NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.5167 8.3349 116.8138 58.6266 64.3872 172.8078 1 L 4.3521 8.2577 119.4156 55.7924 43.0388 175.6511 2 I 5.0664 8.5160 118.6765 59.6814 41.6955 174.9140 3 R 4.6890 8.7700 123.0163 54.6406 34.9713 173.8248 4 I 4.9009 8.4184 122.4952 59.4050 41.0635 174.2811 5 G 4.5450 8.9219 113.8972 45.1294 0.0000 170.8085 6 H 5.4502 8.7797 119.9291 54.2380 33.1391 172.6210 7 G 4.3647 9.0589 111.6338 44.5737 0.0000 171.2776 8 F 5.4480 8.5734 122.9934 56.6819 42.5660 172.9982 9 D 4.5947 8.3558 124.5575 52.5551 45.0435 173.9690 10 V 4.7867 7.9652 122.2694 61.3092 35.2983 173.9591 11 H 4.7611 9.0329 125.7601 54.2558 32.5886 171.9895 12 A 4.3773 8.1564 127.7767 50.9249 19.7070 176.7003 13 F 4.6385 8.4300 121.6310 57.6018 39.5734 175.3037 14 G 4.5245 8.8644 109.1877 44.4982 0.0000 171.1320 15 E 5.0696 8.9144 117.8298 54.3950 33.1343 174.4799 16 D 5.7322 8.5117 119.6091 53.0158 44.7909 175.2742 17 R 4.7909 8.7075 115.7426 54.6658 33.0094 172.3384 18 P 5.1085 0.0000 0.0000 62.6615 32.8519 175.1595 19 L 4.8951 9.0209 120.8095 53.2340 46.5315 175.2622 20 I 4.8382 8.3220 122.0148 59.8702 38.9441 175.4891 21 I 4.4212 8.9524 128.6088 60.4731 40.1985 175.7958 22 G 3.6922 9.5682 114.3136 46.7183 0.0000 174.4083 23 G 3.8992 8.5248 105.9170 45.0930 0.0000 174.1214 24 V 4.4732 7.4302 119.5710 60.7627 34.7346 173.8872 25 E 4.8925 8.6579 126.9752 55.5986 30.4893 175.7898 26 V 4.7383 9.1434 119.8703 58.8463 36.2168 173.1487 27 P 4.9501 0.0000 0.0000 62.8284 32.7598 174.7797 28 Y 4.6379 9.1916 123.3706 56.1664 41.6976 173.2502 29 H 5.4605 8.3852 126.4041 54.8656 31.9297 173.5483 30 T 4.3974 9.2155 122.5308 63.1439 71.0729 175.0869 31 G 3.9426 8.7321 112.0268 43.9414 0.0000 172.2329 32 F 4.0220 8.4968 120.2800 58.1141 39.6993 175.1681 33 I 3.6490 7.3769 128.5412 60.7093 37.2912 175.9462 34 A 4.2618 8.2906 128.8261 53.3003 18.7015 177.2971 35 H 4.8675 8.2559 112.5978 56.2129 30.8276 173.4464 36 S 4.5262 7.4463 113.4475 58.9093 64.7453 174.5017 37 D 4.5741 8.8214 121.4648 53.1252 39.4414 176.5545 38 G 3.5166 7.6155 107.0360 46.9952 0.0000 175.3583 39 D 4.5094 7.9689 121.3406 52.7326 39.3392 176.6899 40 V 4.3765 8.1292 119.7119 63.1519 31.8629 177.6006 41 A 3.9342 7.8990 120.1774 55.2774 18.3222 179.5833 42 L 4.0188 7.9128 117.4030 57.9760 41.6406 179.4835 43 H 4.2370 8.4000 116.2330 58.8430 28.5857 177.7175 44 A 3.9837 8.2661 122.8486 54.9982 18.1994 179.4460 45 L 3.8878 7.9143 118.8551 58.5125 42.1536 179.3555 46 T 3.8926 8.1673 115.8848 66.8315 68.3329 176.4413 47 D 4.3511 8.1983 120.6068 57.1345 40.8049 178.6541 48 A 4.0960 8.2410 121.5533 55.2950 18.2588 179.8398 49 I 3.7065 7.8314 118.3065 64.4841 37.2609 178.7234 50 L 4.0788 8.1694 119.9879 57.4477 41.3718 179.9103 51 G 3.5328 8.3795 105.9850 47.7286 0.0000 175.7983 52 A 4.5953 8.2533 123.1852 53.4331 18.4045 178.4782 53 A 4.0864 7.2870 116.7385 50.6852 19.6026 176.5224 54 A 3.6590 7.6426 119.1717 53.4262 16.6023 178.2916 55 L 4.5014 8.2642 118.2294 55.9115 43.5678 176.9355 56 G 4.1146 8.7657 106.4085 43.8335 0.0000 176.5119 57 D 4.7105 8.6887 124.3730 51.1421 42.1906 175.5425 58 I 3.7071 9.4192 120.8743 63.7160 37.8648 177.2822 59 G 3.6943 8.5433 108.6584 47.5341 0.0000 174.4095 60 K 4.4406 7.9599 121.1998 54.7831 30.9339 174.5534 61 L 4.2226 7.7704 119.1676 55.3051 44.3659 177.2027 62 F 5.0614 7.6863 117.3472 54.9573 41.0898 174.6408 63 P 4.4978 0.0000 0.0000 62.9435 30.3925 177.2657 *71 N 4.8329 8.2321 117.8069 54.2236 40.6413 176.0713 72 A 4.1057 8.1459 120.0097 54.7044 19.1049 177.1069 73 D 4.7050 7.9432 117.2708 