NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.1656 8.1631 115.2383 62.1115 67.7237 172.4989 3 G 3.8511 7.5892 113.3539 43.0094 0.0000 168.4206 4 H 4.7889 10.3084 118.0451 54.5012 30.7712 174.1406 5 I 4.1973 8.5555 123.9449 62.1514 39.2671 175.4261 6 D 5.0746 7.7210 116.9451 51.3256 43.9832 173.8287 7 P 4.5412 0.0000 0.0000 62.6368 32.5327 176.8753 8 T 4.3598 8.1910 111.0415 60.9510 71.5303 175.9905 9 K 4.0963 8.5008 121.6656 60.2619 32.5678 179.1918 10 E 4.0352 8.1317 119.4192 59.2103 29.4987 179.2244 11 V 3.9573 7.6427 119.8192 65.2793 31.6474 177.8622 12 F 4.0427 8.5121 120.3022 61.0207 39.0551 176.9991 13 A 4.0428 8.1091 120.2300 55.3328 17.9342 179.5477 14 Q 3.9312 7.9606 116.1598 58.9350 28.4894 179.0134 15 F 4.0645 7.8152 120.8150 61.4960 39.5402 177.2508 16 R 3.8532 7.7361 115.8952 58.9291 29.8343 178.5663 17 A 4.1940 7.9621 120.5040 54.0274 19.4809 178.1215 18 N 4.5662 7.4997 116.3887 52.0058 37.2144 174.2207 19 D 4.7778 7.7400 125.8572 51.8092 40.6030 177.7930 20 R 3.9095 7.3155 114.7791 57.0464 29.7904 175.9438 21 E 3.9114 8.4711 121.5041 56.6563 30.2868 175.2713 22 G 4.2400 8.7617 110.4574 42.2168 0.0000 171.5025 23 P 4.8204 0.0000 0.0000 62.7330 32.4511 175.3573 24 I 4.6969 8.7046 113.4690 59.7918 40.7182 174.6705 25 H 5.7373 8.8108 122.4350 53.2408 32.5502 172.3767 *27 L 4.2892 8.2244 119.9036 55.7610 43.5461 175.7518 28 N 5.0281 8.7684 124.6538 51.4784 40.7354 173.9400 29 L 4.5851 8.3193 124.2028 52.6408 44.3679 175.6576 30 V 4.6603 8.7646 124.3061 60.9828 34.6420 173.9160 31 R 4.9845 9.3861 129.0265 54.7294 31.8348 174.7780 32 L 4.9863 9.4109 127.2279 53.3577 43.6467 177.0041 33 R 4.0367 8.8781 121.7960 55.9275 31.1324 175.7881 34 P 4.2585 0.0000 0.0000 66.1302 32.2031 176.6473 35 R 4.9454 7.7414 117.9549 54.4777 31.4076 177.3979 36 A 4.1053 8.7324 127.0188 51.3081 18.7135 178.2201 37 A 4.5191 8.5581 126.2798 50.8321 17.8359 176.0021 38 Y 4.4270 7.9110 119.3995 55.7295 39.8996 175.1471 39 P 4.2686 0.0000 0.0000 66.1408 31.6500 177.4244 40 D 4.4097 8.3213 116.1571 56.4014 40.6324 178.4468 41 G 4.0144 8.1080 105.2674 44.6380 0.0000 173.7875 42 R 3.8529 7.6731 115.5847 56.7999 29.5767 175.7971 43 E 4.5419 8.5850 120.1112 55.9809 30.2832 175.6255 44 T 4.9201 8.3166 120.2840 61.9586 73.6986 173.6923 45 T 4.5164 8.7697 113.6768 61.4627 70.0061 175.7320 46 G 4.1121 9.0506 111.0923 47.4744 0.0000 175.8421 47 A 4.1467 8.0401 122.5265 55.0654 18.4575 179.4293 48 E 3.9621 8.2960 116.7466 59.5468 29.5419 179.5161 49 A 4.1889 8.2232 120.9412 55.2713 18.3594 179.0952 50 Y 4.0349 8.6706 118.4012 60.5829 38.8695 177.7575 51 A 3.9684 8.5535 121.9933 55.4180 18.4690 179.4897 52 A 3.9152 8.0198 119.0278 55.2244 18.2614 179.1004 53 Y 4.1614 7.9401 118.1780 60.8647 38.8964 178.4784 54 G 3.2133 7.7772 106.6392 47.6542 0.0000 175.2593 55 R 3.7937 7.9015 120.3739 59.3410 30.2019 177.9743 56 D 4.5021 7.9683 116.7550 56.2173 41.2815 178.2298 57 S 4.5599 8.1521 114.6731 59.7490 63.3548 176.4921 58 G 3.6291 7.8935 110.0920 47.6646 0.0000 173.9030 59 P 4.2406 0.0000 0.0000 64.8911 31.1709 179.0090 60 V 3.6022 7.6843 116.8897 65.8500 31.4723 177.8185 61 S 4.1828 8.0615 112.9682 61.4645 62.3016 175.7757 62 E 4.0633 8.3950 122.1318 59.3655 29.1723 178.7752 63 R 4.0023 7.9215 117.6675 58.5027 30.1245 177.4593 64 L 4.6454 7.4327 116.5282 54.2397 42.1140 177.3081 65 G 3.9673 8.0419 107.7164 44.9248 0.0000 174.2766 66 G 3.8174 7.6732 108.0956 43.4868 0.0000 173.2945 *68 V 3.9553 7.9616 117.7434 62.9914 31.7039 175.0737 69 V 4.3338 8.3484 120.1525 61.6370 32.8084 175.9758 70 W 5.0891 7.9847 129.1007 56.5312 34.0027 172.7182 71 Q 4.3091 7.4432 125.5997 54.5997 31.5001 173.5734 72 G 3.9854 7.8936 111.8203 