NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5435 8.2629 120.6059 55.5112 33.6090 173.4549 2 K 4.8204 7.9872 126.2142 53.0519 33.8970 172.1260 3 I 4.9731 9.5936 127.1056 58.4822 41.0939 173.8882 4 L 4.9373 9.1247 129.0956 53.7012 44.1156 175.0538 5 V 4.8832 8.8752 126.8257 61.4404 33.7416 174.2454 6 I 5.0447 9.0643 130.1952 59.9947 39.3433 174.6092 7 Q 4.7562 9.3153 127.7906 54.5073 30.5864 176.5441 8 G 4.3586 8.4204 114.9800 43.8674 0.0000 171.5171 9 P 4.5192 0.0000 0.0000 63.3129 31.7858 177.8699 10 N 4.2825 8.9792 116.8027 54.7110 38.4728 176.6438 11 L 3.6222 7.8376 117.5471 57.7559 41.5692 178.4560 12 N 4.4116 8.0664 115.0308 55.5150 37.7938 175.9609 13 M 4.4783 8.9979 119.3810 55.3310 32.0593 175.7435 14 L 4.2678 7.4522 120.3344 55.7102 42.1489 177.4095 15 G 4.0328 9.1165 114.1919 46.7420 0.0000 175.0283 *16 H 4.4834 8.2224 117.2089 57.0890 28.3850 181.0206 17 R 3.8046 7.2125 117.7901 58.7235 29.5347 179.5233 *23 G 3.7554 7.6016 108.8100 45.8409 0.0000 173.5133 24 M 4.4558 8.2753 116.5155 54.3986 29.8320 174.4339 25 V 4.5844 7.2570 119.8123 61.0495 35.3211 175.3799 26 T 4.8292 9.5629 119.6370 59.7876 71.6149 175.8774 27 L 3.7437 8.1458 122.7044 58.1957 41.9890 178.5035 28 D 4.1996 7.9730 118.3780 57.7459 40.7933 178.9258 29 Q 3.9276 7.8919 117.9583 58.7799 28.6078 179.0507 30 I 3.6037 7.2884 120.5428 64.4968 37.1074 178.0658 31 H 3.8346 7.7040 117.1870 58.7644 28.3748 177.8080 32 E 4.0130 8.3048 119.4919 59.1280 29.2000 179.1140 33 I 3.6773 7.7272 121.0024 64.6568 37.2392 177.6773 34 M 4.3889 7.9857 120.5921 58.1694 31.7771 178.5007 35 Q 4.0868 8.3011 117.4895 59.9078 29.1265 179.7169 36 T 3.8540 8.4593 116.5167 67.0075 68.4804 176.3056 37 F 4.1360 8.6430 122.5885 61.1372 39.5690 177.4049 38 V 3.7026 8.2265 120.3092 66.6511 31.3196 178.6537 39 K 3.9606 8.7474 123.3409 59.6493 31.5732 180.0757 40 Q 4.4924 7.9669 118.5142 58.6167 29.2576 177.7121 41 G 3.5260 8.1340 104.4501 44.9227 0.0000 172.3936 42 N 4.1687 7.8429 117.4398 54.1215 38.1396 173.4160 43 L 4.2465 7.2074 114.5295 53.1203 42.3724 177.0337 44 D 4.4029 8.4743 123.0007 54.5264 39.5517 174.6883 45 V 5.0867 7.6108 124.3670 60.9769 34.0657 173.5050 46 E 4.2713 8.8220 128.8646 55.9714 30.4359 175.8878 47 L 4.7330 8.3979 124.3609 52.9017 44.4916 175.5052 48 E 4.3652 8.5497 121.9202 54.3264 33.0399 174.1965 49 F 5.4350 8.4568 124.4803 55.8220 41.5567 174.9116 50 F 4.9800 9.2658 124.8060 56.7662 42.6458 172.8107 51 Q 5.1175 8.3567 126.6675 54.7831 31.8088 174.0798 52 T 4.5652 8.6449 118.2262 61.1032 71.3254 173.5119 53 N 4.8132 9.0433 121.9453 53.1530 39.2510 175.2231 54 F 4.8286 8.4511 119.3085 55.3411 41.1079 175.5136 55 E 3.7337 8.9222 124.8420 59.5268 29.4008 179.0473 56 G 3.7632 8.2260 104.8542 48.0052 0.0000 175.2183 57 E 4.3276 8.2974 120.1666 59.0616 29.4708 179.3395 58 I 3.9118 7.8884 119.6491 64.4883 37.2773 178.2067 59 I 3.6864 7.6869 120.5949 64.7218 36.9153 178.0863 60 D 4.3327 8.5537 119.7922 57.3442 40.4233 178.9675 61 K 3.8259 7.7244 118.8703 59.3967 32.5653 178.6916 62 I 3.7670 7.9587 120.3774 64.4913 36.8072 178.4294 63 Q 4.0099 7.9298 117.7651 58.9959 28.5651 178.5272 64 E 4.0818 8.0860 119.0400 58.6950 29.7277 178.9975 65 S 3.9857 7.6712 114.6519 61.2309 62.8039 176.5169 66 V 3.5436 7.2358 121.1718 64.4345 31.6069 175.6402 67 G 4.0954 8.5723 108.4388 45.7988 0.0000 173.1939 68 S 3.4958 8.8886 111.6430 57.7530 64.3634 177.8776 69 D 4.2970 8.0254 133.9970 56.0280 41.0047 175.5205 70 Y 4.8227 8.4163 118.3410 56.8533 38.8587 175.1250 71 E 4.5153 8.9002 124.2639 57.2723 30.8719 176.2689 72 G 4.3255 7.8478 104.9424 45.1748 0.0000 171.9982 73 I 5.2365 8.9108 121.8258 59.3506 40.8039 174.6001 74 I 4.9783 9.0573 127.7094 59.7700 39.7497 174.6606 75 I 5.0499 