NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2919 8.2644 123.5843 51.6514 19.7774 176.3242 3 V 3.6362 8.4441 123.9211 62.7233 32.4553 171.6022 4 E 4.4174 9.6850 126.5951 57.2229 33.1594 174.9288 5 Y 5.2781 8.6098 116.1247 55.9441 41.9045 174.7004 6 L 5.1428 8.7120 123.9552 53.4600 44.6044 175.0488 7 V 4.7555 8.8289 127.5960 61.5413 33.0143 176.0875 8 D 4.3711 8.3052 128.5652 51.9992 42.5850 176.8224 9 A 3.9188 7.9592 120.0567 55.5546 18.2214 179.8578 10 S 4.0164 7.9363 112.0800 61.4942 62.9860 176.4563 11 A 3.9532 8.5469 124.6646 54.5902 18.2522 179.0769 12 L 3.6751 8.0559 119.2612 58.4491 41.8770 178.7510 13 Y 3.8547 8.1930 118.9501 60.7821 38.8758 177.8002 14 A 4.0613 7.9228 121.4746 55.2262 18.4516 179.6298 15 L 4.1002 8.6898 117.6875 57.6746 41.4714 179.0389 16 A 4.6142 8.1930 118.8013 53.8456 18.3731 178.1350 17 A 4.6056 7.6875 117.5028 52.0592 19.8919 176.8214 18 H 5.0940 8.9944 116.0436 55.9358 30.4460 175.5198 19 Y 3.2358 8.3686 120.5231 60.8983 38.9897 177.8322 20 D 4.1141 8.0849 118.5833 57.3181 41.0057 178.2499 21 K 4.2243 7.9401 116.6950 57.5412 32.3812 177.3531 22 W 5.1650 7.6302 113.7705 55.3757 29.8080 177.0893 23 I 3.0716 6.8279 120.7969 64.2048 36.4116 177.7434 24 K 3.9482 7.7287 116.8677 58.8154 32.5249 176.8050 25 H 4.9056 8.6582 116.9305 55.2661 29.8185 175.5692 26 R 3.7935 8.2077 119.3826 59.5317 28.9880 178.7195 27 E 4.0646 8.1288 116.2726 58.5996 29.7145 177.9245 28 K 4.2970 8.8025 118.0030 57.4926 32.5758 176.1866 29 L 5.3324 7.7722 119.4253 53.4176 43.9206 175.5415 30 A 5.1682 9.0218 123.1115 50.7603 23.5871 174.5601 31 I 4.9035 8.7147 111.7284 59.8130 41.9626 173.7872 32 L 4.9481 8.6435 121.1992 53.0065 43.6876 178.0505 33 H 4.1068 8.8876 117.9018 59.0360 29.2257 177.7481 34 L 4.0596 8.1262 120.5361 58.5113 41.8309 178.6642 35 T 3.9683 7.9939 115.6387 67.0337 68.3476 176.3233 36 I 3.6330 7.4155 120.5586 64.6060 37.0916 178.1912 37 Y 3.9950 7.7184 116.9259 60.9410 37.8572 177.9114 38 E 3.9644 8.6783 119.7121 59.3497 29.6055 179.2292 39 A 4.1688 8.6033 121.2317 55.1095 18.4933 179.8208 40 G 3.6167 8.2742 104.2719 48.2210 0.0000 175.4820 41 N 4.5203 8.9160 120.0986 55.8994 38.5699 176.8989 42 A 3.9724 8.0505 122.5809 55.1356 18.6351 179.4288 43 L 4.3528 8.1779 120.1822 57.3960 42.0380 178.9787 44 W 4.2282 8.4645 128.7496 60.3083 30.5719 178.1444 45 K 3.4031 8.0967 118.0961 59.3466 31.2415 179.2340 46 E 3.9417 7.7746 117.4857 59.1584 29.6507 178.9397 47 A 4.1620 7.8022 120.7600 54.9823 18.2040 179.5527 48 R 3.5718 7.4112 116.5658 59.3645 30.0633 178.0757 49 L 4.2816 7.7637 116.0877 53.6422 41.9939 174.8069 50 G 3.9074 7.4601 112.9655 44.6012 0.0000 172.7420 51 R 3.8933 8.5378 118.6377 54.4942 28.8975 173.0167 52 V 3.8075 8.0068 119.4016 63.9049 30.8193 176.5597 53 D 5.6860 8.6495 135.0000 52.8630 39.4570 178.4998 54 W 4.6140 7.3343 117.0665 60.2273 27.7463 177.9848 55 A 3.4336 6.2599 120.6249 54.3476 17.6924 179.3074 56 A 3.7541 7.5460 118.3586 55.2646 18.5250 179.2856 57 A 3.9724 9.1403 120.1270 55.6083 18.3629 180.0798 58 S 4.1659 8.8867 113.0640 61.3419 63.0773 176.6403 59 R 3.8518 7.9332 122.4159 59.5493 29.7986 177.9352 60 H 4.0538 8.3084 117.9432 59.2148 29.6489 176.8405 61 L 3.8599 7.9801 121.1183 57.9902 41.9544 178.3881 62 K 4.0463 8.1934 118.9479 59.4084 32.1649 178.2834 63 K 4.0942 7.6813 118.5384 59.4756 32.5556 179.9310 64 V 3.9414 7.6921 116.7868 63.8690 31.0575 177.4962 *66 S 4.5795 8.1093 112.8370 57.7337 64.7553 175.8558 67 S 4.3213 8.1631 116.3025 60.8416 62.7839 174.3027 68 F 4.7842 7.6777 115.2170 55.8956 40.3136 176.1865 69 K 4.2983 8.5352 123.1784 56.4046 33.6834 175.8090 70 V 4.8070 8.1173 124.6962 60.9123 33.2207 175.2584 71 L 