44.3524 0.0000 171.5939 73 Q 4.5062 8.4974 122.6745 54.0196 29.8665 175.4287 74 F 4.3326 9.0306 128.1321 58.6592 40.0334 174.1001 75 E 4.5471 7.7800 125.6507 57.4040 32.7717 175.6853 76 L 3.7299 6.1882 121.8869 54.7563 46.0541 175.0748 *78 L 4.3492 8.7198 115.4922 54.0316 43.5886 176.9786 79 I 4.3979 8.7161 117.9323 58.6729 39.3662 175.4324 80 G 4.2510 8.4216 111.8242 42.5457 0.0000 170.2538 81 P 4.5701 0.0000 0.0000 62.0876 32.1396 177.4910 82 Q 4.1469 8.5814 119.9565 58.4617 28.8482 177.0095 83 D 4.3819 8.0099 115.7946 54.2548 39.7684 175.4209 84 E 4.0386 7.8881 122.5047 54.8502 30.1220 174.6039 85 H 4.0111 7.1566 120.3042 53.4578 31.4978 172.6321 86 W 4.8994 6.3115 119.6681 55.1687 32.4668 175.0436 87 D 4.6908 9.2287 121.7579 55.8907 41.7041 176.8677 88 H 5.1684 8.0913 114.6883 53.9198 33.0184 173.0360 89 V 4.9578 8.4283 121.9782 61.4792 34.8041 173.7572 90 F 5.2262 8.4519 120.9651 56.2717 41.9715 172.7193 91 I 4.9215 9.4740 120.6311 59.5510 39.4868 174.5079 92 A 5.1490 8.8419 128.2791 50.1586 21.8450 174.5528 93 E 5.0138 8.5151 122.5006 54.7663 32.3784 174.1883 94 Y 5.2021 8.9237 123.0824 55.6510 41.7779 174.8145 95 P 4.5449 0.0000 0.0000 64.3076 32.1370 175.8713 96 S 4.5957 7.5428 112.2493 56.1701 65.6379 175.9068 97 V 3.5276 8.3465 120.4262 66.1283 31.1716 177.8957 98 A 4.0569 8.0837 119.8217 55.1975 17.9460 179.2482 99 A 3.9962 8.3776 118.7917 55.3598 18.5450 179.3664 100 F 3.7880 7.7824 116.9361 61.2211 39.8272 177.3293 101 V 4.0410 8.2291 118.0525 65.7528 31.4144 178.2997 102 E 4.1801 8.3401 118.6103 56.2553 29.2423 178.5730 *104 I 3.5747 7.7718 112.7021 60.3174 39.4176 176.2536 105 R 4.2012 7.5158 118.9455 57.4940 30.7893 177.0334 106 D 4.4347 7.8304 118.4516 53.6402 42.2579 175.1210 107 P 4.3943 0.0000 0.0000 66.0318 31.3223 178.7996 108 V 3.5929 8.4159 118.4148 65.9637 31.3276 177.4519 109 Y 4.0092 8.0984 118.8285 60.7379 38.5610 177.7734 110 R 3.9039 8.4751 118.3644 59.0305 30.2606 178.6258 111 E 4.0931 7.9839 118.4886 59.1105 29.5863 178.6982 112 A 4.0966 7.8601 121.0732 55.2937 18.3973 180.0750 113 V 3.1486 7.7085 117.3801 64.3236 31.4208 178.4946 114 K 3.9376 7.7058 119.3392 59.9875 31.5740 178.7402 115 H 4.2164 8.0922 115.8719 58.6086 28.8996 177.4139 116 R 3.8477 7.4741 120.1119 59.4980 29.6235 178.4630 117 Q 3.9044 7.7951 116.5148 58.8277 28.8874 178.3527 118 A 4.0686 7.9264 122.4839 53.9366 18.1815 179.3872 119 A 4.0144 7.7779 119.4374 53.2375 18.8365 177.5999 120 V 4.3380 7.1644 116.6953 62.0779 32.4710 175.0370 121 E 4.2671 9.2591 129.0052 58.7973 30.8140 175.3723 122 D 4.8446 7.8472 116.3851 53.7088 44.7317 173.9875 123 S 5.1571 8.4093 116.5886 57.9759 66.3668 173.9993 124 R 4.6349 8.5944 119.2221 54.3186 34.1208 174.9300 125 L 4.8395 8.3443 123.1188 53.7971 44.4713 175.0536 126 I 4.4083 8.5385 128.1874 59.4699 38.8777 175.4644 127 R 4.5301 8.5650 127.8410 54.5299 30.8671 174.6951 128 L 4.6218 9.3017 128.3604 53.9204 42.3692 175.4545 *130 P 4.2839 0.0000 0.0000 63.2778 32.2410 175.5447 131 L 4.7158 8.0329 121.5680 52.2724 43.8396 176.4683 132 K 3.9739 8.3748 120.7791 56.1672 32.6618 176.1971 133 P 4.7604 0.0000 0.0000 62.6281 29.4140 176.7250 134 G 3.7100 9.6496 111.2302 45.7692 0.0000 170.8896 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 2 T 8.16 4.17 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 1.19 0.00 0.00 3 G 7.59 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 4 H 10.31 4.79 0.00 3.34 3.26 0.00 5.56 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 5 I 8.56 4.20 1.86 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 1.52 0.61 0.87 0.00 0.00 6 D 7.72 5.07 0.00 2.60 2.51 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 7 P 0.00 4.54 