NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4202 8.1633 120.3490 55.0770 34.5108 176.6802 2 N 4.2277 8.1461 120.5823 55.1520 39.9099 173.9565 3 R 4.6643 8.0202 117.3034 53.0955 31.7238 175.6041 4 G 4.0157 8.1875 107.1735 48.5467 0.0000 172.3260 5 A 4.0803 8.0732 122.5623 54.0549 18.5435 178.8343 6 L 3.7443 7.8784 116.7745 59.1364 42.3430 178.9248 7 I 3.6963 8.4498 119.7840 63.3257 36.6467 177.8683 8 K 4.4975 7.9315 123.6075 59.4741 32.6181 178.5701 9 L 4.0990 8.7345 119.8549 58.3615 41.3877 179.0839 10 V 3.4163 8.3138 116.3071 66.8048 31.6407 177.8943 11 E 4.2196 8.2686 117.2434 58.4212 29.6884 177.2424 12 S 4.4822 7.7217 115.0957 57.3604 61.8893 173.1854 13 R 4.3705 7.8852 126.8973 56.5428 30.4402 175.2764 14 Y 4.4714 7.5254 110.6809 57.1684 38.2411 176.3941 15 V 4.1185 7.1818 114.2119 61.8237 32.7197 175.2222 16 R 4.3452 8.0241 115.6846 56.1156 33.5578 174.5215 17 T 4.4476 8.0893 117.5662 61.1576 68.1233 171.5469 18 D 4.5084 8.0994 133.2812 53.8039 42.4940 177.1121 19 L 4.1479 7.9556 119.2877 53.4289 42.2503 174.9199 20 P 4.2862 0.0000 0.0000 62.9922 31.7904 175.7733 21 E 4.3669 8.6196 120.8278 54.6738 29.4274 174.8305 22 F 5.0024 7.7219 120.7074 54.9858 40.8365 175.3269 23 R 4.1081 8.8006 114.0648 57.1601 31.7205 174.9661 24 P 5.0468 0.0000 0.0000 64.7288 29.4336 174.9766 25 G 3.8409 7.8496 107.6099 45.0408 0.0000 174.3184 26 D 4.6202 8.4528 114.1144 54.1772 44.2314 174.6111 27 T 4.8173 7.5315 121.8094 62.3678 69.0906 173.3649 28 V 5.1889 6.6890 130.1720 63.5127 35.2272 171.0565 29 R 4.2427 8.7092 125.3635 56.5497 32.4620 172.9375 30 V 3.2716 7.3431 114.5789 58.1255 35.1919 175.1080 31 S 4.6460 7.7838 115.9789 58.0215 63.7390 172.3985 32 Y 4.5360 8.2898 113.3088 55.9802 40.0918 171.9465 33 K 3.5595 7.7275 129.6394 54.7522 31.7995 175.3459 34 V 4.3352 8.2317 123.4060 60.8030 33.6809 174.8430 35 K 4.0191 8.7740 125.2391 59.1180 37.3793 174.4720 36 E 3.6599 10.2583 121.5509 57.3158 28.2253 176.1867 37 G 4.0695 8.4290 105.6121 44.8154 0.0000 173.4459 38 N 5.0087 8.1776 117.5500 51.0691 39.2647 175.3829 39 R 4.1136 8.6546 118.7798 56.9311 30.0159 176.1189 40 T 4.3735 8.1053 108.5260 59.7193 71.0493 171.9933 41 R 3.9433 8.2968 118.9959 55.3409 30.5491 173.7977 42 I 4.3410 8.2118 121.6097 61.7138 37.2325 175.4267 43 Q 3.6370 7.8301 120.6108 56.4786 29.2845 176.5497 44 D 4.9960 8.4311 125.3030 53.6107 43.1719 176.5790 45 F 4.3627 8.4286 120.1762 56.5571 40.7670 171.1478 46 E 4.0205 8.3953 123.3260 56.6068 30.0257 175.1861 47 G 4.2272 8.3530 112.9957 46.1430 0.0000 170.9974 48 I 4.7655 8.0836 120.4562 59.3861 40.4789 176.3445 49 V 4.4946 8.2698 125.0082 60.9137 31.8564 176.5139 50 I 3.7974 8.6899 128.8695 64.2759 38.2152 176.4198 51 R 4.7350 7.4863 118.6512 55.3804 34.0672 174.0318 52 I 4.9541 8.4733 125.2040 59.7497 40.0461 174.9860 53 R 4.4946 8.6481 129.2920 54.5034 31.3048 175.8715 54 R 4.4181 8.5474 125.8553 56.5161 30.9125 176.5987 55 N 4.4604 8.7194 116.7975 53.1041 38.9147 174.5747 56 G 3.9120 8.0989 107.8430 44.0529 0.0000 175.0549 57 F 4.9472 7.5541 118.1672 55.2607 42.7303 174.8863 58 N 3.4102 6.5634 115.4631 53.1933 36.4206 174.0964 59 T 3.8073 8.0441 114.3401 62.7480 67.7302 173.6986 60 T 5.5020 8.2014 119.0278 60.2484 71.9307 173.0716 61 F 5.5293 8.5167 114.3904 56.2056 41.1912 173.1126 62 T 5.2951 9.0095 110.0944 58.9680 72.2368 173.1152 63 V 5.5654 7.5688 114.8011 58.6920 36.1330 174.4256 64 R 5.2070 8.4376 123.4051 54.6367 32.6779 173.7544 65 K 4.6474 9.3921 126.9893 54.7198 36.6306 175.5464 66 V 4.1633 8.2131 123.6639 61.4311 30.4885 175.4912 67 S 4.1646 8.1694 122.7765 57.4525 62.1036 175.5610 68 Y 3.9578 8.5496 128.5720 58.8419 35.1521 170.8248 69 G 3.7559 9.5466 114.5752 48.6468 0.0000 174.6489 70 V 3.6566 7.7087 121.8525 62.1040 31.9665 175.0347 71 G 4.1410 8.5096 114.9474 46.0901 0.0000 172.8379 72 V 4.8625 9.8510 123.4521 60.7953 35.5417 173.8918 73 E 5.8450 8.6223 122.2235 53.7282 32.6143 174.8433 74 R 4.2173 7.8911 119.7630 54.2189 33.8050 174.9927 75 I 4.3807 7.5791 121.5319 59.7027 39.5269 174.8446 76 F 5.2459 8.2522 127.3617 55.0936 40.0595 175.7809 77 P 4.2924 0.0000 0.0000 