NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *5 F 4.6455 8.1833 119.0052 56.6895 39.5630 176.0157 6 E 3.9751 7.9092 122.8434 57.1968 30.1205 175.8319 7 E 4.0833 8.4346 117.8082 59.1615 31.3015 179.0851 8 R 3.8255 7.9639 118.0691 57.7996 29.6607 181.8573 9 S 4.3293 7.2506 113.8605 60.5459 63.0422 174.8139 10 G 3.8624 8.8018 112.1695 45.6967 0.0000 173.5836 11 V 3.5139 7.3475 119.6418 62.2269 31.9211 175.5343 12 V 4.0568 8.0597 126.9108 60.4789 32.0739 173.1198 13 P 4.7462 0.0000 0.0000 62.1183 33.2903 174.8102 14 C 4.4734 8.3361 121.7314 57.3017 33.4790 173.5725 15 G 4.1214 8.6035 113.9620 46.3738 0.0000 172.1162 16 T 4.6045 8.6287 111.4140 58.6083 72.0218 173.2693 17 P 4.2400 0.0000 0.0000 64.4732 31.4335 177.5394 18 W 4.8864 6.8240 110.4110 55.4240 30.4129 177.5726 19 G 4.9120 6.2712 110.4975 46.1211 0.0000 174.8803 20 Q 5.1263 8.4942 123.0596 54.7377 32.0588 171.6669 21 W 5.8010 8.8913 116.8420 55.5245 32.4084 173.2908 22 Y 4.8392 8.6789 117.9898 56.9565 41.2814 172.5204 23 Q 5.4940 8.6813 116.8447 55.9446 31.9804 172.9305 24 T 4.8556 8.8195 109.0986 59.8526 72.0587 173.6826 25 L 4.1697 8.7571 120.2478 57.5838 41.6113 178.3155 26 E 4.4912 8.1718 115.6365 56.6675 30.9543 175.4685 27 E 4.6924 8.2780 116.9829 54.2465 33.4503 174.1552 28 V 4.8896 7.8924 119.5719 61.2077 34.2132 174.5822 29 F 4.7164 9.3184 125.9113 55.5725 41.9914 174.2480 30 I 4.9420 8.4530 123.2470 59.6927 40.1564 174.5458 31 E 4.7299 9.7446 128.0026 54.6680 31.7205 175.3614 32 V 4.8990 8.3866 125.1913 60.9017 33.2985 175.2077 33 Q 4.3155 9.3243 128.6786 56.2736 29.0275 176.6265 34 V 4.5733 8.2103 115.5735 58.4032 35.8276 173.7247 35 P 4.4335 0.0000 0.0000 62.2519 31.6848 176.2831 36 P 4.3131 0.0000 0.0000 65.2566 31.4103 177.5952 37 G 3.9715 7.9527 105.0865 45.6089 0.0000 173.8674 38 T 4.0495 7.7762 117.2719 63.4373 69.1925 174.0642 39 R 4.7434 8.7496 123.3236 53.8363 33.9018 176.5323 40 A 4.3533 8.8140 123.1639 55.5922 18.4359 180.1445 41 Q 4.1531 8.1082 112.2532 58.9070 28.8319 176.8183 42 D 4.5777 8.6162 118.0010 54.7772 41.2502 175.2125 43 I 4.5459 7.3008 120.7553 59.4901 38.7955 174.8641 44 Q 4.4727 8.6902 128.1436 54.2772 31.6295 173.6936 45 C 4.9056 8.5104 126.0836 57.6171 34.8127 172.8245 46 G 4.1301 8.8843 113.6594 44.3830 0.0000 171.8359 47 L 4.7956 8.7032 125.3544 53.3898 43.7764 175.9127 48 Q 4.6333 9.0820 123.3653 53.3844 31.7440 177.0343 49 S 4.2978 8.6336 112.9503 61.3675 62.4146 174.9875 50 R 4.8373 7.9056 116.5696 55.8729 32.1288 174.0747 51 H 5.4180 8.1781 112.3768 54.5992 33.7111 172.7749 52 V 5.0349 8.6440 113.1339 60.0610 36.5627 174.4788 53 A 5.0191 8.3486 122.7660 50.8936 23.2009 175.2474 54 L 5.0146 9.1446 124.1177 53.2676 45.8484 174.8506 55 A 5.0477 8.8824 127.2998 50.0233 22.6719 174.5834 56 V 4.3751 8.5025 121.7645 61.3426 34.3297 176.0322 57 G 4.0720 9.7466 117.9422 46.6725 0.0000 174.3256 58 G 3.8022 8.2081 104.8866 45.1507 0.0000 173.6934 59 R 4.3052 7.8911 121.7698 54.2122 30.7713 174.9548 60 E 4.4025 8.7119 127.0693 56.4573 30.1735 175.7291 61 I 4.2824 8.5159 127.2802 62.4309 39.2327 176.1342 62 L 4.5090 7.1595 122.2039 53.5633 45.5781 174.6974 63 K 4.6576 7.6251 123.6930 55.0273 35.4050 174.6570 64 G 3.9676 7.9788 113.5474 46.4125 0.0000 170.5125 65 K 4.7187 8.3335 121.2744 54.9941 32.9015 177.0720 66 L 4.1650 8.8274 128.3570 54.2656 42.2586 177.0710 67 F 4.1401 8.6348 123.6689 61.2817 39.3829 173.9666 68 D 4.4424 7.5159 117.0876 52.8805 44.0220 173.6611 69 S 4.8758 8.2692 115.3065 58.0056 64.1916 173.4085 70 T 4.6943 8.5167 111.2480 59.9270 72.4545 173.7608 71 I 4.1019 8.1743 122.5458 60.1604 37.5036 176.5567 72 A 3.9722 8.8259 131.4255 55.4479 18.2669 179.1173 73 D 4.5477 8.0471 112.5938 56.2624 41.0009 176.8319 74 E 4.3964 8.0283 117.6068 56.1143 30.3140 176.7677 75 G 