0.00 2.26 2.09 0.00 3.73 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 1.91 1.94 0.00 8 T 8.19 4.36 4.37 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 1.24 0.00 0.00 9 K 8.50 4.10 0.00 2.05 2.14 0.00 1.53 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.56 7.81 10 E 8.13 4.04 0.00 2.11 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 2.42 2.45 0.00 11 V 7.64 3.96 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 1.17 0.00 0.00 0.96 0.00 0.00 12 F 8.51 4.04 0.00 3.30 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.11 4.04 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 14 Q 7.96 3.93 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 15 F 7.82 4.06 0.00 2.76 2.80 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 16 R 7.74 3.85 0.00 1.92 1.93 0.00 3.30 0.00 0.00 3.46 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.41 0.00 17 A 7.96 4.19 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 18 N 7.50 4.57 0.00 2.62 2.57 0.00 0.00 7.14 8.48 0.00 0.00 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 D 7.74 4.78 0.00 2.71 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.32 3.91 0.00 1.93 1.93 0.00 3.33 0.00 0.00 3.03 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 21 E 8.47 3.91 0.00 1.93 1.87 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 2.28 2.30 0.00 22 G 8.76 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 0.00 0.00 0.00 0.00 23 P 0.00 4.82 0.00 2.10 2.12 0.00 3.70 0.00 0.00 3.71 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 24 I 8.70 4.70 1.88 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 1.48 1.16 0.82 0.00 0.00 25 H 8.81 5.74 0.00 3.08 3.29 0.00 5.67 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *27 L 8.22 4.29 0.00 1.76 1.54 1.02 0.47 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 N 8.77 5.03 0.00 1.44 2.13 0.00 0.00 6.39 6.60 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 29 L 8.32 4.59 0.00 0.27 0.13 0.43 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.76 4.66 2.03 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 0.66 0.00 0.00 1.00 0.00 0.00 31 R 9.39 4.98 0.00 1.76 1.92 0.00 2.97 0.00 0.00 2.78 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.22 0.00 32 L 9.41 4.99 0.00 1.57 1.54 0.85 0.80 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 33 R 8.88 4.04 0.00 1.72 1.94 0.00 3.27 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 34 P 0.00 4.26 0.00 2.07 2.10 0.00 3.54 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 35 R 7.74 4.95 0.00 1.57 1.70 0.00 3.27 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.17 0.00 36 A 8.73 4.11 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.56 4.52 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 38 Y 7.91 4.43 0.00 3.05 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 39 P 0.00 4.27 0.00 2.08 2.16 0.00 3.88 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 40 D 8.32 4.41 0.00 2.58 2.76 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 41 G 8.11 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.67 3.85 0.00 1.83 1.85 0.00 2.67 0.00 0.00 2.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.38 0.00 43 E 8.58 4.54 0.00 1.89 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 2.29 2.29 0.00 44 T 8.32 4.92 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 1.31 0.00 0.00 45 T 8.77 4.52 4.28 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 1.24 0.00 0.00 46 G 9.05 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.04 4.15 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 48 E 8.30 3.96 0.00 2.27 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 2.37 2.38 0.00 