NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3202 8.3149 120.1286 56.6242 33.3508 175.0120 3 N 4.6981 8.8330 119.5638 51.3577 38.5118 172.7674 4 Y 4.8721 7.9980 116.2384 56.3443 41.5395 173.3410 5 Q 4.2152 8.3230 118.1898 54.1406 32.6905 174.1768 6 K 4.6130 8.1019 120.9667 54.6553 35.8851 175.1515 *8 S 4.2489 8.2539 115.6658 58.1882 63.7484 173.7298 9 V 4.3046 8.0433 122.4458 60.4597 34.0272 175.3338 10 A 4.1547 8.3956 129.4132 51.9848 19.0326 177.6629 11 Q 3.9976 8.7646 121.3264 58.8398 29.0373 177.7685 12 D 4.8294 7.8529 115.8474 53.7061 41.8473 175.4183 13 A 4.5437 7.5907 120.9890 50.8402 20.5460 177.6956 14 R 4.9549 8.2242 120.1326 54.0934 31.7105 175.9098 15 V 4.5647 8.0793 115.8901 60.2058 36.7770 173.1927 16 E 5.0548 8.6307 120.6704 54.9118 31.6344 177.0920 17 L 4.3682 9.0816 122.8836 56.0666 42.2292 178.4085 18 H 3.9749 8.6103 119.0882 59.9667 29.3911 176.7263 19 D 4.3563 8.0367 119.5704 57.5045 40.6615 178.9365 20 S 4.1225 8.1056 114.1132 60.7540 62.9972 174.8454 21 L 4.4827 8.0063 117.0852 53.4055 42.5732 175.7639 22 A 3.6746 7.3699 120.4817 53.0047 16.3430 177.8766 23 L 4.2142 7.8202 120.4299 55.6005 42.5100 178.1051 24 T 4.5840 8.4177 108.9272 61.0242 70.1065 174.5477 25 G 3.9399 7.6840 108.6617 44.9760 0.0000 171.8062 26 A 4.5669 7.1379 119.5546 51.5727 22.3357 174.9649 27 E 4.7342 8.7115 119.1680 54.5376 33.2259 174.6250 28 V 4.9610 8.4385 125.5263 61.0594 34.8768 173.8519 29 S 5.1676 8.8588 122.5555 56.5553 66.0108 172.8515 30 I 4.7058 8.4969 124.6682 59.6448 39.2169 174.3557 31 N 5.2796 8.1808 124.7374 52.7657 43.2094 172.1721 32 H 5.0196 8.2066 113.2020 54.7628 31.0255 173.1179 33 L 4.9596 8.7150 121.0761 52.2090 44.8663 174.5818 34 P 4.8064 0.0000 0.0000 61.8619 33.1229 175.3838 35 A 4.4405 7.9945 122.4415 53.3492 18.4478 178.4438 36 G 3.8546 9.0950 109.6701 45.6014 0.0000 173.1120 37 A 4.6958 7.4604 122.7066 50.4712 21.4826 175.6529 38 G 4.1860 7.8488 106.3719 44.6402 0.0000 173.7291 39 V 3.5255 8.0511 120.3366 62.3079 31.5213 174.9314 40 P 4.6110 0.0000 0.0000 63.5835 31.1364 175.3142 41 F 4.9672 7.1585 112.9566 55.8950 40.9969 173.2633 42 V 4.8212 8.3436 120.8343 61.7226 33.4735 174.1134 43 H 5.1750 8.9115 121.1354 54.7809 32.4396 172.1650 44 S 5.4660 8.3568 112.9238 55.9810 66.2253 172.3807 45 H 5.0091 9.0631 115.7197 54.1449 32.2184 174.3899 46 K 4.2190 8.8638 121.7997 59.3274 32.3120 178.2452 47 Q 4.6034 7.8630 111.6470 55.6195 31.3960 173.6266 48 N 5.2363 8.1300 118.7159 52.1548 40.6473 174.1144 49 E 4.3746 9.4562 125.1592 55.8670 31.5588 174.7230 50 E 5.2725 8.9770 125.2270 54.4496 33.4314 174.2897 51 I 5.1888 8.9571 127.2657 59.9256 40.1979 173.9224 52 Y 5.0085 9.4960 125.5925 56.1710 40.7271 175.1638 53 G 2.5359 8.5608 110.1886 43.7805 0.0000 171.5786 54 I 4.5482 7.9203 127.8206 60.6302 37.5184 176.8409 55 L 4.2801 8.8114 128.9422 57.0950 42.4937 177.0835 56 S 4.3408 8.1626 111.3180 58.3201 66.3214 175.8161 57 G 4.0329 9.1628 107.8194 45.8575 0.0000 172.4877 58 K 4.7363 7.3505 117.6398 55.9596 36.4466 175.2223 59 G 3.8293 7.6459 107.1778 46.0348 0.0000 172.0529 60 F 5.3732 8.1324 120.0726 56.2035 44.4205 173.7248 61 I 4.8190 8.7600 120.1241 59.9091 41.6040 173.7037 62 T 4.8324 8.9147 126.6988 62.1959 70.5125 173.6649 63 I 4.6025 8.9096 128.1366 59.4359 39.6466 175.8649 64 D 4.4607 9.9362 130.2708 55.3984 38.6819 175.7944 65 G 3.9461 8.1761 105.5913 45.1726 0.0000 172.4857 66 E 4.6073 7.9010 122.0065 54.3751 31.3283 174.5939 67 K 4.8709 8.5805 126.5574 55.6466 34.5002 175.6696 68 I 4.5752 8.8450 125.6761 59.2749 39.6478 175.0966 69 E 4.7640 8.9348 126.1812 56.5127 30.3064 176.2041 70 L 5.1656 8.8380 122.6351 53.2613 46.1443 175.4824 71 Q 4.9293 9.1064 118.1966 54.4446 32.5406 173.6552 72 A 4.2257 7.9668 122.5834 54.4948 18.6319 178.3916 73 G 4.1305 8.8754 111.2182 45.0226 0.0000 173.5429 74 D 4.7861 7.9497 120.4863 53.8150 42.1548 175.6037 