8.9852 126.2584 59.8563 42.0604 173.1496 76 N 5.2754 9.2843 128.7850 50.8677 39.0944 173.0301 77 P 4.5044 0.0000 0.0000 62.6653 32.9660 177.9187 78 G 3.6580 8.5011 108.0227 46.0139 0.0000 176.3535 79 A 4.0800 8.4261 122.5507 55.2218 18.6508 179.6279 80 F 4.7560 7.8932 114.0182 60.1845 38.7483 177.5835 81 S 4.5637 8.1761 117.3051 61.4845 62.4628 176.3381 82 H 4.6274 7.8394 116.6894 57.6538 28.6344 176.3933 83 T 4.6575 7.8009 108.0123 61.8852 70.7507 174.6016 84 S 4.3678 8.7769 117.4682 57.1039 61.3427 174.0884 85 I 3.3954 7.9620 129.4663 63.5606 36.9041 177.6353 86 A 3.8867 7.7896 121.1984 55.3768 18.3927 179.4489 87 I 3.6355 7.8671 117.9886 64.3981 37.0716 178.6061 88 A 3.9541 7.8075 121.5507 55.4297 18.0957 179.0859 89 D 4.3011 8.2106 116.1283 57.7145 41.1829 179.2180 90 A 4.0848 8.2817 121.1344 55.4340 18.3674 179.5208 91 I 3.7834 8.2370 118.5767 65.1833 36.9516 178.3552 92 M 4.1693 8.2248 118.1372 57.1760 31.8754 177.5493 93 L 4.5019 7.9257 117.1995 54.4567 42.4262 177.5588 94 A 4.0960 7.6239 121.9173 52.9587 19.2045 177.7406 95 G 3.9842 8.0709 104.7788 45.0966 0.0000 172.9619 96 K 4.3476 7.3439 115.8410 55.3908 34.6171 172.9899 97 P 4.3038 0.0000 0.0000 63.4071 32.1665 175.1539 98 V 4.9087 8.5321 124.1285 61.0820 34.5699 173.8510 99 I 4.7658 8.8033 128.9850 59.5060 39.6124 174.2854 100 E 4.8182 8.6697 128.4409 55.4711 30.9601 175.0768 101 V 4.7206 8.6264 126.7539 61.3421 34.2288 174.3534 102 H 4.9341 8.8189 123.4284 54.0738 32.2586 174.5162 103 L 4.0825 8.8745 122.9758 57.9580 42.5150 177.8150 104 T 4.5618 7.7780 106.5525 60.2782 70.7478 173.9618 105 N 4.5995 8.1191 120.3545 51.7263 38.0436 175.0565 106 I 3.8591 7.9604 119.7939 63.0641 38.0820 178.5849 107 Q 3.9325 7.5759 118.9874 58.4689 28.5504 177.2612 108 A 4.5933 8.2672 118.3340 51.6765 19.6160 176.8574 109 R 4.7364 7.1706 117.2586 55.7069 32.6369 175.2944 110 E 3.8776 8.1766 119.0177 56.9026 30.3334 177.1683 111 E 3.7634 8.7277 122.2502 59.5236 29.4989 179.5011 112 F 4.2683 7.7451 111.2265 59.1656 37.7814 175.7980 113 R 3.8385 7.0890 118.8036 56.2195 29.9399 177.5776 114 K 4.1392 7.5922 118.0951 58.3515 32.4997 176.6655 115 N 4.2120 7.8133 118.6767 54.0815 39.6771 174.8559 116 S 4.7341 8.2859 117.6215 56.1594 64.6849 174.2193 117 Y 4.3205 8.4086 128.0357 61.6339 37.9331 178.7700 118 T 4.1483 8.2323 110.3142 64.8176 68.5085 176.4671 119 G 3.6114 8.4414 108.0760 47.5910 0.0000 175.3858 120 A 4.1514 7.8274 121.5254 54.4971 18.3741 179.0924 121 A 4.2020 7.4011 117.4635 54.0227 19.0987 178.1897 122 C 4.3437 7.7000 114.6508 59.6230 28.8197 175.3173 123 G 3.4478 8.3123 111.5607 48.5140 0.0000 173.9827 124 G 4.1044 7.0319 103.9101 45.6129 0.0000 172.8714 125 V 4.9850 8.4968 120.7161 60.8800 34.6654 174.5080 126 I 4.7629 8.6871 128.6245 59.7665 39.5228 174.5421 127 M 5.0354 8.8973 123.0423 55.0157 34.0585 174.8784 128 G 3.7540 8.9357 109.8113 45.8714 0.0000 173.8663 129 F 4.5053 8.0967 115.1145 55.7324 40.6188 177.8834 130 G 3.8499 8.2554 110.8292 45.7836 0.0000 173.2308 131 P 4.5545 0.0000 0.0000 65.5742 31.3437 178.0240 132 L 3.6457 8.1944 119.0597 58.4327 41.6904 179.1930 133 G 3.5315 8.0631 104.7560 47.7367 0.0000 175.0839 134 Y 4.1509 8.6900 119.7193 61.0563 37.8328 178.0475 135 N 3.7607 8.1518 116.7564 56.6742 38.7001 176.8209 136 M 3.7234 8.0296 119.8887 58.5632 31.9797 178.9400 137 A 3.8914 8.0071 120.5319 55.0908 18.5677 179.2520 138 L 3.9324 7.9597 117.1949 58.5386 41.5019 179.1191 139 M 4.0983 8.3462 117.8245 58.9471 32.0523 178.2324 140 A 4.0019 7.7956 120.0532 55.2349 18.6494 178.8483 141 M 3.9008 8.5911 117.1365 59.0625 32.2564 178.2388 142 V 3.5950 8.0616 118.3661 66.4612 31.6128 177.7606 143 N 4.3670 7.8231 115.5716 56.4928 38.4202 177.6031 144 I 3.7809 7.9401 121.1841 