4.3550 8.7478 128.7083 54.2928 42.6215 176.5815 72 E 4.2645 8.5432 120.9947 55.4584 30.3540 175.9839 73 D 4.4730 8.6445 124.8240 54.3996 41.4418 174.9235 74 P 4.6421 0.0000 0.0000 61.0137 32.6601 174.3675 75 P 4.3264 0.0000 0.0000 62.3195 31.3122 177.2385 76 L 4.1215 8.7904 126.4158 58.2741 41.5323 177.1098 77 D 4.3126 7.7215 116.4445 57.6809 41.9339 177.0008 78 E 3.8992 8.0056 117.1590 59.5649 29.8813 180.9053 79 V 3.2445 7.0435 116.9476 63.1708 31.4394 177.6280 *81 R 4.2249 8.1701 119.6164 55.8473 31.7870 177.5200 82 V 3.6111 7.7354 116.4460 65.7978 31.4490 177.6188 83 A 3.9882 8.4179 120.9586 55.3372 18.1282 179.7797 84 V 3.5155 7.7012 115.8847 66.3795 31.6345 177.8952 85 E 4.0583 8.4728 117.4860 58.6425 29.3675 178.6586 86 R 4.5842 7.9815 115.1101 54.7567 30.9433 176.0532 87 G 3.8685 7.8740 106.3950 46.7117 0.0000 173.9655 88 L 4.6342 7.6726 118.6411 52.6291 44.0951 177.1652 89 T 4.2976 7.9512 111.1839 61.1686 71.3951 175.1046 90 F 4.1273 8.5080 121.3867 61.4847 38.9052 176.5205 91 Y 4.3883 7.9321 115.9644 61.4333 37.8538 177.9235 92 D 4.6090 8.5383 119.4371 57.5932 40.9538 178.8849 93 A 3.9870 7.9929 120.9872 55.2784 18.2623 179.5287 94 S 3.8647 7.7518 113.5290 62.1375 62.8916 176.8097 95 Y 3.9625 7.6274 118.0473 60.9934 37.6088 178.4224 96 A 4.0529 8.0952 121.6780 55.5583 18.4630 178.7545 97 Y 3.9113 8.7247 118.3624 60.6887 38.8279 178.1034 98 V 3.4685 8.5399 120.1274 65.1858 31.5742 177.8573 99 A 3.9694 8.3487 120.5746 55.4021 18.2610 179.4364 100 E 3.8162 8.2306 116.9919 59.6236 29.1300 179.6523 101 S 4.0730 8.1973 114.4569 61.2779 62.4596 175.7455 102 S 4.4804 8.0248 115.9677 57.0286 64.1691 173.7750 103 G 3.8289 8.3113 110.2203 46.4443 0.0000 172.4268 104 L 4.8250 8.1177 116.5510 52.9270 47.1495 178.1575 105 V 4.0628 8.0488 120.8518 61.6592 32.8393 174.7361 106 L 4.6742 8.5634 131.0745 54.9168 43.5862 175.3259 107 V 4.6217 9.3423 127.9643 61.7828 32.9929 174.3279 108 T 5.0086 8.6234 122.0929 60.7946 70.8996 173.9361 109 Q 4.2630 8.6911 125.8055 56.3689 29.9671 175.7117 110 D 4.4619 8.0411 118.0138 54.2930 41.7930 176.3383 111 R 3.9030 8.6873 127.3470 59.3780 30.1119 178.5551 112 E 3.8991 8.5647 118.9828 59.4276 29.4673 178.9433 113 L 4.0233 8.1022 118.5279 57.6026 41.4760 179.0772 114 L 4.0109 8.0750 119.7456 58.1633 42.1009 178.6621 115 A 4.1952 7.9476 119.7216 54.3004 18.3751 178.7370 116 K 4.5094 7.8521 114.3717 55.3354 32.8553 176.2923 117 T 4.6368 7.1348 115.8716 61.1907 71.0827 173.1019 118 K 3.9130 8.7753 126.3663 60.0305 31.3044 177.2061 119 G 3.9163 8.8696 112.4281 44.3795 0.0000 172.1218 120 A 4.5835 7.3335 120.9440 52.4474 19.2393 176.9454 121 I 4.7839 8.5665 112.4046 59.5815 42.1344 174.1053 122 D 5.6945 8.2761 122.4222 51.3528 42.0194 177.2613 123 V 3.5503 8.7625 117.3511 65.9688 31.0993 177.8065 124 E 3.9381 8.0957 117.0011 59.7439 29.5722 178.9144 125 T 3.8379 7.8279 117.0241 66.1903 68.4707 176.1104 126 L 3.7715 7.7629 121.8723 58.2603 42.2249 179.1126 127 L 3.9667 7.8865 118.6328 57.6180 41.2252 179.7955 128 V 3.7880 7.3734 111.7268 63.8571 32.0145 178.4501 129 R 4.0969 7.9223 117.9515 59.2526 29.9446 179.0844 130 L 3.8483 8.1183 118.7122 57.6028 41.4424 179.1747 131 A 4.1331 7.8107 118.3156 53.9907 18.3174 178.2209 132 A 4.5075 7.6031 117.3878 52.4635 20.4481 176.7327 133 Q 4.1604 7.9465 120.6005 56.2358 28.9415 175.6131 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 A 8.26 4.29 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 V 8.44 3.64 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.97 0.00 0.00 4 E 9.68 4.42 0.00 1.81 1.19 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 2.14 2.24 0.00 5 Y 8.61 5.28 0.00 2.87 