75 W 5.3579 8.7794 121.4843 55.0089 32.8189 174.6381 76 L 4.9919 9.4097 122.9256 53.0663 45.9119 175.1581 77 R 5.1585 8.6984 121.4272 54.7345 32.6142 175.0513 78 I 4.6875 8.9185 126.0408 59.2593 40.8001 175.1669 79 A 4.3852 8.6713 128.4418 51.2852 19.5504 176.0058 80 P 4.2950 0.0000 0.0000 66.1632 31.6270 178.8719 81 D 4.5082 8.3814 116.7232 56.4699 40.7729 177.0564 82 G 3.7251 8.0187 108.1741 46.2837 0.0000 172.8534 83 K 4.9924 9.2859 125.5977 55.3174 33.4686 176.1059 84 R 5.4894 8.4416 121.5526 53.7593 33.3744 175.0092 85 Q 4.2361 8.0680 118.4030 55.7636 31.8766 172.6842 86 I 4.7742 8.0565 127.5919 60.0700 40.5140 174.1170 87 S 4.9897 8.7301 119.6263 57.1001 66.5626 173.6234 88 A 4.7068 8.9035 123.8900 51.0993 19.5942 177.2110 89 A 4.2607 8.2634 121.7211 51.5767 19.2154 179.1240 90 S 4.1307 8.8028 114.4360 60.6367 62.5944 174.7831 91 D 4.9451 7.7224 116.9849 52.3836 39.1860 175.1899 92 S 4.6807 7.2666 111.8564 57.2274 66.0135 172.8545 93 P 4.7133 0.0000 0.0000 62.4928 33.6604 174.2900 94 I 5.0090 8.7575 118.9526 59.4533 41.7389 173.6178 95 G 4.6110 9.1931 116.3488 44.4408 0.0000 171.9184 96 F 5.4918 8.6465 118.5897 55.6509 42.1716 172.8540 97 L 5.1496 9.1457 119.2848 53.1368 44.9016 175.7862 98 C 4.5622 8.6859 119.8943 58.0511 31.2442 173.0277 99 I 4.7079 8.7663 126.6264 59.8403 38.7292 174.7369 100 Q 4.9981 9.1402 129.6913 54.5369 30.8859 174.7441 101 V 4.8306 8.5681 118.6722 59.1755 37.1244 174.5319 102 K 4.6807 8.9117 124.5593 55.6442 33.0583 176.1843 103 A 4.1348 8.6718 131.5802 53.7120 18.7292 177.5435 104 G 3.9686 8.8362 109.5993 45.9466 0.0000 174.6624 105 S 4.2999 7.8298 114.3664 59.8760 63.6264 174.7893 106 L 4.2541 7.8469 123.2321 54.9081 44.0395 173.2625 107 E 4.3974 9.0713 122.7504 56.4835 29.6399 179.3963 108 G 3.8309 9.4937 110.7389 45.8920 0.0000 172.4751 109 Y 4.6798 8.4882 116.3622 57.1752 40.9555 175.4879 110 T 3.4150 8.6167 118.5970 66.0417 68.2865 173.9573 *112 T 4.3228 7.5334 108.4464 60.8195 70.0770 174.2067 113 D 4.7173 7.8848 119.3619 55.3546 46.3376 175.8243 114 G 3.7959 8.5639 108.4527 44.9663 0.0000 173.2106 115 V 4.2535 7.9641 120.4638 60.4253 33.6877 175.4354 116 V 3.6535 8.3282 127.5819 62.6261 31.9846 175.5129 117 Q 4.2597 8.4025 128.4545 54.5243 28.0508 175.3471 118 L 4.1699 8.3091 124.0173 54.9672 41.6040 177.4969 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 K 8.31 4.32 0.00 1.62 1.61 0.00 1.34 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.39 7.81 3 N 8.83 4.70 0.00 2.89 2.90 0.00 0.00 6.79 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Y 8.00 4.87 0.00 3.09 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.32 4.22 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.82 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 6 K 8.10 4.61 0.00 1.88 1.77 0.00 1.85 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.49 7.81 *8 S 8.25 4.25 0.00 3.93 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.04 4.30 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.91 0.00 0.00 10 A 8.40 4.15 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.76 4.00 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.47 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 12 D 7.85 4.83 0.00 2.70 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.59 4.54 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.22 4.95 0.00 1.68 1.84 0.00 3.28 0.00 0.00 3.89 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.56 0.00 15 V 8.08 4.56 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.89 0.00 0.00 16 E 8.63 5.05 0.00 1.81 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 17 L 9.08 4.37 0.00 1.81 1.70 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.61 3.97 0.00 3.38 3.38 0.00 5.58 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.04 4.36 0.00 2.75 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.11 4.12 0.00 3.85 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.01 4.48 0.00 1.72 1.66 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.37 3.67 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.82 4.21 0.00 1.62 1.63 1.01 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.42 4.58 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 25 G 7.68 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.14 4.57 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.71 4.73 0.00 2.08 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 28 V 8.44 4.