0.49 -4.95 119.74 114.90 3goy s LYS 1630Ca 0.00 -3.10 0.00 0.00 -1.00 0.00 0.00 55.97 51.87 3goy s LYS 1630Cb 0.00 -3.88 0.00 0.00 -2.06 0.00 0.00 37.83 31.89 3goy s LYS 1630CO 0.00 -1.25 0.00 0.41 0.10 0.00 0.00 175.35 174.61 3goy n GLY 1631N 2.60 4.56 3.78 0.59 0.00 -1.26 -4.78 105.19 110.67 3goy n GLY 1631Ca 0.18 -1.02 -0.36 0.00 0.00 0.00 0.00 46.02 44.82 3goy n GLY 1631CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3goy s THR 1632N -0.61 5.42 -0.23 2.61 2.01 -0.44 -4.90 115.64 119.49 3goy s THR 1632Ca 0.00 0.26 -0.16 0.00 0.31 0.00 0.00 61.69 62.10 3goy s THR 1632Cb 0.00 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.00 3goy s THR 1632CO 0.00 0.50 0.40 -0.31 -0.69 0.00 0.00 174.62 174.52 3goy s TYR 1633N -0.14 3.32 -0.06 4.92 2.02 -1.26 -1.54 117.35 124.61 3goy s TYR 1633Ca 0.12 0.56 0.03 0.00 -0.37 0.00 0.00 57.07 57.41 3goy s TYR 1633Cb -0.12 -2.56 -0.02 0.00 -0.40 0.00 0.00 41.96 38.86 3goy s TYR 1633CO 0.01 -0.10 -0.14 -0.06 -1.57 0.00 0.00 175.55 173.68 3goy s PHE 1634N 1.65 2.71 -0.08 2.71 0.08 0.14 -4.81 117.98 120.37 3goy s PHE 1634Ca 0.18 -0.22 -0.10 0.00 0.12 0.00 0.00 56.93 56.92 3goy s PHE 1634Cb -0.15 -1.65 -0.05 0.00 -0.57 0.00 0.00 43.02 40.60 3goy s PHE 1634CO 0.09 0.14 0.23 0.00 -0.10 0.00 0.00 175.22 175.57 3goy s ALA 1635N -0.60 3.82 0.34 5.36 0.00 0.27 -0.10 121.76 130.84 3goy s ALA 1635Ca 0.09 -0.50 0.06 0.00 0.00 0.00 0.00 51.96 51.60 3goy s ALA 1635Cb -0.11 -2.11 0.60 0.00 0.00 0.00 0.00 23.12 21.50 3goy s ALA 1635CO 0.01 0.56 1.83 0.28 0.00 0.00 0.00 175.76 178.45 3goy h VAL 1636N 3.91 1.22 -4.24 0.00 2.07 -1.50 -0.55 116.25 117.15 3goy h VAL 1636Ca -0.54 -0.98 -0.69 0.00 0.82 0.00 0.00 66.70 65.31 3goy h VAL 1636Cb 1.22 1.21 -0.26 0.00 -1.52 0.00 0.00 31.29 31.94 3goy h VAL 1636CO 0.60 0.31 -0.82 0.20 0.02 0.00 0.00 177.57 177.88 3goy s ASN 1637N -6.82 3.59 0.54 0.57 0.01 -1.26 -4.75 114.94 106.82 3goy s ASN 1637Ca -0.06 -0.32 0.28 0.00 -0.71 0.00 0.00 52.86 52.04 3goy s ASN 1637Cb 0.15 -0.66 1.44 0.00 0.41 0.00 0.00 41.25 42.58 3goy s ASN 1637CO 0.76 0.33 1.95 0.00 -1.51 0.00 0.00 177.10 178.63 3goy h ALA 1638N 5.47 2.58 -0.00 0.60 0.00 -1.85 -2.66 119.26 123.40 3goy h ALA 1638Ca -0.44 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.30 3goy h ALA 1638Cb 1.14 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3goy h ALA 1638CO 0.49 -0.81 -0.71 -2.95 0.00 0.00 0.00 179.25 175.27 3goy h ASN 1639N 0.00 0.02 -0.73 0.00 7.08 -1.90 -2.45 115.58 117.60 3goy h ASN 1639Ca 0.30 -0.01 0.08 0.00 -3.08 0.00 0.00 56.30 53.59 3goy h ASN 1639Cb 1.25 -0.01 -0.07 0.00 -2.08 0.00 0.00 38.32 37.42 3goy h ASN 1639CO -0.00 0.72 0.39 1.88 -2.08 0.00 0.00 177.43 178.34 3goy h TYR 1640N 0.01 0.71 0.00 4.14 0.05 -1.89 -2.21 116.97 117.78 3goy h TYR 1640Ca -0.01 0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.71 3goy h TYR 1640Cb 1.26 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 38.77 3goy h TYR 1640CO 0.00 0.30 -0.42 0.77 -1.05 0.00 0.00 178.16 177.76 3goy h SER 1641N 0.69 0.00 0.86 3.88 0.02 -1.59 -3.20 113.55 114.21 3goy h SER 1641Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 