3.7515 7.7407 108.8988 45.6249 0.0000 173.2137 76 T 4.7366 8.1913 112.4391 59.1749 71.9705 173.1519 77 W 5.2521 8.1661 118.9012 54.9768 31.1896 174.6401 78 T 4.5435 8.4806 109.5019 59.9407 71.2921 172.6740 79 L 4.6430 8.6504 125.5204 53.8780 43.2300 175.4818 80 E 4.7486 8.5854 124.8142 54.3583 32.4086 175.2701 81 D 4.6208 8.7132 123.8246 54.4052 41.4082 176.3472 82 R 4.6311 8.2513 125.3434 55.3364 30.7730 174.5663 83 K 3.8567 8.1787 116.8849 55.9949 32.7272 175.4226 *85 V 3.7533 7.9522 119.5063 62.5222 31.9642 174.0758 86 R 4.5295 8.5679 127.0911 54.4342 31.6351 174.6443 87 I 4.4410 8.2416 125.7394 59.3114 39.4489 174.9827 88 V 4.2888 8.2965 123.9429 60.9257 33.5050 174.4516 89 L 4.7182 8.3120 126.4768 53.1673 44.1344 175.8534 90 T 4.4203 8.1279 118.3678 61.4062 69.6140 175.0124 91 K 4.2289 8.4303 126.5710 56.7798 32.8115 177.4925 92 T 4.0177 8.8227 120.0618 65.8296 68.6838 174.9301 93 K 4.6233 8.0364 120.2608 54.8632 33.5365 176.4302 94 R 4.6622 8.4349 124.8532 55.9189 31.1930 175.6971 95 D 4.7283 8.6356 117.3749 52.9446 42.1590 177.9426 96 A 3.9125 8.4648 123.1468 55.0697 18.4147 178.6533 97 A 4.2628 7.9874 116.3811 53.4154 19.0644 177.2820 98 N 4.9444 7.9657 114.8014 52.3956 38.5894 175.5673 99 C 4.4345 7.8650 118.5059 58.1111 32.2784 172.7525 100 W 4.4434 8.8991 128.2313 57.0867 29.3324 176.4340 101 T 4.4025 8.5442 112.0024 62.3457 69.2989 174.1985 102 S 5.0699 7.5524 114.8976 57.1216 65.8825 174.2403 103 L 4.3949 8.7932 123.5553 57.8771 41.9681 177.1057 104 L 4.7841 7.5423 116.0895 52.4012 44.0660 176.0867 105 E 4.0276 8.8326 121.0707 59.2521 29.3632 178.2844 106 S 4.7271 7.3416 112.6751 57.5198 64.4206 173.1386 107 E 4.3042 8.2502 116.8271 56.6294 32.6266 173.8241 108 Y 3.6696 7.6557 118.7170 59.1360 35.1181 169.7358 109 A 4.8542 7.6699 119.7265 51.3215 20.4053 178.5338 110 A 4.4292 8.7205 123.7934 51.2495 19.5536 177.5181 111 D 4.5369 8.7149 121.3774 52.5426 40.8194 175.5872 112 P 4.0746 0.0000 0.0000 65.4466 31.0044 179.1346 113 W 4.1536 8.0602 117.3258 59.7719 28.9740 178.6556 114 V 4.2166 8.2206 118.5039 65.6352 30.9827 177.7659 115 Q 4.1368 8.1027 117.3577 58.8492 28.7482 177.9106 116 D 4.4929 7.8876 118.7241 57.1748 41.3349 178.8014 117 Q 4.2377 8.1911 115.4633 56.8162 28.5077 178.0536 *119 Q 4.2465 8.0216 123.2974 56.2603 31.0600 177.3941 120 R 3.8963 8.1394 116.9138 59.1848 29.9913 179.0086 121 K 3.9691 8.0259 119.2260 59.2925 32.1458 179.0224 122 L 3.9698 7.7845 118.9016 58.0048 41.5721 179.1990 123 T 3.8593 8.1350 116.0092 66.6275 68.3099 176.3608 124 L 3.9025 7.9368 122.0112 58.0844 42.1625 178.3685 125 E 3.8048 8.5512 119.7074 59.4541 29.4892 178.9176 126 R 3.8635 8.1631 118.6229 59.1930 30.1256 178.1935 127 F 4.0385 8.4033 120.8000 61.3938 39.1838 177.0646 128 Q 3.4248 7.8644 116.5490 58.7636 28.5333 178.5612 129 K 4.0212 7.8185 119.2963 59.2358 32.3144 178.0320 130 E 4.2493 8.0049 116.7317 56.9385 31.2624 176.1962 131 N 5.1192 7.6724 115.9015 51.0287 39.0851 173.6972 132 P 4.3891 0.0000 0.0000 65.5617 32.0059 178.8047 133 G 3.6560 8.1145 106.8715 47.6568 0.0000 173.7895 134 F 4.0738 8.2599 120.8629 57.4411 39.7012 175.2641 135 D 4.9100 8.3228 123.0872 52.1360 40.7178 176.2176 136 F 4.8998 8.6281 124.7352 55.7600 39.8312 175.8911 137 S 4.2151 7.9541 120.4113 59.0057 61.9958 173.8968 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 *5 F 8.18 4.65 0.00 2.22 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 0.00 0.00 0.00 0.00 6 E 7.91 3.98 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 7 E 8.43 4.08 0.00 2.23 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 0.00 2.36 1.87 0.00 8 R 7.96 3.83 0.00 1.76 1.98 0.00 3.27 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.47 0.00 9 S 7.25 4.33 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 10 G 