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.71 5.14 0.00 1.82 1.58 1.05 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.83 4.76 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.95 0.00 0.00 8 D 8.31 4.37 0.00 1.58 1.77 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.96 3.92 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 7.94 4.02 0.00 4.00 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 11 A 8.55 3.95 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 12 L 8.06 3.68 0.00 1.70 1.82 0.91 -0.01 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 13 Y 8.19 3.85 0.00 3.23 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.92 4.06 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.69 4.10 0.00 1.74 1.34 0.44 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.19 4.61 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 7.69 4.61 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.99 5.09 0.00 3.42 3.35 0.00 5.66 0.00 0.00 0.00 0.00 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 8.37 3.24 0.00 2.93 2.82 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 20 D 8.08 4.11 0.00 2.65 2.66 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 0.00 0.00 0.00 0.00 21 K 7.94 4.22 0.00 1.99 1.93 0.00 1.62 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.37 7.81 22 W 7.63 5.16 0.00 3.43 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.83 3.07 1.42 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 -0.36 0.12 0.00 0.00 24 K 7.73 3.95 0.00 1.70 1.77 0.00 1.41 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.18 0.87 7.81 25 H 8.66 4.91 0.00 3.31 3.34 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.21 3.79 0.00 2.03 2.26 0.00 2.75 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 27 E 8.13 4.06 0.00 1.99 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 0.00 2.33 2.34 0.00 28 K 8.80 4.30 0.00 2.12 2.10 0.00 1.83 0.00 0.00 1.94 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.48 7.81 29 L 7.77 5.33 0.00 1.49 1.88 0.87 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 30 A 9.02 5.17 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 31 I 8.71 4.90 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.23 0.58 0.00 0.00 32 L 8.64 4.95 0.00 1.42 1.45 0.02 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.89 4.11 0.00 3.37 3.51 0.00 5.63 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.13 4.06 0.00 1.59 1.56 0.73 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.99 3.97 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 36 I 7.42 3.63 1.56 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.51 0.65 0.00 0.00 37 Y 7.72 4.00 0.00 3.19 2.97 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 38 E 8.68 3.96 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.24 0.00 39 A 8.60 4.17 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.27 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.92 4.52 0.00 2.88 2.93 0.00 0.00 7.19 8.35 0.00 0.00 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 A 8.05 3.97 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 43 L 8.18 4.35 0.00 2.10 2.09 1.14 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 44 W 8.46 4.23 0.00 3.45 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.10 3.40 0.00 2.02 1.74 0.00 1.79 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.40 1.80 7.81 46 E 7.77 3.94 0.00 2.13 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 0.00 2.39 2.62 0.00 47 A 7.80 4.16 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 7.41 3.57 0.00 1.14 1.54 0.00 3.18 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.68 0.00 49 L 7.76 4.28 0.00 1.57 1.61 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 50 G 7.46 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.54 3.89 0.00 2.12 2.32 0.00 3.04 0.00 0.00 3.37 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 52 V 8.01 3.81 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 0.77 0.00 0.00 0.93 0.00 0.00 53 D 8.65 5.69 0.00 2.92 2.92 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 54 W 7.33 4.61 0.00 3.69 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 6.26 3.