3goy h SER 1641Cb 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 3goy h SER 1641CO -0.23 0.42 0.00 0.00 -1.14 0.00 0.00 176.83 175.88 3goy n ALA 1642N -2.35 1.76 -1.62 3.77 0.00 -0.83 -3.51 120.51 117.72 3goy n ALA 1642Ca -0.01 0.08 -0.43 0.00 0.00 0.00 0.00 53.44 53.07 3goy n ALA 1642Cb 0.50 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.54 3goy n ALA 1642CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3goy n ASN 1643N -2.29 1.63 -0.14 0.00 3.02 -1.21 -4.70 115.26 111.57 3goy n ASN 1643Ca 0.03 1.16 0.15 0.00 -0.03 0.00 0.00 54.58 55.89 3goy n ASN 1643Cb 0.26 -1.34 0.80 0.00 -0.61 0.00 0.00 39.78 38.89 3goy n ASN 1643CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3goy n ASP 1644N 1.00 0.44 0.17 6.41 9.92 -1.26 -1.30 116.55 131.93 3goy n ASP 1644Ca 0.08 -1.18 0.05 0.00 -0.53 0.00 0.00 54.79 53.22 3goy n ASP 1644Cb 0.34 -0.00 0.12 0.00 -0.64 0.00 0.00 41.12 40.94 3goy n ASP 1644CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 3goy h THR 1645N 0.67 0.68 0.00 -3.53 1.35 -1.93 -3.25 112.91 106.91 3goy h THR 1645Ca 0.00 -1.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.02 3goy h THR 1645Cb 0.14 2.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 3goy h THR 1645CO 0.00 0.37 -0.38 -1.22 -0.25 0.00 0.00 175.52 174.04 3goy n TYR 1646N -3.24 0.00 -2.25 4.73 4.01 -0.72 -4.71 117.16 114.98 3goy n TYR 1646Ca 0.02 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.33 3goy n TYR 1646Cb 0.65 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 39.49 3goy n TYR 1646CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3goy n SER 1647N -3.32 4.78 -4.50 7.72 3.41 -0.42 -3.29 113.62 117.99 3goy n SER 1647Ca -0.05 -3.02 -0.46 0.00 -0.26 0.00 0.00 58.87 55.08 3goy n SER 1647Cb 0.20 -1.55 -0.02 0.00 -0.26 0.00 0.00 64.21 62.58 3goy n SER 1647CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3goy n ARG 1648N 4.83 0.74 -2.91 4.33 1.74 -1.23 -4.50 116.66 119.66 3goy n ARG 1648Ca 0.43 0.26 -0.40 0.00 -0.77 0.00 0.00 57.85 57.37 3goy n ARG 1648Cb 0.38 -1.46 -0.05 0.00 -1.02 0.00 0.00 32.46 30.31 3goy n ARG 1648CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 3goy s PRO 1649N -1.31 4.59 0.37 5.56 0.02 -1.26 -4.53 135.00 138.44 3goy s PRO 1649Ca 0.61 1.20 -0.03 0.00 0.02 0.00 0.00 61.00 62.80 3goy s PRO 1649Cb -0.80 -3.33 0.08 0.00 0.02 0.00 0.00 34.50 30.47 3goy s PRO 1649CO 0.58 0.38 0.51 -0.40 -0.33 0.00 0.00 177.00 177.74 3goy n ASP 1650N 2.31 0.37 -0.14 2.53 5.75 -1.07 -4.83 116.55 121.47 3goy n ASP 1650Ca -0.03 -1.39 0.25 0.00 -0.01 0.00 0.00 54.79 53.62 3goy n ASP 1650Cb 0.49 -0.36 0.69 0.00 -1.03 0.00 0.00 41.12 40.92 3goy n ASP 1650CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3goy h ALA 1651N -1.10 2.69 0.00 2.12 0.00 -1.99 0.32 119.26 121.29 3goy h ALA 1651Ca -0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3goy h ALA 1651Cb 0.54 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3goy h ALA 1651CO 0.15 -0.92 0.00 0.09 0.00 0.00 0.00 179.25 178.57 3goy n ASN 1652N -4.32 0.00 -0.12 0.00 3.02 -1.26 -4.86 115.26 107.72 3goy n ASN 1652Ca 0.16 0.08 -0.02 0.00 -0.03 