63.4937 31.4116 177.3248 78 L 4.2919 8.7309 117.9201 55.6383 40.4860 173.1807 79 H 4.8643 7.7951 112.4464 55.5170 34.4777 171.6806 80 S 4.1454 9.2062 120.3469 57.7165 59.6385 169.6474 81 P 4.2416 0.0000 0.0000 62.2253 29.8521 175.3094 82 L 4.4734 7.9232 120.2782 56.4141 44.3693 175.4752 83 I 3.7283 7.1803 115.8582 63.1937 39.4630 175.4782 84 Q 4.3497 7.1800 118.6945 56.5415 30.2036 173.9924 85 K 4.3577 8.3323 112.2737 55.4469 33.5894 175.5913 86 I 3.7994 7.5581 117.7347 61.7131 38.8312 173.8587 87 D 5.1037 8.4992 127.4357 52.9060 41.4488 174.9247 88 I 3.9009 8.3076 122.2952 62.3703 36.9792 177.6615 89 V 4.3591 8.9786 125.1695 61.8604 32.5349 174.4585 90 Q 4.4959 8.6073 126.9678 54.6532 30.1182 173.5718 91 R 4.4030 8.7758 126.0297 55.2017 34.9337 178.6283 92 G 4.2200 9.4762 113.6717 46.1796 0.0000 174.0433 93 R 4.0803 8.7919 123.9970 56.5484 30.3724 175.6680 94 A 3.7149 7.7418 119.0276 52.9026 15.0303 177.0477 95 R 4.2522 8.1789 115.9926 57.4937 30.4424 176.8444 96 R 4.7412 7.4800 113.6045 53.9334 34.2433 176.9108 97 A 4.1841 9.0280 123.7015 52.9638 17.1447 180.5340 98 K 3.9837 9.3858 116.5872 56.2042 33.4534 177.4774 99 L 5.0740 8.2827 123.4177 54.6381 39.9959 176.7423 100 Y 4.2592 8.3331 118.1272 59.6157 38.7290 177.5397 101 F 4.5511 8.2100 114.5243 58.1558 37.5104 175.8056 102 I 3.6469 7.1930 115.1568 61.9938 38.3422 177.0325 103 R 3.7776 7.6828 117.3710 59.0945 30.1465 177.4474 104 N 4.2353 8.2847 119.3070 56.2284 39.3582 175.2706 105 L 4.5979 7.2570 119.3792 52.5357 42.2030 175.5179 106 S 4.9025 9.0207 117.1648 55.3172 66.2034 175.7681 107 D 4.8163 7.6213 120.2220 53.8545 40.4329 179.7658 108 R 3.9268 8.0445 112.7772 58.1967 29.7102 178.2321 109 E 3.9982 9.1777 120.2858 59.3880 29.3909 178.9731 110 I 3.6762 7.2701 119.8844 64.3231 37.0245 177.7173 111 R 4.2907 7.5403 112.9014 56.8396 29.6502 177.4736 112 R 4.3947 8.0497 117.1634 57.7011 30.4991 178.0728 113 K 4.3229 7.9689 118.0608 57.4589 33.8795 177.4498 114 L 4.9159 7.9270 120.2793 53.1394 42.0176 176.6670 115 R 4.0542 8.4300 122.7817 56.3113 29.2186 179.2618 116 A 4.3351 8.7170 120.4438 52.1997 22.4979 177.8615 117 D 4.6041 8.0211 123.2317 52.7532 39.8125 176.0974 118 R 4.0172 8.6937 123.4265 59.5838 30.6771 179.8782 119 K 4.4402 7.5469 117.9883 59.0790 33.0549 177.9558 120 R 4.6813 7.8951 117.2904 56.9769 30.1142 178.4724 121 I 3.8292 8.3394 119.6746 64.1625 37.9868 177.5874 122 D 4.3805 8.0279 119.2842 57.4402 40.7639 178.4780 123 Q 4.0795 7.6636 116.3712 58.9506 28.2806 178.2064 124 D 4.5155 7.7013 119.2976 56.2973 41.3565 178.8037 125 R 3.9234 7.8655 116.9132 58.6567 30.3328 177.0377 126 A 4.3558 8.5744 118.7672 52.3955 18.4699 176.7746 127 A 4.6198 7.8322 119.9597 52.5550 19.2885 178.4802 128 E 4.4217 8.1307 115.4044 58.2069 29.8457 178.2274 129 R 4.2071 7.3521 120.4596 57.1090 27.6843 176.1579 130 A 4.7068 7.4942 126.6373 50.4301 19.5358 176.7477 131 A 4.1889 7.7989 124.3432 52.2641 19.7736 178.0549 132 K 4.5651 8.3952 119.5901 56.3685 32.5736 177.3871 133 E 4.3628 8.0972 118.0035 56.4842 28.8123 176.2095 134 E 4.2691 8.4801 117.9993 55.3364 30.9336 176.3437 135 A 3.8145 8.6531 122.8774 52.6830 16.3318 177.8560 136 Q 4.5513 7.6786 113.9647 55.8548 30.9378 176.0090 137 K 4.4445 7.5750 114.5429 56.0691 33.7403 175.4872 *138 A 4.1104 7.7236 125.2815 52.4702 18.7921 176.8672 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 8.16 4.42 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.63 0.00 2 N 8.15 4.23 0.00 2.83 2.89 0.00 0.00 6.64 6.78 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 3 R 8.02 4.66 0.00 1.80 1.86 0.00 3.32 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 4 G 8.19 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 5 A 8.07 4.08 1.31 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 0.00 0.00 6 L 7.88 3.74 0.00 1.72 1.85 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.45 3.70 2.00 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 1.65 1.16 1.02 0.00 0.00 8 K 7.93 4.50 0.00 1.92 2.03 0.00 1.69 0.00 0.00 1.59 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.43 7.81 9 L 8.73 4.10 0.00 1.88 1.70 