NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.5079 8.0333 117.3494 63.1985 70.4032 173.6204 3 L 4.1730 8.6683 125.4130 54.1301 42.6023 175.0985 *4 H 4.9503 8.9306 116.4200 52.4177 32.2102 173.6281 5 K 4.0359 8.8445 122.9480 57.9964 31.9958 177.3088 6 E 4.6615 8.0919 116.1622 56.1266 30.4137 176.3092 7 R 4.9230 8.3870 113.2260 54.8718 31.2049 176.3486 8 R 3.9428 7.8840 118.7649 56.4914 29.2354 176.5054 9 I 3.2457 8.0959 124.2722 63.7409 38.2204 177.4927 10 G 3.5348 7.8470 105.8931 47.9375 0.0000 175.3784 11 R 3.9120 7.8565 121.0079 59.0760 29.9824 178.4683 12 L 3.9086 7.8610 119.0511 57.6849 41.0926 179.6221 13 S 4.0312 8.2932 114.6281 60.9321 62.8025 176.8340 14 V 3.5953 7.5555 121.4753 65.9177 31.2684 177.8391 15 L 3.9180 7.5891 117.2575 57.7890 41.4718 179.2439 16 L 4.0107 7.6642 119.8892 58.1959 41.9377 178.8874 17 L 4.0999 7.4725 118.7644 57.1307 42.0536 177.5795 18 L 4.5046 7.7133 118.1111 53.3374 43.2507 175.3445 19 N 4.9501 7.3791 116.6779 53.0203 42.8012 174.2455 20 E 4.7861 8.3464 115.2401 55.0887 31.0252 176.2965 21 A 4.6394 7.2996 135.0000 52.8752 18.2203 179.6397 *26 Q 4.2214 8.3389 117.1705 56.9864 29.6798 173.6449 27 V 3.6254 8.5626 112.3110 68.5453 31.4610 179.1575 28 E 4.1862 8.2766 119.8309 60.0264 29.2330 179.6426 29 E 4.0676 8.1005 116.9038 61.1411 30.0109 180.6458 30 L 4.6174 8.5420 120.4278 57.7545 41.5543 179.1552 31 E 4.4978 8.7416 119.4627 59.0728 29.4656 179.6093 32 R 4.3175 7.9112 120.4677 59.1693 29.7431 181.5172 33 D 4.8439 7.6537 119.0410 53.7389 42.2018 177.2014 34 G 3.8790 7.1088 118.8160 43.9163 0.0000 172.5705 35 W 5.3445 8.4993 121.1235 55.6025 32.5389 177.7693 36 K 4.5424 9.1150 128.2832 54.1887 32.5821 173.2550 37 V 4.9205 8.5083 125.6592 60.2500 33.8604 174.2596 38 C 5.0436 9.1062 127.1770 57.6516 35.1517 172.2790 39 L 4.9564 8.2664 125.1737 53.7467 44.9686 175.0417 40 G 3.5167 7.8643 113.3006 45.5738 0.0000 172.5427 41 K 5.3140 8.3786 124.1478 52.9928 35.0511 176.9937 42 V 4.5214 9.2677 124.8724 58.8899 34.7597 174.7527 43 G 4.6529 8.7486 111.1632 44.9986 0.0000 171.5926 44 S 4.7740 8.4775 118.9302 57.6202 66.2440 173.9493 45 M 4.5348 8.7575 120.9598 55.2998 33.2987 175.4550 46 D 5.0991 8.6421 120.1072 51.8380 44.1354 176.8258 47 A 4.0073 8.6739 126.1022 55.1342 18.0540 179.0634 48 H 4.3961 8.3376 112.8653 57.9860 28.4900 177.2314 49 K 4.0993 7.6449 120.6560 58.1404 32.5175 178.7761 50 V 3.4999 7.2847 118.7429 66.0026 31.4529 178.2138 51 I 3.5852 8.1647 119.8253 64.1851 36.8870 178.3282 52 A 3.9967 7.6248 120.4052 55.0199 18.1174 179.5920 53 A 3.9890 8.2649 119.6872 55.3293 18.4477 180.0026 54 I 3.1508 7.2819 118.0123 64.1092 36.9841 178.2618 55 E 3.9249 8.1227 120.2131 59.5555 29.4876 179.1142 56 T 3.8577 7.9609 115.4909 66.7095 68.6078 176.6221 57 A 4.2115 8.3417 122.8212 55.3651 18.4793 179.7318 58 S 4.2927 8.2667 113.4862 61.2377 62.8268 176.8792 59 K 4.2040 8.3730 123.2433 59.8995 31.8609 179.5334 60 K 4.1482 8.4731 124.6804 60.0528 32.2287 183.3266 61 S 4.8753 8.5905 114.6806 57.1870 66.3912 174.6863 62 G 3.6935 8.7045 109.4047 48.8503 0.0000 174.9083 63 V 3.7562 7.2147 118.8349 65.3525 31.5759 175.6378 64 I 4.6680 7.4427 117.4200 58.4794 40.9131 174.9169 65 Q 4.0679 8.7669 125.1285 56.9950 29.1534 177.1413 66 S 4.2826 8.8696 121.5596 62.0183 63.4623 175.3941 67 E 4.1438 7.8810 115.2165 56.6697 30.2505 179.1473 68 G 4.1408 8.8859 107.6478 45.6164 0.0000 173.0428 69 Y 4.6864 8.4594 118.5403 59.5230 39.4199 177.4985 70 R 3.7473 8.0602 121.5744 60.4990 30.0841 178.5411 71 E 3.9846 8.0721 117.3067 61.0666 29.9874 180.9529 72 S 4.3283 7.9962 113.4985 61.5135 62.4328 175.5811 73 H 3.9741 8.7613 121.2629 58.9338 29.1937 177.1736 74 A 3.9179 7.7435 122.8452 54.8641 18.2082 179.2983 75 L 4.0533 7.7595 118.9055 57.8210 42.0292 178.6522 76 Y 3.8254 7.8826 119.6085 61.0693 38.7273 177.5415 77 H 4.1563 8.0565 116.6095 58.2934 28.5803 177.5928 78 A 4.0906 7.6495 121.6841 55.0583 18.3367 179.7989 79 T 3.7201 7.7372 114.4223 66.8493 68.2479 176.9220 80 M 3.8496 7.6419 119.8136 58.4626 31.9938 178.4146 81 E 4.1766 7.9971 118.2578 59.2932 29.5731 