NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4184 8.3049 120.3259 55.0782 33.3962 173.7013 2 I 3.8381 8.1661 120.9735 61.1465 37.5215 174.9133 3 S 4.2896 9.1074 122.5575 59.2604 64.4088 175.0263 4 G 3.8587 7.2130 105.5810 45.8937 0.0000 170.5862 5 L 4.2744 8.0559 123.5723 54.4881 43.2268 177.0539 6 S 4.5033 8.4315 120.7344 59.4129 63.0391 173.0431 7 H 4.5952 6.8477 111.2861 55.1338 30.7231 172.4924 8 I 4.4651 7.8404 118.4360 59.7446 40.4665 174.8464 9 T 5.0388 8.5375 123.2733 61.7299 70.6064 173.6021 10 L 4.8377 8.9492 126.1988 52.9675 45.0223 175.3501 11 I 4.9600 8.4192 123.1337 60.0957 38.9765 175.3356 12 V 4.6119 8.6966 118.6933 59.6586 35.9464 176.5657 13 K 4.1695 8.8324 122.8786 58.3830 32.4969 176.6297 14 D 4.8590 7.7198 117.9215 51.3467 42.4665 175.0222 15 L 4.0660 9.3156 129.5013 58.3627 42.1161 178.3182 16 N 4.5882 8.2663 115.4503 55.5898 38.7402 177.6567 17 K 3.9382 8.0388 120.3748 59.8648 32.2116 179.3532 18 T 4.2153 8.1236 115.9619 67.0783 68.3242 176.7017 19 T 3.8458 8.1939 117.3584 66.7587 68.5925 176.5032 20 A 4.1075 8.0317 122.2625 55.0684 18.2516 179.2768 21 F 4.1601 8.4545 119.0166 61.7128 39.5712 177.4057 22 L 3.9263 8.7309 118.8489 57.5903 41.2968 179.8615 23 Q 4.0681 8.1089 118.1230 59.1343 28.6728 178.2106 24 N 4.3313 8.5052 116.2712 55.8865 38.5760 177.1937 25 I 3.7463 7.5015 120.2873 63.2850 37.7319 176.9997 26 F 4.3586 7.6816 113.9899 56.5071 39.3286 175.2888 27 N 4.8679 8.3635 115.8973 52.9392 35.9145 174.1962 28 A 4.4514 7.9917 118.0635 52.2147 19.9344 177.9648 29 E 4.6394 8.9350 120.0506 54.0988 32.3104 174.8113 30 E 4.0589 9.1247 129.4958 56.1062 29.9786 176.0457 31 I 4.5885 8.2669 119.4847 60.2629 39.1332 174.6756 32 Y 4.4686 7.2405 120.7477 57.1397 41.9312 172.6098 33 S 4.5823 7.5059 120.2835 56.8439 66.0855 172.4225 34 S 4.1868 8.4849 119.5822 57.2057 66.3289 173.2212 35 G 4.2060 9.1670 108.8353 45.0268 0.0000 173.4647 36 D 4.5191 9.1383 121.7887 52.3352 43.1087 175.8004 37 K 3.9210 9.0102 127.7139 59.9402 32.1346 178.9622 38 T 4.4267 7.7690 105.2626 62.3037 68.8173 174.4487 39 F 5.0839 8.0142 122.9900 57.3897 40.5685 174.9017 40 S 3.6302 7.7314 109.5832 58.6689 60.8274 172.8019 41 L 4.7466 7.2226 119.6446 52.8301 45.7480 177.8679 42 S 4.5188 8.8946 119.2140 58.4138 63.6487 174.6555 43 K 4.5213 8.7443 121.3435 57.0941 33.4329 175.4637 44 E 5.3268 8.5228 117.7301 56.2185 33.2847 174.4884 45 K 5.0880 9.1055 119.1466 55.2210 37.4902 175.0514 46 F 5.9866 9.0647 120.1675 56.1700 42.3292 174.6042 47 F 6.1363 10.0851 120.8874 54.7130 43.8722 173.5682 48 L 5.3639 8.7326 119.9428 53.2140 44.9492 175.6367 49 I 4.4564 8.6526 123.4496 59.3249 40.6489 175.5678 50 A 3.7727 9.8463 132.2983 53.2520 15.9743 177.6429 51 G 3.9568 8.4706 106.3665 46.3519 0.0000 173.4017 52 L 4.4712 8.2248 123.0299 53.0500 43.2968 175.1172 53 W 5.0341 8.8605 135.0000 57.5857 31.4277 174.2262 54 I 4.9121 9.6969 129.6076 59.6064 39.3767 174.4467 55 C 5.5834 9.1113 127.0768 57.6928 34.6429 172.4477 56 I 5.0986 9.1567 125.9425 59.8008 40.2590 173.9681 57 M 5.2049 9.1092 127.1499 53.4770 35.1536 174.1120 58 E 4.7017 8.9127 127.8290 56.3936 30.5425 175.8105 59 G 4.1306 9.0987 113.2379 46.3912 0.0000 172.1689 60 D 4.6716 8.6880 118.0810 55.4451 41.8475 175.8849 61 S 4.0916 8.0737 114.7684 58.7433 62.3396 173.1375 62 L 4.4515 8.1547 126.5742 53.4796 43.2212 175.3862 63 Q 4.5330 8.2989 126.0203 53.6894 30.4725 175.0553 64 E 3.9758 8.7444 123.2713 56.4847 29.8999 176.5914 65 R 4.1412 8.3921 121.0618 56.2981 30.3203 175.5594 66 T 4.7698 8.1487 114.2432 60.2883 72.0801 172.6303 67 Y 4.6162 8.5124 119.7805 57.6239 38.6984 