0.00 0.00 54.58 54.78 3goy n ASN 1652Cb 0.84 -0.36 -0.01 0.00 -0.61 0.00 0.00 39.78 39.64 3goy n ASN 1652CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3goy n GLY 1653N 1.32 0.37 3.74 7.41 0.00 0.11 -4.98 105.19 113.16 3goy n GLY 1653Ca 0.12 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 3goy n GLY 1653CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3goy s ARG 1654N -1.33 4.74 0.23 1.61 3.00 -1.26 -4.60 118.95 121.34 3goy s ARG 1654Ca 0.00 1.58 0.08 0.00 0.00 0.00 0.00 55.73 57.39 3goy s ARG 1654Cb 0.00 -3.29 -0.05 0.00 0.00 0.00 0.00 34.95 31.61 3goy s ARG 1654CO 0.00 0.32 -0.14 0.15 0.00 0.00 0.00 175.30 175.63 3goy s LYS 1655N -0.80 1.44 -0.07 3.54 1.02 0.10 -2.61 119.74 122.36 3goy s LYS 1655Ca 0.44 -1.67 0.00 0.00 0.02 0.00 0.00 55.97 54.77 3goy s LYS 1655Cb -0.27 -1.26 0.02 0.00 -0.52 0.00 0.00 37.83 35.80 3goy s LYS 1655CO 0.34 0.18 -0.06 -1.01 -0.92 0.00 0.00 175.35 173.88 3goy s HIS 1656N -2.89 1.04 -0.05 3.18 3.76 -1.26 -1.33 115.29 117.74 3goy s HIS 1656Ca 0.25 -0.39 -0.00 0.00 -0.15 0.00 0.00 55.06 54.77 3goy s HIS 1656Cb -0.01 -0.91 0.03 0.00 1.11 0.00 0.00 32.58 32.80 3goy s HIS 1656CO 0.09 -0.32 -0.02 0.08 -0.85 0.00 0.00 174.74 173.73 3goy s VAL 1657N 1.33 0.39 0.27 -0.90 1.01 -0.00 -3.30 120.40 119.20 3goy s VAL 1657Ca -0.04 0.03 -0.25 0.00 0.00 0.00 0.00 61.98 61.72 3goy s VAL 1657Cb -0.14 -0.48 -0.09 0.00 0.00 0.00 0.00 36.38 35.67 3goy s VAL 1657CO -0.03 0.22 0.88 -0.31 0.00 0.00 0.00 175.10 175.86 3goy s TYR 1658N 1.38 3.75 -0.35 5.22 2.02 0.13 0.31 117.35 129.81 3goy s TYR 1658Ca -0.04 1.70 -0.07 0.00 -0.37 0.00 0.00 57.07 58.29 3goy s TYR 1658Cb -0.13 -2.85 0.04 0.00 -0.40 0.00 0.00 41.96 38.62 3goy s TYR 1658CO -0.02 0.30 0.13 -0.47 -1.57 0.00 0.00 175.55 173.92 3goy s TYR 1659N -1.49 3.27 0.05 2.71 5.04 0.81 -1.26 117.35 126.49 3goy s TYR 1659Ca 0.46 -1.43 0.06 0.00 -2.44 0.00 0.00 57.07 53.72 3goy s TYR 1659Cb -0.20 -2.39 -0.04 0.00 0.35 0.00 0.00 41.96 39.68 3goy s TYR 1659CO 0.25 -0.74 -0.11 0.08 -1.34 0.00 0.00 175.55 173.68 3goy s VAL 1660N 1.41 3.33 -0.34 3.14 1.01 0.24 -2.65 120.40 126.53 3goy s VAL 1660Ca -0.01 -1.07 -0.19 0.00 0.00 0.00 0.00 61.98 60.72 3goy s VAL 1660Cb -0.20 -2.48 -0.00 0.00 0.00 0.00 0.00 36.38 33.70 3goy s VAL 1660CO 0.03 0.27 0.58 -0.13 0.00 0.00 0.00 175.10 175.85 3goy s ARG 1661N -1.73 3.70 -0.10 2.72 0.52 -0.76 -0.28 118.95 123.02 3goy s ARG 1661Ca 0.18 0.00 0.04 0.00 -0.52 0.00 0.00 55.73 55.43 3goy s ARG 1661Cb -0.11 -3.79 -0.00 0.00 0.52 0.00 0.00 34.95 31.56 3goy s ARG 1661CO 0.09 -0.66 -0.23 0.08 0.02 0.00 0.00 175.30 174.60 3goy s VAL 1662N 2.55 2.17 -1.28 3.52 1.01 0.75 -1.13 120.40 127.98 3goy s VAL 1662Ca 0.22 -0.99 -0.14 0.00 0.00 0.00 0.00 61.98 61.07 3goy s VAL 1662Cb -0.15 -1.83 0.12 0.00 0.00 0.00 0.00 36.38 34.52 3goy s VAL 1662CO 0.14 0.56 1.71 0.18 0.00 0.00 0.00 175.10 177.69 3goy n LEU 1663N 3.42 5.61 0.03 3.92 4.77 -0.20 0.02 117.00 134.58 3goy n LEU 1663Ca -0.19 -4.29 -0.11 0.00 -0.03 0.00 0.00 56.01 51.39 3goy n LEU 1663Cb 0.53 -1.64 -0.06 0.00 -2.33 0.00 0.00 43.42 39.92 3goy n LEU 1663CO 0.28 0.72 0.86 0.71 -1.33 0.00 