49 A 8.22 4.19 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 50 Y 8.67 4.03 0.00 3.18 3.12 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 51 A 8.55 3.97 1.44 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 0.00 0.00 52 A 8.02 3.92 1.17 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 0.00 0.00 53 Y 7.94 4.16 0.00 2.90 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 54 G 7.78 3.21 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 55 R 7.90 3.79 0.00 1.80 2.08 0.00 3.22 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 56 D 7.97 4.50 0.00 2.66 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 57 S 8.15 4.56 0.00 4.14 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 58 G 7.89 3.63 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 0.00 0.00 0.00 59 P 0.00 4.24 0.00 2.16 2.10 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 60 V 7.68 3.60 2.27 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 1.10 0.00 0.00 0.99 0.00 0.00 61 S 8.06 4.18 0.00 4.02 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 62 E 8.39 4.06 0.00 2.05 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 0.00 2.30 2.31 0.00 63 R 7.92 4.00 0.00 2.10 2.12 0.00 3.30 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 64 L 7.43 4.65 0.00 1.68 1.73 0.99 1.01 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 65 G 8.04 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 66 G 7.67 3.82 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 0.00 0.00 0.00 *68 V 7.96 3.96 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 0.89 0.00 0.00 0.78 0.00 0.00 69 V 8.35 4.33 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 0.74 0.00 0.00 0.94 0.00 0.00 70 W 7.98 5.09 0.00 3.38 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 71 Q 7.44 4.31 0.00 1.90 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.56 0.00 0.00 0.00 0.00 0.00 2.04 2.40 0.00 72 G 7.89 3.99 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 0.00 0.00 0.00 73 Q 8.50 4.51 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 74 F 9.03 4.33 0.00 3.19 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 75 E 7.78 4.55 0.00 1.80 1.83 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 2.17 2.42 0.00 76 L 6.19 3.73 0.00 1.38 1.17 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 *78 L 8.72 4.35 0.00 1.63 1.72 0.92 0.88 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 79 I 8.72 4.40 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 1.36 0.81 0.93 0.00 0.00 80 G 8.42 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 0.00 0.00 0.00 0.00 81 P 0.00 4.57 0.00 2.38 2.19 0.00 3.75 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 82 Q 8.58 4.15 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.08 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 83 D 8.01 4.38 0.00 2.72 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 84 E 7.89 4.04 0.00 2.03 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 1.97 2.04 0.00 85 H 7.16 4.01 0.00 2.44 2.92 0.00 5.72 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 86 W 6.31 4.90 0.00 3.15 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 87 D 9.23 4.69 0.00 2.47 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 H 8.09 5.17 0.00 3.04 3.37 0.00 5.56 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 89 V 8.43 4.96 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 1.32 0.00 0.00 1.13 0.00 0.00 90 F 8.45 5.23 0.00 3.30 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 91 I 9.47 4.92 2.13 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.36 0.90 0.00 0.00 92 A 8.84 5.15 1.51 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 