179.3252 82 A 4.0667 7.6923 121.0787 54.9144 18.4594 179.4277 83 L 4.0630 7.9429 116.8043 57.1765 41.5808 179.3899 84 H 4.2221 7.8870 115.9693 58.8818 28.5130 177.9579 85 G 4.0216 7.9955 106.7938 46.8123 0.0000 175.6401 86 V 4.3331 7.7831 121.0179 65.6553 31.8487 177.6041 87 T 4.1272 8.5689 109.3244 61.5304 70.1665 173.9303 88 R 3.9215 9.1301 119.5127 54.9238 27.1883 173.8564 89 G 3.9707 7.4102 109.7665 44.6918 0.0000 171.5311 90 E 4.5259 7.7604 121.1426 53.8297 32.0233 177.3836 91 M 4.4211 8.3092 126.9143 53.9140 30.8850 175.3768 92 L 4.8670 7.2707 118.5033 52.9415 46.6509 174.9017 93 L 4.4077 8.1531 119.0440 55.4807 44.2725 178.7905 94 G 3.6044 7.2991 111.1631 48.4007 0.0000 175.3523 95 S 4.3003 8.1187 115.9512 60.3683 62.8289 175.4719 96 L 4.5783 7.4691 119.4134 53.1770 42.9405 175.8676 97 L 3.6538 7.8490 118.6209 55.9264 40.8014 174.0226 98 R 4.9283 8.1573 112.3200 54.8985 33.2450 175.0059 99 T 4.8796 9.5006 115.0979 60.5263 71.6437 172.7498 100 V 4.9072 8.5918 118.0271 59.5945 35.6650 175.3123 101 G 3.9098 9.1363 111.0157 44.2419 0.0000 170.4136 102 L 5.3599 9.0424 126.8873 52.7677 44.6109 175.8183 103 R 4.9493 9.5430 123.9465 55.2358 32.1245 175.5337 104 F 5.6073 9.0690 117.2222 55.1399 41.7936 173.4003 105 A 5.2572 9.1961 122.0965 50.2642 22.6823 175.1148 106 V 4.9087 8.6972 120.2587 61.1726 35.0096 174.1983 107 L 5.2548 8.7181 127.4515 52.9027 45.0327 175.4311 108 R 5.7482 9.5798 122.5312 52.5433 33.7467 175.4989 109 G 4.3234 8.5200 112.7540 44.9248 0.0000 170.1262 110 N 5.3137 8.0141 119.0004 51.8799 38.5120 172.9057 111 P 4.7009 0.0000 0.0000 63.5049 32.2494 175.2276 112 Y 4.6642 8.2579 119.7658 56.9463 39.6932 176.4387 113 E 4.1216 8.4408 118.0309 58.2636 30.1452 178.3743 114 S 4.6906 7.9316 112.5578 57.1790 63.4355 174.6511 115 E 3.9709 8.8978 126.5902 59.3443 29.4856 179.1260 116 A 4.1937 7.6633 120.9522 54.7546 18.5841 178.6453 117 E 4.0377 7.8859 115.3372 57.5272 29.7618 178.3228 118 G 3.9333 7.6123 105.6846 44.4234 0.0000 172.3715 119 D 4.9508 8.3423 117.3998 54.0772 42.4232 175.9495 120 W 5.1194 9.7261 121.2237 54.8957 33.8017 174.0184 121 I 5.0964 9.3690 122.3466 59.2497 40.4059 173.8696 122 A 5.2283 8.9556 131.2250 50.1990 21.5438 174.8907 123 V 4.6351 8.7567 123.5760 61.4818 33.7349 174.5541 124 S 5.1214 9.1919 124.6314 56.6664 65.9402 173.2430 125 L 5.2733 8.5862 123.3489 53.2167 45.1813 175.0019 126 Y 5.4980 9.0022 123.5958 53.9776 42.8649 175.1391 127 G 3.9592 6.6855 112.5790 46.1871 0.0000 172.7459 128 T 5.1039 8.3931 115.2395 59.5090 71.9403 172.4342 129 I 4.7817 8.4562 124.8412 59.4136 41.1531 174.8947 130 G 4.1775 8.1738 113.7448 46.2420 0.0000 172.3179 131 A 4.6395 8.1472 121.9408 51.0155 19.2098 177.7991 132 P 3.9757 0.0000 0.0000 64.8829 31.4667 176.8024 133 I 4.0478 6.9962 122.3929 61.2961 38.0483 177.0481 134 K 4.1001 8.6806 122.3398 57.6197 31.5948 176.0675 135 G 4.0088 7.8631 104.9569 45.2915 0.0000 174.4001 136 L 4.5156 7.4165 121.7726 52.7591 40.6562 175.2012 137 E 5.1079 7.7906 118.7192 55.8539 32.5790 174.3229 138 H 5.1415 8.2875 115.5990 53.8422 32.3726 172.0553 139 E 5.2398 8.7946 117.0813 56.5531 29.9838 176.5365 140 T 4.8683 8.1754 116.6832 60.7024 71.7701 172.1799 141 F 5.0648 8.6477 126.0207 57.3482 43.1669 173.0470 142 G 4.6810 8.1901 112.4806 45.5680 0.0000 171.7974 143 V 4.7987 8.4637 124.5923 60.8605 34.3545 174.6415 144 G 4.2291 9.0819 114.8622 44.4148 0.0000 171.4122 145 I 5.2017 8.5171 125.3787 59.5704 39.6920 174.5699 146 N 5.2999 9.2919 124.8041 51.9369 42.7921 173.1621 147 H 3.3312 8.3096 120.0775 54.9732 29.6685 174.9379 148 I 3.9579 7.5349 120.1740 61.1287 37.5457 175.0325 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 T 8.03 4.51 4.28 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 1.24 0.00 0.00 3 L 8.67 4.17 0.00 1.63 1.47 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 *4 H 8.93 4.95 0.00 2.78 2.86 0.00 7.20 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.84 4.04 0.00 1.71 1.91 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.53 7.81 6 E 8.09 4.66 0.00 1.93 1.99 0.00 0.00 0.00 