53.7346 41.7230 176.9064 74 S 4.2216 9.3824 124.4517 61.8557 62.6166 176.8772 75 R 4.1953 7.9640 119.5567 59.3101 29.9086 178.9674 76 G 3.7426 8.1974 105.6068 47.6367 0.0000 175.4971 77 L 4.0531 8.1002 121.4994 57.3712 41.6285 179.5328 78 L 3.9818 8.5076 120.4154 58.0393 41.8956 179.2824 79 R 4.0930 8.3616 118.5560 58.9915 30.2442 178.3760 80 E 3.9835 8.3104 118.4719 59.1818 29.7084 178.6261 81 A 3.9444 8.2966 121.0535 55.2196 18.5354 179.4729 82 F 4.1568 8.1180 118.6482 60.8026 39.3527 177.4728 83 R 3.8153 8.1915 118.9528 59.6652 29.8877 178.5221 84 Q 4.3688 7.8098 118.6477 58.4084 28.7630 179.0127 85 V 3.6042 7.6133 119.1954 65.9535 31.4636 178.1920 86 Q 4.0353 7.4967 119.1548 58.4168 28.3860 178.2583 87 E 3.9490 8.1081 119.6093 59.4148 29.2493 178.7955 88 K 4.4903 7.5953 115.1338 56.2195 32.2088 177.5099 89 G 3.6545 8.6037 108.1635 45.9860 0.0000 172.8360 90 Y 5.4177 7.5939 116.3240 55.9243 41.3689 174.7540 91 K 4.8272 9.5755 119.7899 55.2369 36.7106 175.6217 92 I 4.0788 8.8243 122.2209 62.1122 37.2066 175.9897 93 G 4.0544 9.0405 114.4625 46.7133 0.0000 173.7565 94 N 4.7259 7.2217 118.3859 52.4685 39.6029 173.7312 95 V 4.9664 8.4486 113.1298 59.8758 36.8595 174.4181 96 D 4.9889 8.8102 121.7859 53.1300 44.4639 173.8798 97 I 4.8801 8.7742 127.2805 59.8802 40.1876 175.0224 98 T 4.9037 9.3184 123.4179 61.8593 71.3047 173.0788 99 I 4.3481 8.7743 129.0302 60.5887 39.0186 175.3809 100 I 4.9230 8.9058 128.3794 60.0154 38.7325 174.3793 101 A 4.7894 8.4263 127.5369 50.1681 22.3395 176.6428 102 Q 4.2123 8.3831 122.8333 54.8549 27.7199 174.8252 103 A 4.8886 7.3061 121.6078 49.4043 24.1434 174.0251 104 P 4.0773 0.0000 0.0000 64.9292 30.2182 178.3905 105 K 4.1101 8.8252 114.7501 53.5779 33.5660 179.0525 *107 R 4.4242 8.5694 123.5814 55.0851 31.5721 175.3217 108 P 4.4174 0.0000 0.0000 64.4489 31.5725 176.1960 109 H 4.8964 7.8233 113.8234 55.3070 30.4701 175.6149 110 I 3.8127 7.6903 120.9810 64.6421 37.2963 177.2837 111 D 4.4412 8.2137 119.2106 57.4302 40.9986 178.7434 112 A 4.2067 7.6008 119.3697 52.6419 18.0161 179.5025 *114 R 4.1870 8.2226 119.7685 57.8958 32.3180 177.9467 115 A 3.9574 8.0882 119.3717 55.3615 18.3183 179.8996 116 K 3.9074 7.8603 116.3619 59.5358 32.0458 179.8249 117 I 3.6605 7.6662 119.4309 64.3067 37.1694 178.0224 118 A 3.9378 8.5533 121.9663 55.1970 18.0674 179.0682 119 E 3.8064 8.3486 117.8326 59.6952 29.6011 178.8851 120 D 4.3434 8.0364 118.1603 56.3604 40.9570 177.7938 121 L 3.4392 7.4063 117.3322 52.7873 42.8701 176.0976 122 Q 3.2423 7.7185 117.8031 56.7592 26.7562 171.6018 123 C 4.7304 7.8582 110.2414 56.8379 33.4143 172.8373 124 D 4.6352 8.6662 118.4812 53.3840 41.2123 177.2898 125 I 3.7940 8.2021 124.7082 62.7540 38.1532 176.5749 126 E 4.1885 9.3360 120.5458 58.2139 29.9277 176.3853 127 Q 4.5859 8.2985 116.9945 55.9960 30.2360 174.8257 128 V 4.7728 7.4602 119.1663 61.0852 33.8374 174.2468 129 N 5.1577 8.9659 126.4396 51.8475 42.2115 173.2219 130 V 5.0062 8.2337 123.7821 61.2753 34.7328 174.0601 131 K 4.8771 9.2680 125.5886 55.1658 36.5534 174.7890 132 A 5.1893 8.5123 121.7403 50.6196 22.0406 175.0695 133 T 4.8266 9.2691 115.9146 60.6762 71.8662 172.0934 134 T 4.9870 8.4359 113.6522 59.6423 72.3031 173.5316 135 T 4.4042 8.2282 108.5869 61.1211 69.4145 174.4150 136 E 3.7161 9.1625 118.8502 58.3203 27.4345 176.0410 137 K 4.1648 8.7045 114.4965 56.6456 31.2291 176.9179 138 L 4.3860 7.8465 119.8205 54.1467 43.2687 177.7069 139 G 4.2622 8.4792 110.8871 44.7011 0.0000 174.4738 140 F 4.4700 8.6886 114.5676 59.5040 37.5477 177.4744 141 T 4.4006 6.4400 111.5317 63.8684 