174.6889 68 N 4.4135 7.9265 117.2488 53.9207 38.9469 173.8026 69 H 4.7339 7.9584 116.7700 54.8052 31.9653 172.4082 70 I 4.4056 7.8575 118.3960 59.2286 40.1412 174.7709 71 A 5.2198 8.2280 127.3370 50.3082 21.4191 175.2389 72 F 4.7270 9.5594 121.2853 55.7624 41.9570 174.8868 73 Q 4.9058 8.7219 123.1046 55.8290 30.2955 174.6238 74 I 4.7898 8.6313 118.3259 59.9914 42.0391 173.5151 75 Q 4.8295 9.4478 120.7599 54.3297 30.8281 177.1512 76 S 4.1537 8.8933 118.0614 62.0305 62.7099 177.0386 77 E 4.1279 8.2000 117.2973 58.5843 29.5770 177.7807 78 E 5.1175 8.2885 120.6615 56.8175 30.0452 177.9722 79 V 3.6784 7.6481 118.8188 66.5745 31.4470 177.7631 80 D 4.3819 8.0509 117.6821 57.2772 40.7660 178.3787 81 E 3.8839 8.0499 118.6746 59.7088 29.4220 178.9103 82 Y 4.0605 8.0072 116.6710 61.1498 37.9922 178.3887 83 T 3.8187 8.1218 116.9388 66.4739 68.4381 176.3976 84 E 3.9457 8.2824 121.3954 58.9149 29.5089 178.8556 85 R 3.7584 7.8937 118.7741 59.5787 28.7201 178.5595 86 I 3.4948 7.7992 119.8884 64.0347 36.9621 178.3660 87 K 4.0126 7.8836 119.7684 59.5592 31.8652 178.6015 88 A 4.0373 7.8640 119.7830 55.3473 18.2534 179.3181 89 L 4.2020 7.4722 116.7915 55.9662 41.7857 178.4752 90 G 4.0400 7.9662 105.9761 45.1384 0.0000 174.0055 91 V 3.9776 6.9187 112.1247 60.4969 32.5131 175.6103 92 E 4.2379 8.7858 123.6418 56.7987 30.6872 175.1250 93 M 5.5302 8.6820 126.2536 53.5944 34.8608 174.7011 94 K 4.5441 8.8371 126.0866 55.4712 33.9566 175.3309 95 P 4.2660 0.0000 0.0000 63.1034 31.4526 175.6506 96 E 4.0584 8.8304 125.0651 56.6816 30.1441 177.4009 97 R 4.2691 8.4087 124.1037 54.9003 30.3587 172.0627 98 P 4.3961 0.0000 0.0000 63.7021 31.6960 176.2947 99 R 4.1941 8.4947 123.5051 56.4033 29.0396 176.3827 100 V 4.3025 7.6645 123.5713 62.0625 32.6289 175.2893 *104 G 3.8263 8.0922 104.1018 45.3670 0.0000 173.9525 105 R 4.3681 8.5715 123.6119 56.7383 31.3844 175.8476 106 S 5.1763 8.2595 115.1574 57.0006 67.5306 173.5706 107 I 4.6718 8.5003 123.3010 59.8574 40.3692 173.9380 108 Y 5.3061 8.8220 124.7620 56.2183 40.6911 174.8405 109 F 5.4489 8.9326 117.9632 56.4202 41.9467 172.4284 110 Y 5.8361 9.2427 116.8927 55.7499 40.4686 176.3490 111 D 3.7035 8.5864 122.1191 53.0912 40.4206 177.3057 112 F 4.8418 8.0957 121.7743 57.7300 39.5863 175.3910 113 D 4.8295 9.8488 120.9167 54.5216 41.5962 175.9168 114 N 4.3063 8.4151 110.8831 54.4918 36.8294 173.8088 115 H 4.6077 7.9523 115.6908 54.7810 30.0298 174.1276 116 L 4.2111 8.2197 125.9643 54.0964 43.2686 175.2029 117 F 4.8443 9.0508 125.7171 55.5557 42.6722 174.1066 118 E 4.7385 8.8968 121.5658 54.4532 33.1866 174.0651 119 L 5.1078 8.8195 127.0460 53.6387 43.6912 174.6937 120 H 5.4052 9.2173 124.8988 54.4693 31.6768 174.5539 121 A 4.9051 7.9941 126.7588 52.4404 19.8003 177.6557 122 G 3.7672 7.0046 103.9904 44.8726 0.0000 172.1217 123 T 4.7514 7.8653 108.0323 59.3899 72.0052 173.7263 124 L 4.1201 8.3640 123.0605 57.8582 42.8329 178.5686 125 E 3.8459 8.4644 121.6695 60.0724 29.6264 178.8288 126 Q 4.2733 7.8845 113.3139 56.1365 28.0412 178.1195 127 R 4.5497 7.5653 116.3554 57.1490 31.2948 176.3687 128 L 4.5263 7.7305 115.3005 55.5000 43.6117 176.1222 129 K 4.1301 7.8930 123.7584 56.5406 32.0488 176.1947 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 8.30 4.42 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 2 I 8.17 3.84 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.07 0.89 0.00 0.00 3 S 9.11 4.29 0.00 3.87 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 4 G 7.21 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.06 4.27 0.00 1.56 1.57 0.83 0.76 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 