8.80 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 11 V 7.35 3.51 1.63 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 0.18 0.00 0.00 0.74 0.00 0.00 12 V 8.06 4.06 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 0.82 0.00 0.00 0.94 0.00 0.00 13 P 0.00 4.75 0.00 2.02 1.91 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.81 0.00 14 C 8.34 4.47 0.00 2.25 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.60 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.63 4.60 3.16 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 0.00 0.00 0.00 0.94 0.00 0.00 17 P 0.00 4.24 0.00 2.00 2.11 0.00 3.11 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 18 W 6.82 4.89 0.00 3.63 3.39 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 19 G 6.27 4.91 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 20 Q 8.49 5.13 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.61 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 21 W 8.89 5.80 0.00 3.67 3.34 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 22 Y 8.68 4.84 0.00 2.92 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 23 Q 8.68 5.49 0.00 2.35 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 24 T 8.82 4.86 4.38 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 1.40 0.00 0.00 25 L 8.76 4.17 0.00 1.70 1.81 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.17 4.49 0.00 2.00 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 2.26 2.34 0.00 27 E 8.28 4.69 0.00 1.86 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 2.10 2.19 0.00 28 V 7.89 4.89 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 0.88 0.00 0.00 0.98 0.00 0.00 29 F 9.32 4.72 0.00 1.51 2.22 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 30 I 8.45 4.94 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.62 0.96 0.00 0.00 31 E 9.74 4.73 0.00 2.11 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 2.42 2.44 0.00 32 V 8.39 4.90 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 0.63 0.00 0.00 0.58 0.00 0.00 33 Q 9.32 4.32 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.48 0.00 0.00 0.00 0.00 0.00 2.52 2.57 0.00 34 V 8.21 4.57 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 0.78 0.00 0.00 0.95 0.00 0.00 35 P 0.00 4.43 0.00 2.18 1.98 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 36 P 0.00 4.31 0.00 2.05 2.13 0.00 3.68 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 2.04 2.10 0.00 37 G 7.95 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.78 4.05 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 1.20 0.00 0.00 39 R 8.75 4.74 0.00 1.95 1.81 0.00 3.16 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 40 A 8.81 4.35 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 41 Q 8.11 4.15 0.00 2.20 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 42 D 8.62 4.58 0.00 2.81 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 43 I 7.30 4.55 1.44 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.46 -0.38 0.00 0.00 44 Q 8.69 4.47 0.00 2.04 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 45 C 8.51 4.91 0.00 2.15 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 0.00 0.00 0.00 46 G 8.88 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 47 L 8.70 4.80 0.00 1.54 1.62 1.01 0.92 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 48 Q 9.08 4.63 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 49 S 8.63 4.30 0.00 3.84 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 50 R 7.91 4.84 0.00 1.88 1.74 0.00 3.25 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 51 H 8.18 5.42 0.00 3.16 3.09 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.64 5.03 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 0.74 0.00 0.00 0.85 0.00 0.00 53 A 8.35 5.