68.5852 176.9460 142 G 3.5947 7.5184 107.4372 47.3684 0.0000 175.1606 143 R 4.2320 8.2041 117.7121 55.6591 30.5563 176.2792 144 Q 3.8565 7.8723 116.8571 57.3050 26.7742 174.4349 145 E 4.3738 8.6834 118.6944 57.4487 30.3020 176.6226 146 G 2.9182 6.9635 106.2646 44.8619 0.0000 171.3797 147 I 4.8052 7.2763 111.4735 58.9667 41.2097 174.3572 148 A 5.1680 8.6526 123.6762 50.8235 23.4028 174.4029 149 C 5.0797 8.6051 117.8471 58.2409 35.5801 172.2591 150 E 5.4039 9.5911 126.4389 54.5544 32.3467 174.4027 151 A 5.2595 8.9163 126.4274 50.5562 23.5346 175.2960 152 V 5.0102 8.5635 111.9686 59.5577 35.9600 174.7806 153 A 5.0824 9.0712 125.4403 49.9962 22.9723 174.5363 154 L 5.0757 8.6519 122.8012 53.4175 44.8088 175.5896 155 L 5.1756 8.9136 126.7810 53.7588 44.3341 175.7253 156 I 5.4239 8.7640 120.5949 58.9314 41.9848 175.0941 157 R 4.3536 8.6776 123.7344 55.9935 30.8636 176.5398 158 Q 4.2162 8.6376 123.2477 56.6453 28.6396 176.1485 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 0 S 8.33 4.52 0.00 4.07 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 1 L 8.26 4.35 0.00 1.71 1.73 0.93 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 2 I 8.52 5.07 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.64 0.93 0.00 0.00 3 R 8.77 4.69 0.00 1.44 1.73 0.00 3.21 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.29 0.00 4 I 8.42 4.90 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 1.28 1.47 0.90 0.00 0.00 5 G 8.92 4.55 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 0.00 0.00 0.00 6 H 8.78 5.45 0.00 3.13 3.11 0.00 5.67 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 9.06 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 F 8.57 5.45 0.00 3.03 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 9 D 8.36 4.59 0.00 2.62 2.41 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 10 V 7.97 4.79 1.85 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 0.62 0.00 0.00 0.79 0.00 0.00 11 H 9.03 4.76 0.00 3.14 2.99 0.00 5.82 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.16 4.38 1.01 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 13 F 8.43 4.64 0.00 2.99 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 14 G 8.86 4.52 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 15 E 8.91 5.07 0.00 2.03 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 0.00 2.20 2.42 0.00 16 D 8.51 5.73 0.00 2.59 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 17 R 8.71 4.79 0.00 1.89 2.02 0.00 2.81 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.59 0.00 18 P 0.00 5.11 0.00 2.11 2.10 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 19 L 9.02 4.90 0.00 1.57 1.52 0.76 0.74 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 20 I 8.32 4.84 1.87 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 1.34 0.82 0.91 0.00 0.00 21 I 8.95 4.42 1.89 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 1.23 0.84 0.92 0.00 0.00 22 G 9.57 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 23 G 8.52 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 0.00 0.00 0.00 24 V 7.43 4.47 2.21 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 0.94 0.00 0.00 0.99 0.00 0.00 25 E 8.66 4.89 0.00 2.03 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 0.00 2.27 2.35 0.00 26 V 9.14 4.74 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 0.75 0.00 0.00 0.98 0.00 0.00 27 P 0.00 4.95 0.00 2.10 2.07 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 28 Y 9.19 4.64 0.00 2.99 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 29 H 8.39 5.46 0.00 3.14 3.02 0.00 5.94 