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.55 3.75 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 57 A 9.14 3.97 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.89 4.17 0.00 4.19 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 7.93 3.85 0.00 2.15 2.00 0.00 3.06 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 60 H 8.31 4.05 0.00 3.21 3.43 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.98 3.86 0.00 1.88 1.73 1.05 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.19 4.05 0.00 1.92 2.10 0.00 1.89 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.48 7.81 63 K 7.68 4.09 0.00 1.74 1.87 0.00 1.26 0.00 0.00 1.17 0.00 0.00 2.75 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.41 1.35 7.81 64 V 7.69 3.94 2.32 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 1.66 0.00 0.00 0.83 0.00 0.00 *66 S 8.11 4.58 0.00 4.14 4.22 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 0.00 0.00 0.00 0.00 67 S 8.16 4.32 0.00 4.34 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 7.68 4.78 0.00 2.92 3.05 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 69 K 8.54 4.30 0.00 1.94 1.89 0.00 1.50 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.48 7.81 70 V 8.12 4.81 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 1.00 0.00 0.00 71 L 8.75 4.36 0.00 1.55 1.61 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.54 4.26 0.00 1.96 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 2.32 2.37 0.00 73 D 8.64 4.47 0.00 2.73 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.64 0.00 2.00 2.21 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.11 0.00 75 P 0.00 4.33 0.00 2.06 1.98 0.00 3.54 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.11 0.00 76 L 8.79 4.12 0.00 1.69 1.76 0.79 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 77 D 7.72 4.31 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 78 E 8.01 3.90 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.13 0.00 79 V 7.04 3.24 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.65 0.00 0.00 *81 R 8.17 4.22 0.00 1.89 2.02 0.00 3.24 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 82 V 7.74 3.61 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.09 0.00 0.00 83 A 8.42 3.99 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.70 3.52 2.10 0.00 0.00 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 0.00 0.00 0.95 0.00 0.00 85 E 8.47 4.06 0.00 2.07 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 2.36 2.44 0.00 86 R 7.98 4.58 0.00 1.86 1.94 0.00 3.30 0.00 0.00 3.36 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 87 G 7.87 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.67 4.63 0.00 1.67 1.62 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 89 T 7.95 4.30 4.16 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 90 F 8.51 4.13 0.00 3.13 3.07 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 0.00 0.00 0.00 0.00 91 Y 7.93 4.39 0.00 3.07 3.18 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 0.00 92 D 8.54 4.61 0.00 2.79 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 93 A 7.99 3.99 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 