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 9.14 5.01 0.00 1.43 1.18 0.60 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.88 5.05 1.10 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 56 V 8.50 4.38 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 0.97 0.00 0.00 0.81 0.00 0.00 57 G 9.75 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 58 G 8.21 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 0.00 0.00 0.00 59 R 7.89 4.31 0.00 1.80 1.96 0.00 3.10 0.00 0.00 3.09 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 60 E 8.71 4.40 0.00 1.92 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 2.23 2.26 0.00 61 I 8.52 4.28 1.60 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 1.07 0.89 0.70 0.00 0.00 62 L 7.16 4.51 0.00 0.98 0.96 0.87 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.63 4.66 0.00 1.69 1.68 0.00 2.11 0.00 0.00 1.69 0.00 0.00 2.68 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.26 1.36 7.81 64 G 7.98 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.33 4.72 0.00 1.73 1.66 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.75 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.23 1.25 7.81 66 L 8.83 4.16 0.00 1.62 1.62 0.87 0.57 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 67 F 8.63 4.14 0.00 2.81 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 68 D 7.52 4.44 0.00 2.59 2.55 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 69 S 8.27 4.88 0.00 3.89 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 70 T 8.52 4.69 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 1.18 0.00 0.00 71 I 8.17 4.10 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 1.27 0.89 0.90 0.00 0.00 72 A 8.83 3.97 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.05 4.55 0.00 2.65 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 74 E 8.03 4.40 0.00 2.06 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 2.26 2.22 0.00 75 G 7.74 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 76 T 8.19 4.74 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 1.19 0.00 0.00 77 W 8.17 5.25 0.00 3.38 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 78 T 8.48 4.54 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 1.15 0.00 0.00 79 L 8.65 4.64 0.00 1.92 1.79 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.59 4.75 0.00 2.01 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 2.28 2.31 0.00 81 D 8.71 4.62 0.00 2.69 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 82 R 8.25 4.63 0.00 1.72 1.85 0.00 3.34 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 83 K 8.18 3.86 0.00 1.77 1.75 0.00 1.87 0.00 0.00 1.64 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.45 7.81 *85 V 7.95 3.75 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 0.81 0.00 0.00 0.93 0.00 0.00 86 R 8.57 4.53 0.00 1.76 1.77 0.00 3.22 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 87 I 8.24 4.44 1.84 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 0.75 0.90 0.00 0.00 88 V 8.30 4.29 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 0.78 0.00 0.00 0.89 0.00 0.00 89 L 8.31 4.72 0.00 1.52 1.53 0.98 0.91 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 90 T 8.13 4.42 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 91 K 8.43 4.23 0.00 1.74 2.00 0.00 1.65 0.00 0.00 1.83 0.00 0.00 2.13 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.21 1.21 7.81 92 T 8.82 4.02 4.30 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 1.24 0.00 0.00 93 K 8.04 4.62 0.00 1.80 1.95 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.46 7.81 94 R 8.43 4.66 0.00 1.75 1.88 0.00 3.19 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 95 D 8.64 4.73 0.00 2.82 2.59 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 96 A 8.46 3.91 