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 9.22 4.40 4.27 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 1.26 0.00 0.00 31 G 8.73 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 32 F 8.50 4.02 0.00 2.99 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 33 I 7.38 3.65 1.48 0.00 0.00 0.72 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 0.48 0.77 0.00 0.00 34 A 8.29 4.26 1.24 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 0.00 0.00 35 H 8.26 4.87 0.00 3.25 3.39 0.00 5.76 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.45 4.53 0.00 4.02 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 37 D 8.82 4.57 0.00 2.75 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 38 G 7.62 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 39 D 7.97 4.51 0.00 2.78 2.44 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 40 V 8.13 4.38 1.98 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 0.95 0.00 0.00 0.89 0.00 0.00 41 A 7.90 3.93 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 42 L 7.91 4.02 0.00 1.63 1.73 0.94 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 43 H 8.40 4.24 0.00 3.42 3.29 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 44 A 8.27 3.98 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 45 L 7.91 3.89 0.00 1.89 1.84 0.92 0.84 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 46 T 8.17 3.89 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 47 D 8.20 4.35 0.00 2.85 2.73 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 48 A 8.24 4.10 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.83 3.71 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.74 0.96 0.00 0.00 50 L 8.17 4.08 0.00 1.67 1.68 0.91 nan 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 51 G 8.38 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 52 A 8.25 4.60 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 53 A 7.29 4.09 1.20 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 0.00 0.00 0.00 54 A 7.64 3.66 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 55 L 8.26 4.50 0.00 1.55 1.67 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.77 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.69 4.71 0.00 2.98 2.73 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 58 I 9.42 3.71 1.90 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.76 0.85 0.00 0.00 59 G 8.54 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 60 K 7.96 4.44 0.00 1.66 1.73 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.52 7.81 61 L 7.77 4.22 0.00 1.18 0.64 0.75 0.64 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 62 F 7.69 5.06 0.00 3.13 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 63 P 0.00 4.50 0.00 2.21 2.18 0.00 3.98 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 2.06 2.04 0.00 *71 N 8.23 4.83 0.00 2.81 3.06 0.00 0.00 7.10 7.35 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 72 A 8.15 4.11 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 73 D 7.94 4.70 0.00 2.71 2.60 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 74 S 9.38 4.22 0.00 3.88 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 75 R 7.96 4.20 0.00 2.01 2.02 0.00 3.16 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 76 G 8.20 3.74 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 0.00 0.00 0.00 77 L 8.10 4.05 0.00 1.88 1.77 1.05 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.51 3.98 0.00 1.81 1.89 0.95 0.89 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 79 R 8.36 4.09 0.00 2.08 2.04 0.00 3.23 