0.92 0.80 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 10 V 8.31 3.42 2.25 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 0.80 0.00 0.00 0.94 0.00 0.00 11 E 8.27 4.22 0.00 2.38 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 2.37 2.45 0.00 12 S 7.72 4.48 0.00 3.46 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 13 R 7.89 4.37 0.00 1.48 1.45 0.00 3.25 0.00 0.00 3.05 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.37 0.00 14 Y 7.53 4.47 0.00 2.75 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 15 V 7.18 4.12 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 0.49 0.00 0.00 0.90 0.00 0.00 16 R 8.02 4.35 0.00 1.77 1.99 0.00 3.32 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 17 T 8.09 4.45 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 1.20 0.00 0.00 18 D 8.10 4.51 0.00 2.75 2.69 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 19 L 7.96 4.15 0.00 1.67 1.64 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.29 0.00 2.10 2.06 0.00 3.64 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 21 E 8.62 4.37 0.00 1.88 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 2.11 2.13 0.00 22 F 7.72 5.00 0.00 3.20 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 23 R 8.80 4.11 0.00 1.93 1.94 0.00 2.94 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 24 P 0.00 5.05 0.00 2.18 2.50 0.00 3.67 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 25 G 7.85 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 0.00 0.00 0.00 26 D 8.45 4.62 0.00 2.70 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 27 T 7.53 4.82 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 1.05 0.00 0.00 28 V 6.69 5.19 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 0.92 0.00 0.00 1.14 0.00 0.00 29 R 8.71 4.24 0.00 1.90 1.69 0.00 3.37 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 30 V 7.34 3.27 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 0.77 0.00 0.00 0.92 0.00 0.00 31 S 7.78 4.65 0.00 4.20 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 32 Y 8.29 4.54 0.00 3.02 2.81 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 0.00 0.00 0.00 33 K 7.73 3.56 0.00 2.12 1.87 0.00 1.96 0.00 0.00 1.56 0.00 0.00 2.66 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.34 7.81 34 V 8.23 4.34 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 0.87 0.00 0.00 0.97 0.00 0.00 35 K 8.77 4.02 0.00 1.99 1.93 0.00 1.50 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.16 1.14 7.81 36 E 10.26 3.66 0.00 2.06 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 2.25 2.28 0.00 37 G 8.43 4.07 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 0.00 0.00 0.00 38 N 8.18 5.01 0.00 2.82 2.92 0.00 0.00 6.82 7.27 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 39 R 8.65 4.11 0.00 1.85 2.03 0.00 3.20 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 40 T 8.11 4.37 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 1.23 0.00 0.00 41 R 8.30 3.94 0.00 1.88 2.18 0.00 3.40 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.35 0.00 42 I 8.21 4.34 1.90 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 1.32 0.77 0.93 0.00 0.00 43 Q 7.83 3.64 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.23 6.79 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 44 D 8.43 5.00 0.00 2.59 2.65 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 45 F 8.43 4.36 0.00 3.30 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 46 E 8.40 4.02 0.00 1.92 1.72 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 2.23 2.33 0.00 47 G 8.35 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 48 I 8.08 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 1.29 0.85 1.00 0.00 0.00 49 V 8.27 4.49 2.38 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 0.91 0.00 0.00 1.24 0.00 0.00 50 I 8.69 3.80 1.72 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.69 0.61 0.00 0.00 51 R 7.49 4.74 0.00 1.59 1.33 0.00 2.84 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 52 I 8.47 4.95 1.82 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.85 0.84 0.00 0.00 53 R 8.65 4.49 0.00 