0.00 177.39 178.63 3goy h THR 1664N 4.67 0.94 0.00 -5.08 1.35 -0.78 -3.44 112.91 110.58 3goy h THR 1664Ca 0.41 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.27 3goy h THR 1664Cb 0.80 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 3goy h THR 1664CO 1.47 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 177.35 3goy n GLY 1665N -1.12 2.75 3.64 5.82 0.00 -0.46 -3.58 105.19 112.25 3goy n GLY 1665Ca -0.06 -0.35 -0.39 0.00 0.00 0.00 0.00 46.02 45.21 3goy n GLY 1665CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3goy s ILE 1666N 0.00 5.10 0.24 -0.61 1.01 -1.26 -4.79 121.20 120.90 3goy s ILE 1666Ca 0.00 0.88 0.06 0.00 0.00 0.00 0.00 60.65 61.59 3goy s ILE 1666Cb 0.00 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.60 3goy s ILE 1666CO 0.00 0.14 -0.07 -0.72 0.00 0.00 0.00 174.94 174.29 3goy s TYR 1667N 1.95 1.78 0.31 3.97 -0.85 -1.26 -1.49 117.35 121.75 3goy s TYR 1667Ca 0.22 -0.71 -0.04 0.00 -0.52 0.00 0.00 57.07 56.01 3goy s TYR 1667Cb -0.15 -0.97 -0.00 0.00 0.38 0.00 0.00 41.96 41.22 3goy s TYR 1667CO 0.09 0.23 0.44 -0.08 -1.52 0.00 0.00 175.55 174.71 3goy s THR 1668N -3.10 0.00 0.09 -3.49 -1.32 -1.23 -4.96 115.64 101.63 3goy s THR 1668Ca 0.27 -1.60 -0.31 0.00 -1.21 0.00 0.00 61.69 58.84 3goy s THR 1668Cb 0.03 -2.54 -0.07 0.00 -1.51 0.00 0.00 72.50 68.41 3goy s THR 1668CO 0.09 0.00 1.35 -1.00 -2.21 0.00 0.00 174.62 172.85 3goy s HIS 1669N -3.35 3.23 0.22 9.09 3.76 -1.26 -0.51 115.29 126.47 3goy s HIS 1669Ca 0.30 1.01 0.06 0.00 -0.15 0.00 0.00 55.06 56.27 3goy s HIS 1669Cb 0.00 -3.63 -0.04 0.00 1.11 0.00 0.00 32.58 30.03 3goy s HIS 1669CO 0.17 -2.16 0.22 0.20 -0.85 0.00 0.00 174.74 172.31 3goy s GLY 1670N 1.19 1.48 0.21 -2.22 0.00 -1.04 -4.86 107.32 102.08 3goy s GLY 1670Ca 0.63 -1.30 0.03 0.00 0.00 0.00 0.00 44.72 44.08 3goy s GLY 1670CO 0.30 -1.32 -0.01 0.54 0.00 0.00 0.00 173.10 172.61 3goy s ASN 1671N -3.62 1.60 0.66 1.64 4.22 -1.13 -4.61 114.94 113.70 3goy s ASN 1671Ca 0.33 -1.19 0.40 0.00 -2.14 0.00 0.00 52.86 50.25 3goy s ASN 1671Cb -0.09 0.05 2.19 0.00 1.28 0.00 0.00 41.25 44.68 3goy s ASN 1671CO 0.26 -0.52 2.26 1.12 -2.04 0.00 0.00 177.10 178.18 3goy h HIS 1672N 2.57 0.00 -0.38 1.54 2.07 -1.68 -2.89 115.15 116.38 3goy h HIS 1672Ca -0.38 0.00 -0.24 0.00 -2.85 0.00 0.00 60.37 56.91 3goy h HIS 1672Cb 1.21 0.00 -0.11 0.00 2.57 0.00 0.00 27.41 31.08 3goy h HIS 1672CO 0.56 0.00 0.30 -1.13 -3.07 0.00 0.00 177.93 174.60 3goy n SER 1673N -3.17 5.11 -4.09 3.10 3.41 -1.26 -4.29 113.62 112.42 3goy n SER 1673Ca -0.02 -2.81 -0.33 0.00 -0.26 0.00 0.00 58.87 55.45 3goy n SER 1673Cb 0.15 -0.90 -0.15 0.00 -0.26 0.00 0.00 64.21 63.05 3goy n SER 1673CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3goy s LEU 1674N -1.39 3.70 0.05 1.04 1.43 -1.11 -4.88 118.68 117.53 3goy s LEU 1674Ca 0.24 -1.45 0.13 0.00 -1.03 0.00 0.00 54.13 52.02 3goy s LEU 1674Cb 0.19 -1.60 -0.17 0.00 0.03 0.00 0.00 46.19 44.64 3goy s LEU 1674CO 0.01 -0.23 0.90 0.40 0.23 0.00 0.00 176.35 177.67 3goy h ILE 1675N 6.68 0.91 -4.57 -0.59 2.04 -1.88 -1.30 117.51 118.79 3goy h ILE 1675Ca -0.18 -2.58 -0.35 0.00 1.00 0.00 0.00 64.86 62.74 3goy