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 80 E 8.31 3.98 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.19 0.00 81 A 8.30 3.94 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 82 F 8.12 4.16 0.00 3.08 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 83 R 8.19 3.82 0.00 2.11 2.13 0.00 3.19 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 84 Q 7.81 4.37 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.58 0.00 0.00 0.00 0.00 0.00 2.52 2.32 0.00 85 V 7.61 3.60 1.96 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 0.98 0.00 0.00 0.97 0.00 0.00 86 Q 7.50 4.04 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.51 0.00 0.00 0.00 0.00 0.00 1.17 1.67 0.00 87 E 8.11 3.95 0.00 2.18 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 2.31 2.55 0.00 88 K 7.60 4.49 0.00 2.03 1.97 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.22 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.65 7.81 89 G 8.60 3.65 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 90 Y 7.59 5.42 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 91 K 9.58 4.83 0.00 1.89 1.94 0.00 1.39 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.51 7.81 92 I 8.82 4.08 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.81 0.96 0.00 0.00 93 G 9.04 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 0.00 0.00 0.00 94 N 7.22 4.73 0.00 2.88 2.93 0.00 0.00 5.94 7.68 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 95 V 8.45 4.97 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 0.68 0.00 0.00 0.98 0.00 0.00 96 D 8.81 4.99 0.00 2.73 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 97 I 8.77 4.88 1.87 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 1.22 0.51 0.90 0.00 0.00 98 T 9.32 4.90 4.27 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 1.23 0.00 0.00 99 I 8.77 4.35 1.87 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 1.22 0.57 0.92 0.00 0.00 100 I 8.91 4.92 1.85 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.21 0.85 0.00 0.00 101 A 8.43 4.79 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 0.00 102 Q 8.38 4.21 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 103 A 7.31 4.89 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 0.00 104 P 0.00 4.08 0.00 2.19 1.91 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 105 K 8.83 4.11 0.00 1.80 1.64 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 0.99 7.81 *107 R 8.57 4.42 0.00 1.86 1.98 0.00 3.14 0.00 0.00 3.33 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 108 P 0.00 4.42 0.00 1.86 1.99 0.00 3.57 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 109 H 7.82 4.90 0.00 3.15 3.25 0.00 5.63 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 7.69 3.81 1.97 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 1.41 0.74 0.96 0.00 0.00 111 D 8.21 4.44 0.00 2.78 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 7.60 4.21 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 *114 R 8.22 4.19 0.00 2.07 2.02 0.00 3.14 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.86 0.00 115 A 8.09 3.96 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 0.00 116 K 7.86 3.91 0.00 1.80 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.78 7.81 117 I 7.67 3.66 1.98 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 1.55 0.52 0.88 0.00 0.00 118 A 8.55 3.94 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 0.00 119 E 8.35 3.81 0.00 2.19 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 0.00 2.28 2.33 0.00 120 D 8.04 4.34 0.00 2.64 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 