6 S 8.43 4.50 0.00 3.88 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 H 6.85 4.60 0.00 2.37 2.11 0.00 5.52 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 8 I 7.84 4.47 1.85 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.74 0.87 0.00 0.00 9 T 8.54 5.04 4.21 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 1.24 0.00 0.00 10 L 8.95 4.84 0.00 1.57 1.37 0.99 0.81 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 11 I 8.42 4.96 1.93 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 1.39 0.85 1.01 0.00 0.00 12 V 8.70 4.61 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 0.83 0.00 0.00 1.00 0.00 0.00 13 K 8.83 4.17 0.00 1.72 1.85 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.78 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.39 7.81 14 D 7.72 4.86 0.00 2.66 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 15 L 9.32 4.07 0.00 1.88 1.85 1.15 0.54 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 16 N 8.27 4.59 0.00 2.88 2.88 0.00 0.00 7.16 6.94 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 17 K 8.04 3.94 0.00 1.75 1.34 0.00 1.41 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.33 7.81 18 T 8.12 4.22 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 1.30 0.00 0.00 19 T 8.19 3.85 4.59 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 1.54 0.00 0.00 20 A 8.03 4.11 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 21 F 8.45 4.16 0.00 3.45 3.38 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 22 L 8.73 3.93 0.00 1.18 1.28 0.33 0.81 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 23 Q 8.11 4.07 0.00 2.37 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.69 2.63 0.00 24 N 8.51 4.33 0.00 2.64 2.83 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 25 I 7.50 3.75 1.01 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.06 -0.26 0.00 0.00 26 F 7.68 4.36 0.00 2.81 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 27 N 8.36 4.87 0.00 2.88 2.91 0.00 0.00 7.24 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 28 A 7.99 4.45 1.21 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 0.00 0.00 29 E 8.94 4.64 0.00 2.14 1.89 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 2.24 2.26 0.00 30 E 9.12 4.06 0.00 1.94 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.80 0.00 31 I 8.27 4.59 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 1.35 1.00 1.07 0.00 0.00 32 Y 7.24 4.47 0.00 2.95 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 33 S 7.51 4.58 0.00 3.78 3.38 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 34 S 8.48 4.19 0.00 3.35 3.51 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 35 G 9.17 4.21 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 0.00 0.00 0.00 36 D 9.14 4.52 0.00 2.74 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.01 3.92 0.00 1.88 1.88 0.00 1.72 0.00 0.00 1.88 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.47 7.81 38 T 7.77 4.43 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 39 F 8.01 5.08 0.00 2.93 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.73 3.63 0.00 4.02 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 41 L 7.22 4.75 0.00 1.69 1.52 0.92 0.68 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 42 S 8.89 4.52 0.00 4.03 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 43 K 8.74 4.52 0.00 1.74 1.79 0.00 1.73 0.00 0.00 1.88 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.56 7.81 44 E 8.52 5.33 0.00 2.27 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 2.19 2.28 0.00 45 K 9.11 5.09 0.00 1.87 1.35 