1.91 1.84 0.00 3.28 0.00 0.00 3.20 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 54 R 8.55 4.42 0.00 1.84 1.84 0.00 3.27 0.00 0.00 3.12 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 55 N 8.72 4.46 0.00 2.61 2.71 0.00 0.00 7.07 7.98 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 56 G 8.10 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 57 F 7.55 4.95 0.00 2.93 2.94 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 58 N 6.56 3.41 0.00 2.63 2.12 0.00 0.00 5.93 7.71 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 59 T 8.04 3.81 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 1.31 0.00 0.00 60 T 8.20 5.50 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 1.27 0.00 0.00 61 F 8.52 5.53 0.00 3.43 3.15 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 62 T 9.01 5.30 4.07 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 1.07 0.00 0.00 63 V 7.57 5.57 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 0.83 0.00 0.00 0.35 0.00 0.00 64 R 8.44 5.21 0.00 1.81 1.72 0.00 3.37 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 65 K 9.39 4.65 0.00 1.90 1.33 0.00 1.56 0.00 0.00 1.50 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.17 1.27 7.81 66 V 8.21 4.16 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 0.88 0.00 0.00 0.92 0.00 0.00 67 S 8.17 4.16 0.00 3.65 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 8.55 3.96 0.00 3.15 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 0.00 0.00 0.00 69 G 9.55 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 70 V 7.71 3.66 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 0.96 0.00 0.00 0.94 0.00 0.00 71 G 8.51 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 72 V 9.85 4.86 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 1.16 0.00 0.00 0.98 0.00 0.00 73 E 8.62 5.85 0.00 1.84 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 2.13 2.09 0.00 74 R 7.89 4.22 0.00 0.67 0.66 0.00 2.74 0.00 0.00 3.06 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.50 0.00 75 I 7.58 4.38 1.71 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 1.16 0.39 0.83 0.00 0.00 76 F 8.25 5.25 0.00 2.15 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 77 P 0.00 4.29 0.00 2.22 2.07 0.00 3.88 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.13 0.00 78 L 8.73 4.29 0.00 2.11 1.94 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 79 H 7.80 4.86 0.00 3.04 3.38 0.00 5.93 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 9.21 4.15 0.00 4.02 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.24 0.00 0.54 1.56 0.00 3.53 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.97 0.00 82 L 7.92 4.47 0.00 1.43 1.60 0.77 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.18 3.73 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 1.46 0.49 0.91 0.00 0.00 84 Q 7.18 4.35 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.70 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 85 K 8.33 4.36 0.00 1.62 1.69 0.00 1.75 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.00 1.21 7.81 86 I 7.56 3.80 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 1.40 1.17 0.97 0.00 0.00 87 D 8.50 5.10 0.00 2.70 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 88 I 8.31 3.90 1.99 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 0.59 0.92 0.00 0.00 89 V 8.98 4.36 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 0.82 0.00 0.00 0.94 0.00 0.00 90 Q 8.61 4.50 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.24 0.00 0.00 0.00 0.00 0.00 2.57 2.41 0.00 91 R 8.78 4.40 0.00 1.85 1.70 0.00 3.27 0.00 0.00 3.55 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 92 G 9.48 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.79 4.08 0.00 1.93 2.11 0.00 3.43 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 94 A 7.74 3.71 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 95 R 8.18 4.25 0.00 1.75 1.95 0.00 3.34 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 1.63 1.54 0.00 96 R 7.48 4.74 0.00 1.79 1.78 0.00 2.65 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.51 0.00 97 A 9.03 4.18 1.18 