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 2.34 0.00 7 R 8.39 4.92 0.00 2.19 2.14 0.00 3.05 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.78 0.00 8 R 7.88 3.94 0.00 1.82 1.88 0.00 3.09 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 9 I 8.10 3.25 1.75 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.66 0.84 0.00 0.00 10 G 7.85 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.86 3.91 0.00 1.85 2.09 0.00 3.15 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 12 L 7.86 3.91 0.00 1.70 1.32 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.29 4.03 0.00 3.91 3.99 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.56 3.60 2.13 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 1.25 0.00 0.00 0.99 0.00 0.00 15 L 7.59 3.92 0.00 1.70 1.70 0.93 1.04 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 16 L 7.66 4.01 0.00 1.71 1.82 0.89 0.90 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 17 L 7.47 4.10 0.00 1.77 1.80 0.90 1.15 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 18 L 7.71 4.50 0.00 1.67 1.47 0.88 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 19 N 7.38 4.95 0.00 2.80 2.59 0.00 0.00 6.74 7.53 0.00 0.00 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 E 8.35 4.79 0.00 2.00 1.74 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 2.13 1.83 0.00 21 A 7.30 4.64 1.06 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 0.00 0.00 *26 Q 8.34 4.22 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.70 6.70 0.00 0.00 0.00 0.00 0.00 2.26 1.93 0.00 27 V 8.56 3.63 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 1.06 0.00 0.00 0.92 0.00 0.00 28 E 8.28 4.19 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 29 E 8.10 4.07 0.00 2.06 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 2.23 1.97 0.00 30 L 8.54 4.62 0.00 2.05 1.90 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.74 4.50 0.00 2.14 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 2.42 2.47 0.00 32 R 7.91 4.32 0.00 1.95 1.84 0.00 3.24 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 33 D 7.65 4.84 0.00 2.69 2.47 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 34 G 7.11 3.88 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 0.00 0.00 0.00 35 W 8.50 5.34 0.00 3.26 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.11 4.54 0.00 1.46 1.70 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.32 1.25 7.81 37 V 8.51 4.92 2.12 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 0.93 0.00 0.00 1.06 0.00 0.00 38 C 9.11 5.04 0.00 3.05 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.27 4.96 0.00 1.54 1.34 0.86 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.86 3.52 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 0.00 0.00 0.00 41 K 8.38 5.31 0.00 1.50 1.55 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.71 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.24 0.96 7.81 42 V 9.27 4.52 2.28 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 0.97 0.00 0.00 0.96 0.00 0.00 43 G 8.75 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.48 4.77 0.00 3.85 3.63 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 45 M 8.76 4.53 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 46 D 8.64 5.10 0.00 2.56 2.62 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 47 A 8.67 4.01 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.34 4.40 0.00 3.45 3.58 0.00 5.64 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 49 K 7.64 4.10 0.00 1.86 1.80 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.19 1.14 7.81 50 V 7.28 3.50 2.12 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 0.91 0.00 0.00 0.97 0.00 0.00 51 I 8.16 3.59 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.59 0.90 0.00 0.00 52 A 7.62 4.00 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 53 A 8.26 3.99 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 54 I 7.28 3.15 1.53 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 -0.30 -0.36 0.68 0.00 0.00 55 E 8.12 3.92 0.00 2.17 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 0.00 2.34 2.39 0.00 