0.00 121 L 7.41 3.44 0.00 1.44 1.33 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 122 Q 7.72 3.24 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.64 0.00 0.00 0.00 0.00 0.00 2.26 2.05 0.00 123 C 7.86 4.73 0.00 3.18 2.84 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 0.00 0.00 0.00 0.00 124 D 8.67 4.64 0.00 2.71 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 0.00 125 I 8.20 3.79 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 1.29 1.25 0.90 0.00 0.00 126 E 9.34 4.19 0.00 2.05 1.93 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 2.30 2.42 0.00 127 Q 8.30 4.59 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.52 0.00 0.00 0.00 0.00 0.00 2.40 2.28 0.00 128 V 7.46 4.77 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 0.73 0.00 0.00 0.96 0.00 0.00 129 N 8.97 5.16 0.00 2.86 2.71 0.00 0.00 6.13 7.82 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 0.00 130 V 8.23 5.01 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 0.88 0.00 0.00 0.93 0.00 0.00 131 K 9.27 4.88 0.00 1.80 1.83 0.00 1.31 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.48 1.37 7.81 132 A 8.51 5.19 1.20 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 0.00 0.00 0.00 133 T 9.27 4.83 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 1.26 0.00 0.00 134 T 8.44 4.99 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 1.21 0.00 0.00 135 T 8.23 4.40 4.17 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 1.11 0.00 0.00 136 E 9.16 3.72 0.00 2.04 2.00 0.00 0.00 0.00 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 2.25 0.00 137 K 8.70 4.16 0.00 1.91 2.00 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.54 7.81 138 L 7.85 4.39 0.00 1.75 1.55 0.91 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.48 4.26 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 0.00 140 F 8.69 4.47 0.00 3.38 3.33 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 0.00 141 T 6.44 4.40 4.10 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 0.00 0.00 0.87 0.00 0.00 142 G 7.52 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.20 4.23 0.00 1.86 2.04 0.00 3.34 0.00 0.00 3.26 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 144 Q 7.87 3.86 0.00 2.33 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 145 E 8.68 4.37 0.00 2.13 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 0.00 2.39 2.36 0.00 146 G 6.96 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 0.00 0.00 0.00 147 I 7.28 4.81 1.87 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.04 1.06 0.00 0.00 148 A 8.65 5.17 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 0.00 149 C 8.61 5.08 0.00 2.92 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 0.00 150 E 9.59 5.40 0.00 2.14 1.80 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 2.27 2.45 0.00 151 A 8.92 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 0.00 152 V 8.56 5.01 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 0.89 0.00 0.00 1.00 0.00 0.00 153 A 9.07 5.08 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 0.00 154 L 8.65 5.08 0.00 1.77 1.62 1.00 0.68 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 0.00 155 L 8.91 5.18 0.00 1.33 1.46 0.52 0.50 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 0.00 156 I 8.76 5.42 1.95 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 1.30 1.90 0.96 0.00 0.00 157 R 8.68 4.35 0.00 1.66 1.77 0.00 3.09 0.00 0.00 2.46 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.44 0.00 158 Q 8.64 4.22 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.