h ILE 1675Cb 1.04 2.39 -0.14 0.00 -0.74 0.00 0.00 36.82 39.37 3goy h ILE 1675CO 0.49 0.52 -0.56 0.68 0.00 0.00 0.00 178.15 179.27 3goy s VAL 1676N -2.75 0.07 0.46 1.67 -7.23 -1.26 -4.90 120.40 106.46 3goy s VAL 1676Ca -0.02 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 57.93 3goy s VAL 1676Cb 0.09 -2.50 -0.08 0.00 0.56 0.00 0.00 36.38 34.44 3goy s VAL 1676CO 0.81 0.00 1.10 -2.84 -0.31 0.00 0.00 175.10 173.86 3goy s PRO 1677N -3.85 3.81 0.74 4.82 0.02 -1.26 -5.02 135.00 134.27 3goy s PRO 1677Ca 0.39 1.59 -0.15 0.00 0.02 0.00 0.00 61.00 62.84 3goy s PRO 1677Cb 0.05 -2.31 0.04 0.00 0.02 0.00 0.00 34.50 32.30 3goy s PRO 1677CO 0.18 -0.46 1.22 -2.30 -0.33 0.00 0.00 177.00 175.31 3goy n PRO 1678N -0.61 0.55 -2.02 5.54 -0.02 -1.26 -4.61 135.00 132.56 3goy n PRO 1678Ca 0.08 0.26 -0.35 0.00 -2.02 0.00 0.00 63.50 61.47 3goy n PRO 1678Cb 0.50 -2.46 0.03 0.00 -0.02 0.00 0.00 33.50 31.55 3goy n PRO 1678CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3goy s SER 1679N -1.81 5.36 0.30 2.55 1.04 -1.26 -2.18 113.70 117.70 3goy s SER 1679Ca 0.77 2.17 0.16 0.00 0.48 0.00 0.00 55.95 59.53 3goy s SER 1679Cb -0.33 -2.58 0.23 0.00 0.10 0.00 0.00 66.02 63.45 3goy s SER 1679CO 0.47 -1.47 1.52 0.11 0.98 0.00 0.00 173.24 174.85 3goy h LYS 1680N 0.71 0.00 -3.51 4.02 1.57 -1.64 -3.45 116.57 114.27 3goy h LYS 1680Ca -0.49 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.18 3goy h LYS 1680Cb 1.27 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.40 3goy h LYS 1680CO 0.55 0.48 -0.39 0.54 -0.57 0.00 0.00 179.45 180.06 3goy s ASN 1681N -6.45 0.01 0.43 0.86 4.22 -1.26 -5.05 114.94 107.69 3goy s ASN 1681Ca 0.03 -0.32 0.27 0.00 -2.14 0.00 0.00 52.86 50.70 3goy s ASN 1681Cb 0.08 0.29 0.83 0.00 1.28 0.00 0.00 41.25 43.73 3goy s ASN 1681CO 0.73 -0.54 1.77 -0.65 -2.04 0.00 0.00 177.10 176.37 3goy h PRO 1682N 3.54 0.00 0.19 3.55 0.11 -1.98 -3.26 132.00 134.14 3goy h PRO 1682Ca -0.32 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 3goy h PRO 1682Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3goy h PRO 1682CO 0.47 0.00 -0.09 1.96 -0.21 0.00 0.00 178.00 180.13 3goy h GLN 1683N 0.00 -0.24 -3.21 1.05 1.08 -2.00 -3.36 115.11 108.42 3goy h GLN 1683Ca 0.00 0.02 -0.66 0.00 -1.45 0.00 0.00 58.65 56.56 3goy h GLN 1683Cb 0.73 0.06 -0.39 0.00 -0.05 0.00 0.00 27.48 27.83 3goy h GLN 1683CO 0.00 0.15 -0.35 0.54 -0.95 0.00 0.00 178.83 178.21 3goy s ASN 1684N -5.41 5.35 0.00 1.46 4.22 -1.26 -4.95 114.94 114.36 3goy s ASN 1684Ca -0.12 -3.76 0.00 0.00 -2.14 0.00 0.00 52.86 46.84 3goy s ASN 1684Cb 0.01 -1.76 0.00 0.00 1.28 0.00 0.00 41.25 40.77 3goy s ASN 1684CO 0.44 -0.14 0.13 -2.65 -2.04 0.00 0.00 177.10 172.85 3goy n PRO 1685N 2.19 0.00 0.08 3.55 -0.02 -1.23 -2.89 135.00 136.68 3goy n PRO 1685Ca 0.20 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.46 3goy n PRO 1685Cb 0.36 -1.14 -0.15 0.00 -0.02 0.00 0.00 33.50 32.55 3goy n PRO 1685CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3goy h THR 1686N 0.00 1.44 -3.50 3.45 1.35 -1.92 -3.42 112.91 110.31 3goy h THR 1686Ca 0.00 -2.59 -0.59 0.00 -0.55 0.00 0.00 66.41 62.68 3goy h THR 1686Cb 