56 T 7.96 3.86 4.28 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 1.24 0.00 0.00 57 A 8.34 4.21 1.66 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 0.00 0.00 58 S 8.27 4.29 0.00 4.10 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 59 K 8.37 4.20 0.00 1.75 1.89 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.71 7.81 60 K 8.47 4.15 0.00 1.81 1.66 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.32 7.81 61 S 8.59 4.88 0.00 4.09 4.09 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 0.00 0.00 0.00 62 G 8.70 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.21 3.76 2.14 0.00 0.00 0.00 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 1.04 0.00 0.00 64 I 7.44 4.67 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.51 0.99 0.00 0.00 65 Q 8.77 4.07 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 66 S 8.87 4.28 0.00 3.88 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 67 E 7.88 4.14 0.00 1.99 1.73 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 2.23 1.87 0.00 68 G 8.89 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.46 4.69 0.00 2.95 2.93 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 70 R 8.06 3.75 0.00 1.88 1.91 0.00 3.20 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 71 E 8.07 3.98 0.00 2.01 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 2.31 1.93 0.00 72 S 8.00 4.33 0.00 3.96 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 0.00 73 H 8.76 3.97 0.00 2.00 3.02 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.74 3.92 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 75 L 7.76 4.05 0.00 1.74 1.84 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 7.88 3.83 0.00 3.12 2.77 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 77 H 8.06 4.16 0.00 3.14 3.31 0.00 5.66 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 7.65 4.09 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 79 T 7.74 3.72 4.06 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 0.99 0.00 0.00 80 M 7.64 3.85 0.00 1.84 1.99 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.75 0.00 81 E 8.00 4.18 0.00 1.97 2.02 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 2.36 2.55 0.00 82 A 7.69 4.07 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 83 L 7.94 4.06 0.00 1.77 1.63 0.78 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 84 H 7.89 4.22 0.00 3.53 3.35 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.00 4.02 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 0.00 0.00 0.00 86 V 7.78 4.33 2.19 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 0.92 0.00 0.00 0.91 0.00 0.00 87 T 8.57 4.13 4.41 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 1.22 0.00 0.00 88 R 9.13 3.92 0.00 1.92 2.01 0.00 3.17 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 89 G 7.41 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 90 E 7.76 4.53 0.00 1.93 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 2.21 2.20 0.00 91 M 8.31 4.42 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 92 L 7.27 4.87 0.00 1.60 1.48 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.15 4.41 0.00 1.81 1.62 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 94 G 7.30 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.12 4.30 0.00 3.85 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 96 L 7.47 4.58 0.00 1.70 1.64 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.85 3.65 0.00 1.74 1.68 0.92 0.90 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 98 R 8.16 4.93 0.00 1.85 1.80 0.00 3.05 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.54 0.00 99 T 9.50 4.88 4.23 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 0.00 0.00 0.00 1.26 0.00 0.00 100 V 8.59 4.91 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 0.74 0.00 0.00 0.98 0.00 0.00 101 G 9.14 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 0.00 102 L 9.04 5.36 0.00 1.78 1.64 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 103 R 9.54 4.95 0.00 1.99 1.89 0.00 3.12 0.00 0.00 3.38 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 