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 97 A 7.99 4.26 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 98 N 7.97 4.94 0.00 2.89 3.00 0.00 0.00 6.87 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 99 C 7.86 4.43 0.00 3.12 2.95 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 0.00 100 W 8.90 4.44 0.00 3.21 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 0.00 101 T 8.54 4.40 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 1.25 0.00 0.00 102 S 7.55 5.07 0.00 4.28 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 0.00 103 L 8.79 4.39 0.00 1.79 2.00 1.08 0.97 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 0.00 104 L 7.54 4.78 0.00 1.73 1.59 1.10 1.07 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 0.00 105 E 8.83 4.03 0.00 1.84 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 2.23 2.26 0.00 106 S 7.34 4.73 0.00 3.77 3.72 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 0.00 107 E 8.25 4.30 0.00 1.68 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 1.47 1.70 0.00 108 Y 7.66 3.67 0.00 3.28 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 0.00 109 A 7.67 4.85 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 0.00 110 A 8.72 4.43 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 0.00 111 D 8.71 4.54 0.00 2.87 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 0.00 112 P 0.00 4.07 0.00 1.70 1.85 0.00 3.59 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 113 W 8.06 4.15 0.00 3.62 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 0.00 114 V 8.22 4.22 2.24 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 1.23 0.00 0.00 1.08 0.00 0.00 115 Q 8.10 4.14 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 116 D 7.89 4.49 0.00 2.67 2.86 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 0.00 117 Q 8.19 4.24 0.00 2.33 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.16 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 *119 Q 8.02 4.25 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.68 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 120 R 8.14 3.90 0.00 2.05 1.95 0.00 3.21 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 121 K 8.03 3.97 0.00 1.87 1.76 0.00 1.48 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.47 7.81 122 L 7.78 3.97 0.00 1.88 1.68 0.87 0.75 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 0.00 123 T 8.14 3.86 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 1.18 0.00 0.00 124 L 7.94 3.90 0.00 1.78 1.86 0.86 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.55 3.80 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 126 R 8.16 3.86 0.00 2.08 2.14 0.00 3.19 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 127 F 8.40 4.04 0.00 3.23 3.08 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 0.00 0.00 0.00 128 Q 7.86 3.42 0.00 1.93 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.75 0.00 0.00 0.00 0.00 0.00 1.16 1.65 0.00 129 K 7.82 4.02 0.00 1.82 1.94 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.45 7.81 130 E 8.00 4.25 0.00 1.92 1.90 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 2.29 2.41 0.00 131 N 7.67 5.12 0.00 2.62 2.72 0.00 0.00 6.59 9.08 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 0.00 132 P 0.00 4.39 0.00 2.20 2.21 0.00 3.79 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 133 G 8.11 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 0.00 134 F 8.26 4.07 0.00 3.10 2.49 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 0.00 0.00 0.00 135 D 8.32 4.91 0.00 2.69 2.46 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 0.00 136 F 8.63 4.90 0.00 3.06 3.17 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 0.00 137 S 7.95 4.22 0.00 3.85 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.