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 98 K 9.39 3.98 0.00 1.93 1.98 0.00 1.60 0.00 0.00 1.83 0.00 0.00 3.20 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.69 1.44 7.81 99 L 8.28 5.07 0.00 2.38 1.97 1.02 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 8.33 4.26 0.00 3.04 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 0.00 101 F 8.21 4.55 0.00 3.27 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 0.00 102 I 7.19 3.65 1.63 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 1.37 0.72 0.16 0.00 0.00 103 R 7.68 3.78 0.00 1.84 1.88 0.00 3.27 0.00 0.00 3.27 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.93 0.00 104 N 8.28 4.24 0.00 2.73 2.92 0.00 0.00 6.64 7.85 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 0.00 105 L 7.26 4.60 0.00 1.42 1.58 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 106 S 9.02 4.90 0.00 3.91 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 0.00 107 D 7.62 4.82 0.00 2.96 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 0.00 108 R 8.04 3.93 0.00 2.06 2.22 0.00 2.98 0.00 0.00 3.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 109 E 9.18 4.00 0.00 2.19 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 0.00 2.35 2.55 0.00 110 I 7.27 3.68 2.02 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 1.41 0.43 0.88 0.00 0.00 111 R 7.54 4.29 0.00 2.00 2.04 0.00 3.05 0.00 0.00 3.28 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 112 R 8.05 4.39 0.00 1.96 2.11 0.00 3.15 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 2.00 0.00 113 K 7.97 4.32 0.00 2.02 2.17 0.00 1.73 0.00 0.00 2.12 0.00 0.00 3.22 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.58 1.86 7.81 114 L 7.93 4.92 0.00 1.67 1.66 0.96 1.08 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 0.00 115 R 8.43 4.05 0.00 1.82 1.62 0.00 3.42 0.00 0.00 3.25 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 116 A 8.72 4.34 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 0.00 117 D 8.02 4.60 0.00 2.70 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.69 4.02 0.00 1.92 1.98 0.00 3.22 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 119 K 7.55 4.44 0.00 1.77 2.04 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.53 7.81 120 R 7.90 4.68 0.00 1.86 1.98 0.00 3.20 0.00 0.00 3.01 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.80 0.00 121 I 8.34 3.83 2.14 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 1.73 1.63 0.95 0.00 0.00 122 D 8.03 4.38 0.00 2.73 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 0.00 123 Q 7.66 4.08 0.00 2.32 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.66 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 124 D 7.70 4.52 0.00 3.01 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 0.00 125 R 7.87 3.92 0.00 1.93 2.00 0.00 3.37 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.58 0.00 126 A 8.57 4.36 1.26 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 0.00 127 A 7.83 4.62 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 0.00 128 E 8.13 4.42 0.00 2.07 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 2.38 0.00 129 R 7.35 4.21 0.00 1.80 1.92 0.00 3.25 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 130 A 7.49 4.71 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 0.00 131 A 7.80 4.19 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 0.00 132 K 8.40 4.57 0.00 1.81 1.79 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.39 7.81 133 E 8.10 4.36 0.00 1.92 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 2.29 2.29 0.00 134 E 8.48 4.27 0.00 2.04 1.78 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 2.25 2.29 0.00 135 A 8.65 3.81 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 0.00 136 Q 7.68 4.55 0.00 1.97 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 7.22 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 137 K 7.58 4.44 0.00 1.73 1.69 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.35 1.43 7.81 *138 A 7.72 4.11 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 * Residues marked with a * may have inaccurate shift predictions.