94 S 7.75 3.86 0.00 3.78 3.61 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 95 Y 7.63 3.96 0.00 3.27 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 96 A 8.10 4.05 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.72 3.91 0.00 3.01 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 98 V 8.54 3.47 2.05 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 1.19 0.00 0.00 0.99 0.00 0.00 99 A 8.35 3.97 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 0.00 0.00 0.00 0.00 0.00 100 E 8.23 3.82 0.00 1.95 1.92 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 2.30 2.45 0.00 101 S 8.20 4.07 0.00 3.56 3.08 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 0.00 0.00 0.00 0.00 102 S 8.02 4.48 0.00 3.93 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 0.00 103 G 8.31 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 0.00 104 L 8.12 4.82 0.00 1.44 1.61 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.05 4.06 1.90 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 1.15 0.00 0.00 0.82 0.00 0.00 106 L 8.56 4.67 0.00 1.81 1.56 0.95 0.90 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 0.00 107 V 9.34 4.62 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 0.76 0.00 0.00 0.99 0.00 0.00 108 T 8.62 5.01 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 1.18 0.00 0.00 109 Q 8.69 4.26 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 110 D 8.04 4.46 0.00 2.71 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 R 8.69 3.90 0.00 1.93 1.98 0.00 3.34 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 112 E 8.56 3.90 0.00 2.09 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 2.31 2.40 0.00 113 L 8.10 4.02 0.00 1.71 1.69 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.08 4.01 0.00 1.84 1.70 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.95 4.20 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 7.85 4.51 0.00 1.76 1.85 0.00 1.66 0.00 0.00 1.87 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.57 7.81 117 T 7.13 4.64 4.30 0.00 0.00 0.00 0.00 0.00 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 0.00 118 K 8.78 3.91 0.00 1.90 1.80 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.47 1.39 7.81 119 G 8.87 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 0.00 0.00 0.00 120 A 7.33 4.58 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 0.00 121 I 8.57 4.78 1.90 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.72 1.00 0.00 0.00 122 D 8.28 5.69 0.00 2.98 2.85 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 0.00 123 V 8.76 3.55 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 1.04 0.00 0.00 0.87 0.00 0.00 124 E 8.10 3.94 0.00 2.24 2.20 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 2.64 2.49 0.00 125 T 7.83 3.84 4.40 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 0.00 0.00 1.23 0.00 0.00 126 L 7.76 3.77 0.00 1.57 1.71 -0.15 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 127 L 7.89 3.97 0.00 1.89 1.71 0.98 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 128 V 7.37 3.79 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 0.74 0.00 0.00 0.99 0.00 0.00 129 R 7.92 4.10 0.00 2.07 2.07 0.00 3.35 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.94 0.00 130 L 8.12 3.85 0.00 1.60 1.40 0.89 0.70 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 0.00 131 A 7.81 4.13 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 A 7.60 4.51 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Q 7.95 4.16 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.49 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 * Residues marked with a * may have inaccurate shift predictions.