0.00 3.15 -0.10 0.00 -1.73 0.00 0.00 68.15 69.47 3goy h THR 1686CO 0.00 0.75 0.70 -0.62 -0.25 0.00 0.00 175.52 176.10 3goy s ASP 1687N -7.19 6.48 0.46 5.36 2.15 -1.14 -5.00 116.67 117.79 3goy s ASP 1687Ca -0.12 0.06 0.03 0.00 0.43 0.00 0.00 52.55 52.95 3goy s ASP 1687Cb 0.02 -2.48 0.07 0.00 -0.30 0.00 0.00 42.92 40.23 3goy s ASP 1687CO 0.87 -1.19 0.51 0.18 -0.17 0.00 0.00 175.17 175.38 3goy n LEU 1688N 7.54 0.00 -4.93 -1.34 4.77 -1.26 -1.90 117.00 119.88 3goy n LEU 1688Ca 0.06 -1.30 -0.28 0.00 -0.03 0.00 0.00 56.01 54.46 3goy n LEU 1688Cb 0.48 -0.31 0.12 0.00 -2.33 0.00 0.00 43.42 41.39 3goy n LEU 1688CO 0.66 -0.70 0.76 -0.31 -1.33 0.00 0.00 177.39 176.47 3goy s TYR 1689N -1.36 2.28 -0.11 -1.77 2.02 -0.93 -4.63 117.35 112.85 3goy s TYR 1689Ca 0.36 0.40 0.16 0.00 -0.37 0.00 0.00 57.07 57.62 3goy s TYR 1689Cb -0.02 -3.61 -0.23 0.00 -0.40 0.00 0.00 41.96 37.70 3goy s TYR 1689CO 0.24 -2.01 0.46 -0.25 -1.57 0.00 0.00 175.55 172.41 3goy n ASP 1690N -3.34 0.50 -2.82 2.29 8.00 -0.56 -4.77 116.55 115.85 3goy n ASP 1690Ca 0.11 0.23 -0.07 0.00 0.71 0.00 0.00 54.79 55.78 3goy n ASP 1690Cb 0.60 0.49 0.03 0.00 -0.02 0.00 0.00 41.12 42.22 3goy n ASP 1690CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 3goy n THR 1691N -2.86 0.00 -4.06 -3.53 5.66 -1.23 -4.68 114.28 103.58 3goy n THR 1691Ca -0.21 -0.81 -0.13 0.00 -3.05 0.00 0.00 64.05 59.85 3goy n THR 1691Cb 1.03 0.87 -0.12 0.00 -1.55 0.00 0.00 70.33 70.56 3goy n THR 1691CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 3goy s VAL 1692N -2.14 0.50 0.40 1.08 -7.23 -1.07 -3.55 120.40 108.39 3goy s VAL 1692Ca 0.17 -1.02 0.03 0.00 -1.81 0.00 0.00 61.98 59.35 3goy s VAL 1692Cb -0.04 -0.57 -0.04 0.00 0.56 0.00 0.00 36.38 36.30 3goy s VAL 1692CO 0.09 -0.37 0.08 0.28 -0.31 0.00 0.00 175.10 174.88 3goy s THR 1693N -1.32 0.91 -0.46 5.32 -1.32 0.33 -0.35 115.64 118.74 3goy s THR 1693Ca -0.10 -2.00 0.23 0.00 -1.21 0.00 0.00 61.69 58.62 3goy s THR 1693Cb -0.10 -2.48 0.28 0.00 -1.51 0.00 0.00 72.50 68.69 3goy s THR 1693CO 0.00 0.00 1.55 -2.24 -2.21 0.00 0.00 174.62 171.72 3goy h ASP 1694N 1.82 0.00 -0.37 8.08 2.03 -1.85 -2.75 116.42 123.38 3goy h ASP 1694Ca -0.39 -0.01 0.23 0.00 -0.73 0.00 0.00 57.03 56.13 3goy h ASP 1694Cb 1.27 0.00 -0.21 0.00 -0.83 0.00 0.00 39.33 39.56 3goy h ASP 1694CO 0.64 0.00 0.09 0.21 -1.03 0.00 0.00 179.24 179.16 3goy s ASN 1695N -5.78 -0.52 0.35 4.15 3.84 -1.26 -4.93 114.94 110.79 3goy s ASN 1695Ca 0.07 0.30 0.05 0.00 0.21 0.00 0.00 52.86 53.48 3goy s ASN 1695Cb 0.07 1.43 0.64 0.00 -0.55 0.00 0.00 41.25 42.83 3goy s ASN 1695CO 0.68 -0.10 1.91 -0.37 -2.79 0.00 0.00 177.10 176.43 3goy h VAL 1696N 5.31 1.18 -0.00 -5.21 -1.51 -1.90 0.57 116.25 114.69 3goy h VAL 1696Ca -0.14 -0.67 0.00 0.00 -1.23 0.00 0.00 66.70 64.66 3goy h VAL 1696Cb 1.17 0.84 0.00 0.00 -2.13 0.00 0.00 31.29 31.17 3goy h VAL 1696CO -0.07 0.24 -0.24 1.41 -1.23 0.00 0.00 177.57 177.68 3goy n HIS 1697N -4.32 0.00 -2.71 5.19 8.25 -1.26 -4.43 115.22 115.95 3goy n HIS 1697Ca 0.02 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.41 3goy n HIS 1697Cb 0.21 -0.26 0.10 0.00 1.12 0.00 0.00 29.99 31.15 3goy