64.2520 37.2066 178.4956 145 L 4.0488 8.2638 119.8978 57.6897 41.4582 179.3497 146 A 4.0043 8.1300 120.7500 55.0414 18.3171 179.4046 147 E 3.8379 8.1142 117.6621 59.6758 29.8589 178.3921 148 M 4.0609 8.4297 119.2067 58.8796 30.5544 178.9834 149 K 3.9716 8.1259 117.7889 59.5026 32.3218 179.2519 150 A 4.2523 7.9908 120.9746 55.0389 18.2262 179.5699 151 F 4.3180 8.1984 119.0748 61.6358 39.6439 177.4660 152 Q 3.7960 8.3219 116.8524 57.8917 28.1768 177.7587 153 E 4.3692 7.3520 117.4917 57.2983 30.3897 177.8650 154 A 4.1229 7.4897 120.1629 55.6107 18.4049 179.3484 155 Q 3.9879 7.9967 117.0090 58.3873 28.6754 178.4910 156 K 3.8878 7.3147 116.4391 58.9006 32.7015 177.4051 157 N 4.6689 7.8714 117.0779 54.1385 39.4415 174.1764 158 N 4.5381 9.1589 123.5281 53.5698 39.3728 173.5274 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 1 M 8.26 4.54 0.00 2.34 2.04 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.56 0.00 2 K 7.99 4.82 0.00 1.48 1.67 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.31 1.36 7.81 3 I 9.59 4.97 1.88 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 1.12 1.18 1.05 0.00 0.00 4 L 9.12 4.94 0.00 1.82 1.52 1.01 0.19 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 5 V 8.88 4.88 2.29 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 1.14 0.00 0.00 0.92 0.00 0.00 6 I 9.06 5.04 1.99 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 1.40 0.69 1.13 0.00 0.00 7 Q 9.32 4.76 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.63 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 8 G 8.42 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 9 P 0.00 4.52 0.00 1.87 1.79 0.00 3.83 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.44 0.00 10 N 8.98 4.28 0.00 2.89 2.94 0.00 0.00 7.15 6.82 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 11 L 7.84 3.62 0.00 1.81 1.76 1.06 1.15 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 12 N 8.07 4.41 0.00 2.83 3.04 0.00 0.00 6.31 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 13 M 9.00 4.48 0.00 1.91 2.19 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.68 0.00 14 L 7.45 4.27 0.00 1.71 1.71 0.91 0.95 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 15 G 9.12 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 *16 H 8.22 4.48 0.00 2.94 2.98 0.00 7.22 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 17 R 7.21 3.80 0.00 1.86 1.79 0.00 3.27 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 *23 G 7.60 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.28 4.46 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.09 0.00 25 V 7.26 4.58 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 1.05 0.00 0.00 0.93 0.00 0.00 26 T 9.56 4.83 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 1.23 0.00 0.00 27 L 8.15 3.74 0.00 1.80 1.57 0.63 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.97 4.20 0.00 2.64 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 29 Q 7.89 3.93 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 30 I 7.29 3.60 1.64 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 1.45 0.82 0.42 0.00 0.00 31 H 7.70 3.83 0.00 2.66 1.42 0.00 5.64 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.30 4.01 0.00 2.17 2.18 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 2.41 2.37 0.00 33 I 7.73 3.68 2.07 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 1.54 0.82 0.94 0.00 0.00 34 M 7.99 4.39 0.00 2.25 2.51 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.54 0.00 35 Q 8.30 4.09 0.00 2.34 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 36 T 8.46 3.85 4.53 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 1.26 0.00 0.00 37 F 8.64 4.14 0.00 3.22 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 