104 F 9.07 5.61 0.00 3.08 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 0.00 105 A 9.20 5.26 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 0.00 106 V 8.70 4.91 2.16 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 1.14 0.00 0.00 1.07 0.00 0.00 107 L 8.72 5.25 0.00 1.44 1.19 0.76 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 108 R 9.58 5.75 0.00 1.97 1.86 0.00 3.48 0.00 0.00 3.34 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.49 0.00 109 G 8.52 4.32 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 0.00 110 N 8.01 5.31 0.00 2.81 2.76 0.00 0.00 6.89 7.69 0.00 0.00 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 P 0.00 4.70 0.00 1.71 2.30 0.00 3.83 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.79 0.00 112 Y 8.26 4.66 0.00 3.06 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 0.00 113 E 8.44 4.12 0.00 1.94 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 2.26 2.12 0.00 114 S 7.93 4.69 0.00 3.87 3.78 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 0.00 115 E 8.90 3.97 0.00 2.13 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 2.41 2.39 0.00 116 A 7.66 4.19 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 0.00 117 E 7.89 4.04 0.00 2.32 2.37 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 2.34 2.22 0.00 118 G 7.61 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 0.00 0.00 0.00 119 D 8.34 4.95 0.00 2.71 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 0.00 120 W 9.73 5.12 0.00 3.43 3.24 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 0.00 121 I 9.37 5.10 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.73 1.01 0.00 0.00 122 A 8.96 5.23 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 0.00 0.00 0.00 0.00 0.00 123 V 8.76 4.64 2.17 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 0.96 0.00 0.00 0.90 0.00 0.00 124 S 9.19 5.12 0.00 3.69 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.59 5.27 0.00 1.46 1.50 0.86 0.82 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 0.00 126 Y 9.00 5.50 0.00 3.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 6.69 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 T 8.39 5.10 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 1.17 0.00 0.00 129 I 8.46 4.78 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.59 0.93 0.00 0.00 130 G 8.17 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 0.00 0.00 0.00 0.00 131 A 8.15 4.64 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 132 P 0.00 3.98 0.00 2.18 2.19 0.00 3.76 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 1.98 1.98 0.00 133 I 7.00 4.05 1.86 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 1.15 0.53 0.90 0.00 0.00 134 K 8.68 4.10 0.00 1.78 1.71 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.00 7.81 135 G 7.86 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 136 L 7.42 4.52 0.00 1.60 1.61 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 137 E 7.79 5.11 0.00 1.97 1.82 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 2.10 2.22 0.00 138 H 8.29 5.14 0.00 3.24 3.44 0.00 5.46 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 0.00 139 E 8.79 5.24 0.00 1.95 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 2.29 2.18 0.00 140 T 8.18 4.87 4.28 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 1.14 0.00 0.00 141 F 8.65 5.06 0.00 3.21 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 0.00 142 G 8.19 4.68 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 0.00 0.00 0.00 143 V 8.46 4.80 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 0.79 0.00 0.00 0.66 0.00 0.00 144 G 9.08 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 I 8.52 5.20 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.00 1.13 0.00 0.00 146 N 9.29 5.30 0.00 2.83 2.57 0.00 0.00 6.57 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 H 8.31 3.33 0.00 2.04 1.34 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 0.00 148 I 7.53 3.96 1.82 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.88 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.