0.00 0.00 93 E 8.52 5.01 0.00 2.01 1.75 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 2.31 2.43 0.00 94 Y 8.92 5.20 0.00 3.12 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 95 P 0.00 4.54 0.00 2.23 2.22 0.00 4.02 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 96 S 7.54 4.60 0.00 3.99 3.99 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 97 V 8.35 3.53 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 0.62 0.00 0.00 0.53 0.00 0.00 98 A 8.08 4.06 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 99 A 8.38 4.00 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 0.00 0.00 0.00 0.00 0.00 100 F 7.78 3.79 0.00 2.83 3.35 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 0.00 101 V 8.23 4.04 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 1.14 0.00 0.00 1.26 0.00 0.00 102 E 8.34 4.18 0.00 2.18 1.94 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 2.55 2.48 0.00 *104 I 7.77 3.57 1.67 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.52 0.20 0.00 0.00 105 R 7.52 4.20 0.00 2.05 2.03 0.00 3.21 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 106 D 7.83 4.43 0.00 2.93 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 0.00 107 P 0.00 4.39 0.00 2.31 2.31 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 108 V 8.42 3.59 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 1.00 0.00 0.00 0.95 0.00 0.00 109 Y 8.10 4.01 0.00 3.11 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 0.00 110 R 8.48 3.90 0.00 1.94 1.99 0.00 3.23 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.92 0.00 111 E 7.98 4.09 0.00 2.08 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 2.32 2.46 0.00 112 A 7.86 4.10 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.71 3.15 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 0.72 0.00 0.00 0.70 0.00 0.00 114 K 7.71 3.94 0.00 1.85 1.88 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.59 7.81 115 H 8.09 4.22 0.00 3.33 3.66 0.00 5.66 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 R 7.47 3.85 0.00 0.67 1.52 0.00 2.75 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.37 0.00 117 Q 7.80 3.90 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 118 A 7.93 4.07 0.33 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 0.00 119 A 7.78 4.01 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.16 4.34 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 0.89 0.00 0.00 1.06 0.00 0.00 121 E 9.26 4.27 0.00 2.12 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 2.24 2.22 0.00 122 D 7.85 4.84 0.00 2.83 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.41 5.16 0.00 3.85 3.82 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 0.00 124 R 8.59 4.63 0.00 1.28 1.63 0.00 3.17 0.00 0.00 3.05 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.54 0.00 125 L 8.34 4.84 0.00 1.54 1.49 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 126 I 8.54 4.41 1.81 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 1.04 0.64 0.88 0.00 0.00 127 R 8.57 4.53 0.00 1.90 1.86 0.00 3.10 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 128 L 9.30 4.62 0.00 1.70 1.08 1.01 0.97 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 *130 P 0.00 4.28 0.00 1.95 1.82 0.00 3.54 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.44 0.00 131 L 8.03 4.72 0.00 1.57 1.52 0.89 0.90 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 0.00 132 K 8.37 3.97 0.00 1.80 1.74 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.52 1.45 7.81 133 P 0.00 4.76 0.00 2.02 2.01 0.00 3.61 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 2.01 2.06 0.00 134 G 9.65 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.