n HIS 1697CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 3goy n HIS 1698N -1.21 -2.11 -1.80 4.41 -0.00 -0.98 -5.16 115.22 108.37 3goy n HIS 1698Ca 0.10 -1.69 -0.34 0.00 -0.00 0.00 0.00 57.72 55.78 3goy n HIS 1698Cb 0.32 1.49 0.05 0.00 -0.00 0.00 0.00 29.99 31.85 3goy n HIS 1698CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 3goy s PRO 1699N 0.20 2.74 0.00 1.57 0.02 0.16 -4.79 135.00 134.89 3goy s PRO 1699Ca 0.21 1.63 0.00 0.00 0.02 0.00 0.00 61.00 62.87 3goy s PRO 1699Cb 0.29 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.89 3goy s PRO 1699CO -0.10 -1.34 0.18 -1.13 -0.33 0.00 0.00 177.00 174.28 3goy n SER 1700N -2.13 0.36 -3.60 2.53 3.41 -1.26 -4.91 113.62 108.02 3goy n SER 1700Ca 0.12 -0.71 -0.16 0.00 -0.26 0.00 0.00 58.87 57.86 3goy n SER 1700Cb 0.51 0.25 -0.07 0.00 -0.26 0.00 0.00 64.21 64.64 3goy n SER 1700CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 3goy s LEU 1701N -0.50 -0.27 0.09 1.04 0.05 -1.26 -1.28 118.68 116.55 3goy s LEU 1701Ca 0.00 0.67 0.08 0.00 0.05 0.00 0.00 54.13 54.93 3goy s LEU 1701Cb 0.00 2.18 -0.03 0.00 -2.05 0.00 0.00 46.19 46.29 3goy s LEU 1701CO 0.00 -0.51 -0.20 -0.36 -0.55 0.00 0.00 176.35 174.73 3goy s PHE 1702N -0.96 1.76 -0.21 3.48 0.08 0.86 -3.54 117.98 119.45 3goy s PHE 1702Ca -0.10 -0.41 0.01 0.00 0.12 0.00 0.00 56.93 56.55 3goy s PHE 1702Cb -0.02 -0.98 0.05 0.00 -0.57 0.00 0.00 43.02 41.50 3goy s PHE 1702CO 0.07 0.18 -0.10 0.08 -0.10 0.00 0.00 175.22 175.35 3goy s VAL 1703N -1.09 1.73 0.17 -0.44 1.01 0.52 0.25 120.40 122.55 3goy s VAL 1703Ca 0.06 -1.13 -0.05 0.00 0.00 0.00 0.00 61.98 60.86 3goy s VAL 1703Cb -0.10 -1.82 -0.06 0.00 0.00 0.00 0.00 36.38 34.40 3goy s VAL 1703CO 0.04 0.12 0.42 0.00 0.00 0.00 0.00 175.10 175.68 3goy s ALA 1704N 1.35 3.74 0.00 5.51 0.00 -0.59 -2.59 121.76 129.17 3goy s ALA 1704Ca -0.03 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.41 3goy s ALA 1704Cb -0.17 -2.19 0.00 0.00 0.00 0.00 0.00 23.12 20.76 3goy s ALA 1704CO -0.08 0.59 0.85 1.19 0.00 0.00 0.00 175.76 178.32 3goy n PHE 1705N -0.08 0.00 -4.25 0.00 3.72 -1.26 -1.33 117.46 114.25 3goy n PHE 1705Ca -0.02 -0.36 -0.17 0.00 -0.05 0.00 0.00 57.45 56.85 3goy n PHE 1705Cb 0.52 -0.04 -0.11 0.00 -0.94 0.00 0.00 39.48 38.92 3goy n PHE 1705CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 3goy s TYR 1706N -0.72 1.40 0.00 1.38 2.02 -1.26 -4.96 117.35 115.21 3goy s TYR 1706Ca 0.00 -0.58 0.32 0.00 -0.37 0.00 0.00 57.07 56.44 3goy s TYR 1706Cb 0.00 -0.72 1.35 0.00 -0.40 0.00 0.00 41.96 42.19 3goy s TYR 1706CO 0.00 0.15 1.94 -0.44 -1.57 0.00 0.00 175.55 175.64 3goy h ASP 1707N 3.34 0.00 -0.65 2.29 3.32 -1.96 -3.19 116.42 119.58 3goy h ASP 1707Ca -0.39 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.30 3goy h ASP 1707Cb 1.20 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.34 3goy h ASP 1707CO 0.53 0.00 -1.03 -1.22 -1.72 0.00 0.00 179.24 175.81 3goy n TYR 1708N -2.88 1.78 1.05 4.55 4.01 -1.26 -4.74 117.16 119.66 3goy n TYR 1708Ca 0.01 -2.30 0.11 0.00 -0.16 0.00 0.00 57.90 55.56 3goy n TYR 1708Cb 0.27 -0.27 0.06 0.00 -0.31 0.00 0.00 39.34 39.09 3goy n TYR 