38 V 8.23 3.70 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 1.00 0.00 0.00 1.13 0.00 0.00 39 K 8.75 3.96 0.00 1.78 1.74 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.40 1.35 7.81 40 Q 7.97 4.49 0.00 2.09 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.26 2.47 0.00 41 G 8.13 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 42 N 7.84 4.17 0.00 2.88 2.81 0.00 0.00 7.13 7.32 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 43 L 7.21 4.25 0.00 1.77 1.58 0.86 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.47 4.40 0.00 2.62 2.61 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 45 V 7.61 5.09 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 0.79 0.00 0.00 0.95 0.00 0.00 46 E 8.82 4.27 0.00 1.89 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 2.30 2.34 0.00 47 L 8.40 4.73 0.00 1.17 1.02 1.08 0.87 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 48 E 8.55 4.37 0.00 2.00 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 2.24 2.28 0.00 49 F 8.46 5.44 0.00 2.92 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 50 F 9.27 4.98 0.00 3.08 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 51 Q 8.36 5.12 0.00 2.04 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.52 0.00 0.00 0.00 0.00 0.00 2.31 2.21 0.00 52 T 8.64 4.57 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 1.44 0.00 0.00 53 N 9.04 4.81 0.00 2.71 2.68 0.00 0.00 6.82 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 54 F 8.45 4.83 0.00 3.14 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 55 E 8.92 3.73 0.00 1.16 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 2.15 1.83 0.00 56 G 8.23 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.30 4.33 0.00 2.25 2.39 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 2.49 2.40 0.00 58 I 7.89 3.91 2.13 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.14 1.04 0.00 0.00 59 I 7.69 3.69 2.02 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 1.51 0.87 0.90 0.00 0.00 60 D 8.55 4.33 0.00 2.90 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 61 K 7.72 3.83 0.00 1.58 1.75 0.00 1.29 0.00 0.00 0.61 0.00 0.00 2.53 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.83 1.08 7.81 62 I 7.96 3.77 1.85 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 1.50 1.12 0.89 0.00 0.00 63 Q 7.93 4.01 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.02 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 64 E 8.09 4.08 0.00 2.00 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 0.00 2.27 2.24 0.00 65 S 7.67 3.99 0.00 3.92 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.24 3.54 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 0.75 0.00 0.00 1.00 0.00 0.00 67 G 8.57 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 0.00 0.00 0.00 0.00 68 S 8.89 3.50 0.00 3.95 3.28 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 69 D 8.03 4.30 0.00 2.62 2.83 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 70 Y 8.42 4.82 0.00 2.92 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 71 E 8.90 4.52 0.00 1.86 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 2.29 2.26 0.00 72 G 7.85 4.33 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 0.00 73 I 8.91 5.24 1.89 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 1.19 0.79 0.94 0.00 0.00 74 I 9.06 4.98 1.99 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 1.16 0.78 1.07 0.00 0.00 75 I 8.99 5.05 1.94 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 1.27 1.48 1.03 0.00 0.00 76 N 9.28 5.28 0.00 2.92 2.97 0.00 0.00 6.94 8.54 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 77 P 0.00 4.50 0.00 2.39 2.24 0.00 3.82 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.17 0.00 