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.44 7.81 46 F 9.06 5.99 0.00 3.01 3.01 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 47 F 10.09 6.14 0.00 3.02 2.96 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 48 L 8.73 5.36 0.00 1.66 1.62 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.65 4.46 1.85 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.68 0.62 0.00 0.00 50 A 9.85 3.77 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 51 G 8.47 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 52 L 8.22 4.47 0.00 1.80 1.94 0.99 1.07 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 53 W 8.86 5.03 0.00 3.44 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 9.70 4.91 2.08 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 1.43 1.12 0.98 0.00 0.00 55 C 9.11 5.58 0.00 2.64 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 56 I 9.16 5.10 2.21 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.99 1.07 0.00 0.00 57 M 9.11 5.20 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.50 0.00 58 E 8.91 4.70 0.00 2.10 1.88 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 2.46 2.38 0.00 59 G 9.10 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.69 4.67 0.00 2.68 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.07 4.09 0.00 3.87 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 62 L 8.15 4.45 0.00 1.58 1.55 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.30 4.53 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 64 E 8.74 3.98 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 65 R 8.39 4.14 0.00 1.76 1.89 0.00 3.11 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 66 T 8.15 4.77 4.29 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 1.29 0.00 0.00 67 Y 8.51 4.62 0.00 2.82 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 68 N 7.93 4.41 0.00 2.73 2.66 0.00 0.00 6.69 8.30 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 69 H 7.96 4.73 0.00 3.03 2.95 0.00 5.46 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.86 4.41 1.66 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.33 0.53 0.00 0.00 71 A 8.23 5.22 1.09 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 0.00 0.00 72 F 9.56 4.73 0.00 3.15 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 73 Q 8.72 4.91 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 74 I 8.63 4.79 2.07 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 1.19 0.51 0.66 0.00 0.00 75 Q 9.45 4.83 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.75 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 76 S 8.89 4.15 0.00 3.86 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 77 E 8.20 4.13 0.00 2.11 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 2.28 2.35 0.00 78 E 8.29 5.12 0.00 2.30 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 2.27 2.20 0.00 79 V 7.65 3.68 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 1.07 0.00 0.00 1.02 0.00 0.00 80 D 8.05 4.38 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 81 E 8.05 3.88 0.00 1.84 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 2.30 2.33 0.00 82 Y 8.01 4.06 0.00 3.01 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 83 T 8.12 3.82 4.39 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 1.22 0.00 0.00 84 E 8.28 3.95 0.00 2.01 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 0.00 2.25 2.27 0.00 85 R 7.89 3.76 0.00 1.85 1.96 0.00 3.21 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 86 I 7.80 3.49 1.66 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.43 0.59 0.00 0.00 87 K 7.88 4.01 0.00 2.09 1.99 0.00 