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.95 0.00 0.00 29 S 8.86 5.17 0.00 3.86 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.50 4.71 1.77 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.92 0.81 0.00 0.00 31 N 8.18 5.28 0.00 2.52 1.77 0.00 0.00 6.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 H 8.21 5.02 0.00 3.22 3.05 0.00 5.53 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.71 4.96 0.00 1.68 1.62 1.06 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.81 0.00 2.10 2.15 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 35 A 7.99 4.44 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 9.10 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.46 4.70 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 7.85 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.05 3.53 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.95 0.00 0.00 40 P 0.00 4.61 0.00 2.34 2.21 0.00 3.78 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.08 0.00 41 F 7.16 4.97 0.00 3.12 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.34 4.82 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.97 0.00 0.00 43 H 8.91 5.17 0.00 3.34 3.67 0.00 5.26 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.36 5.47 0.00 4.07 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 H 9.06 5.01 0.00 3.18 3.25 0.00 5.65 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.86 4.22 0.00 1.78 1.88 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.44 7.81 47 Q 7.86 4.60 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 48 N 8.13 5.24 0.00 2.62 2.71 0.00 0.00 6.75 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 9.46 4.37 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 50 E 8.98 5.27 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 51 I 8.96 5.19 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.60 1.26 0.00 0.00 52 Y 9.50 5.01 0.00 2.73 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.56 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.92 4.55 1.80 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.39 0.89 0.00 0.00 55 L 8.81 4.28 0.00 1.58 1.70 0.85 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.16 4.34 0.00 3.85 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 9.16 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.35 4.74 0.00 1.89 1.77 0.00 1.28 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.25 1.23 7.81 59 G 7.65 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.13 5.37 0.00 2.88 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 8.76 4.82 1.63 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.31 0.83 0.00 0.00 62 T 8.91 4.83 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 63 I 8.91 4.60 1.81 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.92 0.86 0.00 0.00 64 D 9.94 4.46 0.00 2.76 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.18 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.90 4.61 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 67 K 8.58 4.87 0.00 1.72 1.70 0.00 1.14 0.00 0.00 1.29 0.00 0.00 2.69 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.20 1.36 7.81 68 I 8.84 4.58 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.92 0.91 0.00 0.00 69 E 8.93 4.76 0.00 1.90 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.51 