78 G 8.50 3.66 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 0.00 79 A 8.43 4.08 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 80 F 7.89 4.76 0.00 3.31 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 81 S 8.18 4.56 0.00 3.78 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 82 H 7.84 4.63 0.00 3.22 3.56 0.00 5.59 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 7.80 4.66 4.35 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 1.33 0.00 0.00 84 S 8.78 4.37 0.00 3.79 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 85 I 7.96 3.40 1.68 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 -0.32 0.73 0.00 0.00 86 A 7.79 3.89 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 87 I 7.87 3.64 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.45 0.97 0.00 0.00 88 A 7.81 3.95 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 D 8.21 4.30 0.00 2.80 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 90 A 8.28 4.08 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 91 I 8.24 3.78 2.06 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 1.55 0.90 0.92 0.00 0.00 92 M 8.22 4.17 0.00 1.99 2.36 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.58 0.00 93 L 7.93 4.50 0.00 1.55 1.69 0.91 0.77 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 94 A 7.62 4.10 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 95 G 8.07 3.98 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 0.00 0.00 0.00 96 K 7.34 4.35 0.00 1.91 1.90 0.00 1.88 0.00 0.00 1.72 0.00 0.00 3.25 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.18 1.41 7.81 97 P 0.00 4.30 0.00 2.12 2.07 0.00 3.82 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 98 V 8.53 4.91 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 1.05 0.00 0.00 0.95 0.00 0.00 99 I 8.80 4.77 1.88 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 1.12 0.65 0.94 0.00 0.00 100 E 8.67 4.82 0.00 2.05 1.79 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 2.09 2.29 0.00 101 V 8.63 4.72 1.68 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 -0.21 0.00 0.00 0.65 0.00 0.00 102 H 8.82 4.93 0.00 3.14 3.16 0.00 5.67 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.87 4.08 0.00 1.65 1.76 1.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 104 T 7.78 4.56 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 1.20 0.00 0.00 105 N 8.12 4.60 0.00 2.62 2.68 0.00 0.00 6.63 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 0.00 106 I 7.96 3.86 1.99 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 1.33 0.59 0.73 0.00 0.00 107 Q 7.58 3.93 0.00 2.47 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.14 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 108 A 8.27 4.59 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 0.00 109 R 7.17 4.74 0.00 1.60 1.65 0.00 3.16 0.00 0.00 3.15 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.51 0.00 110 E 8.18 3.88 0.00 1.16 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 2.22 2.16 0.00 111 E 8.73 3.76 0.00 1.97 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 0.00 2.38 2.38 0.00 112 F 7.75 4.27 0.00 3.12 3.22 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 0.00 113 R 7.09 3.84 0.00 1.52 1.77 0.00 3.01 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.21 0.00 114 K 7.59 4.14 0.00 1.76 1.74 0.00 1.78 0.00 0.00 1.42 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.22 7.81 115 N 7.81 4.21 0.00 2.55 2.62 0.00 0.00 6.65 7.63 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 0.00 116 S 8.29 4.73 0.00 3.87 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 0.00 117 Y 8.41 4.32 0.00 3.22 2.87 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 0.00 118 T 8.23 4.15 4.35 