1.56 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.51 7.81 88 A 7.86 4.04 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 89 L 7.47 4.20 0.00 1.79 1.88 0.85 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 90 G 7.97 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 91 V 6.92 3.98 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 0.75 0.00 0.00 1.13 0.00 0.00 92 E 8.79 4.24 0.00 2.12 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 2.70 2.44 0.00 93 M 8.68 5.53 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.61 0.00 94 K 8.84 4.54 0.00 1.90 1.95 0.00 1.54 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.73 1.53 7.81 95 P 0.00 4.27 0.00 2.23 2.16 0.00 3.83 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 2.03 2.01 0.00 96 E 8.83 4.06 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 97 R 8.41 4.27 0.00 1.87 1.71 0.00 3.33 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 98 P 0.00 4.40 0.00 2.04 2.04 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 99 R 8.49 4.19 0.00 1.81 1.96 0.00 3.34 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 100 V 7.66 4.30 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 0.84 0.00 0.00 0.99 0.00 0.00 *104 G 8.09 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 0.00 105 R 8.57 4.37 0.00 1.77 1.90 0.00 3.32 0.00 0.00 3.36 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.64 0.00 106 S 8.26 5.18 0.00 3.95 3.84 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 0.00 107 I 8.50 4.67 1.92 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 1.27 0.95 0.95 0.00 0.00 108 Y 8.82 5.31 0.00 3.00 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 0.00 109 F 8.93 5.45 0.00 3.41 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 0.00 110 Y 9.24 5.84 0.00 2.89 2.89 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 0.00 111 D 8.59 3.70 0.00 1.91 2.42 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 0.00 112 F 8.10 4.84 0.00 3.00 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 0.00 113 D 9.85 4.83 0.00 2.90 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 0.00 114 N 8.42 4.31 0.00 2.88 2.89 0.00 0.00 7.18 8.16 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 0.00 115 H 7.95 4.61 0.00 3.65 2.85 0.00 5.80 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.22 4.21 0.00 1.51 1.48 0.43 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 117 F 9.05 4.84 0.00 1.94 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 0.00 118 E 8.90 4.74 0.00 1.38 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.47 0.00 119 L 8.82 5.11 0.00 1.60 1.41 0.32 0.38 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 0.00 120 H 9.22 5.41 0.00 3.30 3.13 0.00 5.77 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 0.00 121 A 7.99 4.91 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 0.00 122 G 7.00 3.77 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 0.00 0.00 0.00 123 T 7.87 4.75 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 124 L 8.36 4.12 0.00 1.75 1.70 0.92 0.75 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 0.00 125 E 8.46 3.85 0.00 2.04 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 2.38 2.31 0.00 126 Q 7.88 4.27 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.52 0.00 0.00 0.00 0.00 0.00 2.31 2.17 0.00 127 R 7.57 4.55 0.00 1.90 2.10 0.00 3.24 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 128 L 7.73 4.53 0.00 1.65 1.68 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 129 K 7.89 4.13 0.00 1.88 1.69 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.