1708CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3goy n GLN 1709N -0.56 0.97 -3.94 -0.72 6.02 -1.20 -4.35 117.38 113.60 3goy n GLN 1709Ca 0.19 -0.77 -0.10 0.00 -0.01 0.00 0.00 57.00 56.31 3goy n GLN 1709Cb 0.84 -1.48 -0.11 0.00 1.02 0.00 0.00 30.24 30.50 3goy n GLN 1709CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3goy s ALA 1710N -2.56 0.02 -0.11 -1.58 0.00 -1.25 -1.03 121.76 115.26 3goy s ALA 1710Ca 0.18 -0.40 0.01 0.00 0.00 0.00 0.00 51.96 51.76 3goy s ALA 1710Cb 0.18 0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.42 3goy s ALA 1710CO 0.60 -0.14 -0.13 -0.47 0.00 0.00 0.00 175.76 175.62 3goy s TYR 1711N -1.16 1.84 -1.31 0.00 5.04 -0.29 -4.95 117.35 116.53 3goy s TYR 1711Ca -0.13 -0.88 -0.14 0.00 -2.44 0.00 0.00 57.07 53.48 3goy s TYR 1711Cb -0.08 -1.36 -0.03 0.00 0.35 0.00 0.00 41.96 40.83 3goy s TYR 1711CO -0.00 -0.48 2.31 -2.30 -1.34 0.00 0.00 175.55 173.74 3goy n PRO 1712N 4.37 2.70 -0.27 4.97 -0.02 -1.26 -1.83 135.00 143.65 3goy n PRO 1712Ca -0.18 -2.26 -0.04 0.00 -2.02 0.00 0.00 63.50 59.00 3goy n PRO 1712Cb 0.51 -3.04 0.07 0.00 -0.02 0.00 0.00 33.50 31.02 3goy n PRO 1712CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3goy h GLU 1713N 6.19 0.95 -5.37 -0.52 4.81 -1.84 -3.37 114.58 115.43 3goy h GLU 1713Ca 0.60 -0.06 -0.48 0.00 -0.13 0.00 0.00 59.36 59.29 3goy h GLU 1713Cb 0.53 -0.21 -0.28 0.00 0.63 0.00 0.00 28.75 29.41 3goy h GLU 1713CO 1.84 0.63 -0.81 0.71 -0.73 0.00 0.00 179.01 180.65 3goy s TYR 1714N -6.13 1.30 -0.22 0.92 2.02 -1.09 -0.57 117.35 113.58 3goy s TYR 1714Ca -0.13 -0.28 -0.03 0.00 -0.37 0.00 0.00 57.07 56.26 3goy s TYR 1714Cb 0.15 -0.82 -0.00 0.00 -0.40 0.00 0.00 41.96 40.89 3goy s TYR 1714CO 0.78 -0.00 -0.05 -1.17 -1.57 0.00 0.00 175.55 173.53 3goy s LEU 1715N -0.58 2.88 -0.20 -1.29 2.96 0.17 -0.13 118.68 122.49 3goy s LEU 1715Ca 0.05 -0.46 -0.12 0.00 -0.22 0.00 0.00 54.13 53.38 3goy s LEU 1715Cb -0.06 -1.71 -0.05 0.00 0.50 0.00 0.00 46.19 44.87 3goy s LEU 1715CO 0.00 -0.03 0.24 -0.63 -1.32 0.00 0.00 176.35 174.61 3goy s ILE 1716N 1.45 5.33 -0.23 6.68 1.01 0.15 -0.80 121.20 134.79 3goy s ILE 1716Ca 0.05 0.39 -0.02 0.00 0.00 0.00 0.00 60.65 61.07 3goy s ILE 1716Cb -0.14 -3.58 0.01 0.00 0.01 0.00 0.00 42.46 38.76 3goy s ILE 1716CO -0.04 0.36 -0.07 -0.89 0.00 0.00 0.00 174.94 174.31 3goy s THR 1717N 0.76 3.02 0.27 2.92 2.01 0.85 -0.82 115.64 124.65 3goy s THR 1717Ca 0.12 -0.77 0.02 0.00 0.31 0.00 0.00 61.69 61.37 3goy s THR 1717Cb -0.13 -2.43 -0.05 0.00 0.01 0.00 0.00 72.50 69.90 3goy s THR 1717CO 0.03 0.34 0.09 0.72 -0.69 0.00 0.00 174.62 175.11 3goy s PHE 1718N 1.39 1.62 0.00 4.92 -0.12 -0.44 -0.15 117.98 125.20 3goy s PHE 1718Ca 0.03 -1.14 0.00 0.00 -0.05 0.00 0.00 56.93 55.78 3goy s PHE 1718Cb -0.15 -0.97 0.00 0.00 -0.63 0.00 0.00 43.02 41.27 3goy s PHE 1718CO -0.05 -0.27 0.00 -2.13 -0.05 0.00 0.00 175.22 172.72 3goy n ARG 1719N -0.51 0.33 -0.93 1.99 3.00 0.19 0.02 116.66 120.75 3goy n ARG 1719Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3goy n ARG 1719Cb 0.66 -0.81 0.00 0.00 0.00 0.00 0.00 32.46 32.31 3goy n ARG 1719CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99