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 1.31 0.00 0.00 119 G 8.44 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 0.00 0.00 0.00 120 A 7.83 4.15 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 0.00 121 A 7.40 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 0.00 122 C 7.70 4.34 0.00 3.18 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 0.00 123 G 8.31 3.45 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 0.00 124 G 7.03 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 0.00 0.00 0.00 0.00 125 V 8.50 4.98 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 0.91 0.00 0.00 0.96 0.00 0.00 126 I 8.69 4.76 1.79 0.00 0.00 0.76 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 0.49 0.85 0.00 0.00 127 M 8.90 5.04 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 128 G 8.94 3.75 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 0.00 0.00 0.00 129 F 8.10 4.51 0.00 3.02 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 0.00 130 G 8.26 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 0.00 131 P 0.00 4.55 0.00 2.24 2.19 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 132 L 8.19 3.65 0.00 1.79 1.98 0.85 1.09 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 0.00 133 G 8.06 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 0.00 134 Y 8.69 4.15 0.00 3.16 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 0.00 135 N 8.15 3.76 0.00 2.65 1.89 0.00 0.00 6.99 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 0.00 136 M 8.03 3.72 0.00 1.76 2.05 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.30 0.00 137 A 8.01 3.89 1.36 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 0.00 138 L 7.96 3.93 0.00 1.88 1.97 1.12 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 139 M 8.35 4.10 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.69 0.00 140 A 7.80 4.00 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 0.00 141 M 8.59 3.90 0.00 2.22 2.21 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 2.64 2.66 0.00 142 V 8.06 3.60 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 1.01 0.00 0.00 1.03 0.00 0.00 143 N 7.82 4.37 0.00 2.92 2.86 0.00 0.00 7.12 7.20 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 0.00 144 I 7.94 3.78 1.89 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 1.52 0.61 0.92 0.00 0.00 145 L 8.26 4.05 0.00 1.94 1.74 0.94 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 146 A 8.13 4.00 1.43 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 0.00 0.00 0.00 147 E 8.11 3.84 0.00 2.28 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 0.00 2.27 2.34 0.00 148 M 8.43 4.06 0.00 2.11 2.38 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.68 0.00 149 K 8.13 3.97 0.00 2.11 1.89 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.65 7.81 150 A 7.99 4.25 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 F 8.20 4.32 0.00 3.12 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.32 3.80 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.38 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 153 E 7.35 4.37 0.00 2.12 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 0.00 2.26 2.60 0.00 154 A 7.49 4.12 1.43 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 0.00 0.00 0.00 155 Q 8.00 3.99 0.00 1.73 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 156 K 7.31 3.89 0.00 1.90 1.86 0.00 1.55 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.66 1.38 7.81 157 N 7.87 4.67 0.00 2.98 2.88 0.00 0.00 6.71 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 N 9.16 4.54 0.00 2.61 2.60 0.00 0.00 7.05 7.44 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 * Residues marked with a * may have inaccurate shift predictions.