0.00 70 L 8.84 5.17 0.00 1.38 1.36 0.73 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 9.11 4.93 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 72 A 7.97 4.23 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.88 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 7.95 4.79 0.00 2.65 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 W 8.78 5.36 0.00 3.13 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 9.41 4.99 0.00 1.60 1.50 0.89 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 77 R 8.70 5.16 0.00 1.85 1.82 0.00 3.32 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 78 I 8.92 4.69 1.94 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.56 0.89 0.00 0.00 79 A 8.67 4.39 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.29 0.00 2.11 2.28 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 81 D 8.38 4.51 0.00 2.67 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.02 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 K 9.29 4.99 0.00 1.79 1.75 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.37 7.81 84 R 8.44 5.49 0.00 1.60 1.84 0.00 3.24 0.00 0.00 3.14 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.26 0.00 85 Q 8.07 4.24 0.00 2.03 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.89 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 86 I 8.06 4.77 1.50 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.14 0.64 0.00 0.00 87 S 8.73 4.99 0.00 4.05 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.90 4.71 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.26 4.26 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 S 8.80 4.13 0.00 3.91 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 D 7.72 4.95 0.00 2.80 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 S 7.27 4.68 0.00 3.85 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.71 0.00 2.17 2.18 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 94 I 8.76 5.01 2.07 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.52 1.04 0.00 0.00 95 G 9.19 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 F 8.65 5.49 0.00 3.06 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 9.15 5.15 0.00 1.39 1.53 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 98 C 8.69 4.56 0.00 2.68 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.77 4.71 1.93 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.82 0.94 0.00 0.00 100 Q 9.14 5.00 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.73 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 101 V 8.57 4.83 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.99 0.00 0.00 102 K 8.91 4.68 0.00 1.85 1.71 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.31 7.81 103 A 8.67 4.13 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.84 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 S 7.83 4.30 0.00 4.04 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.85 4.25 0.00 1.58 1.59 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 107 E 9.07 4.40 0.00 2.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 108 G 9.49 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Y 8.49 4.68 0.00 3.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 8.62 3.41 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 *112 T 7.53 4.32 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 113 D 7.88 4.72 0.00 2.69 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.56 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.96 4.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.93 0.00 0.00 116 V 8.33 3.65 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.92 0.00 0.00 117 Q 8.40 4.26 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.84 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 118 L 8.31 4.17 0.00 1.67 1.57 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.