NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 40 I 4.1333 8.0249 121.4515 61.0396 38.5011 175.2588 41 K 4.1187 8.3659 124.6421 52.9335 33.0527 174.2148 42 P 4.2812 0.0000 0.0000 62.3335 32.9458 174.9637 43 D 4.3276 7.9579 118.2802 53.8879 42.0614 175.6466 44 Y 4.2945 8.7337 122.2138 57.9629 39.0345 177.5554 45 L 3.0741 7.8365 122.9720 57.4812 42.0080 178.3320 46 E 4.6520 7.5955 113.8921 55.9703 30.2885 175.0378 47 Y 4.2220 7.4248 121.2326 57.6059 39.2510 175.6764 48 D 4.7910 8.0649 124.9404 54.1494 42.0496 174.8523 49 D 4.9322 6.7209 117.8678 52.5469 43.9967 175.1737 50 L 4.4825 8.1436 120.8039 54.6420 42.6519 174.3827 51 L 4.7649 9.3238 126.4274 52.3466 44.2058 177.7231 52 D 4.4511 8.8182 119.7369 57.7591 40.6684 178.9167 53 R 4.0511 7.9256 113.2739 58.1537 29.8456 176.0966 54 D 4.7230 7.8031 119.1244 52.9981 41.1292 176.2502 55 E 4.3082 8.6860 124.8511 55.6510 31.2213 177.1056 56 M 3.9584 8.7244 123.3874 58.8684 32.3208 178.1701 57 F 4.1380 8.2473 120.1936 61.5349 39.6763 177.0603 58 T 4.2139 7.9435 116.3106 66.0923 68.2184 176.3900 59 I 3.3722 7.5654 121.6456 64.4074 37.0266 178.5526 60 L 3.7798 7.8441 119.6420 57.4686 41.3172 179.2378 61 E 4.0896 8.2543 119.0539 59.8031 29.4517 179.4529 62 E 4.0402 8.4002 118.3585 59.2575 28.9952 178.7115 63 Y 2.9188 8.1427 119.9187 60.5507 38.6881 178.4173 64 F 4.2749 8.0617 118.7285 60.4352 38.9663 177.4423 65 M 2.5500 7.8889 117.8956 58.3629 31.8861 178.0181 66 Y 4.0652 7.8782 117.2018 60.9534 38.1682 178.3556 67 R 4.0217 8.0475 120.1173 59.4043 29.9744 178.8690 68 G 3.7697 8.2492 104.6352 46.9704 0.0000 174.6670 69 L 4.5341 7.5942 119.5471 55.8808 42.9746 177.9617 70 L 4.4641 8.3843 117.4836 55.5926 42.9780 177.8330 71 G 3.8326 8.1970 105.4750 44.8287 0.0000 172.5374 72 L 4.1892 8.2125 116.9463 54.8554 43.0786 176.9013 73 R 4.3299 7.5839 119.3411 55.0352 29.4626 176.4822 74 I 4.5294 6.9200 119.1257 59.8547 41.6977 176.4825 75 K 4.0700 8.6829 126.0922 55.0039 31.8327 174.8578 76 Y 5.1608 8.3643 122.0029 55.2657 40.5275 176.7413 77 G 3.9387 8.5116 109.7415 44.0642 0.0000 174.9128 78 R 4.0321 8.9719 118.6550 58.9190 29.9137 179.1311 79 L 3.9311 7.8286 119.8871 58.3413 42.1325 178.9788 80 F 4.2460 8.1966 117.1436 60.8070 38.6247 177.3168 81 N 4.5209 8.2745 115.1990 56.3136 38.6462 177.0510 82 E 4.0848 8.2567 120.1908 59.4114 29.5199 179.3393 83 I 2.1547 7.2610 119.5912 63.5951 36.9742 178.3396 84 K 4.0849 8.1187 122.1359 58.8079 31.8542 178.8636 85 K 4.1792 7.8247 117.9957 58.8958 31.9998 178.8536 86 F 4.7548 8.3123 118.2558 60.0214 38.7061 177.0217 87 D 4.5407 8.2807 119.2840 57.3312 40.5582 178.2814 88 N 4.3685 8.0992 117.1650 56.4891 38.5715 177.0166 89 D 4.3636 8.2838 119.4609 57.3388 40.9719 178.5727 90 A 4.2428 8.0557 120.9268 55.4080 18.5865 179.3715 91 E 4.7047 8.3364 121.5678 59.5964 29.4743 179.5104 92 E 3.9938 8.0160 117.6646 61.0133 29.8778 180.5862 93 Q 4.1300 7.9877 119.4943 57.6768 29.3079 176.4038 94 F 4.8746 8.5907 116.1338 56.5617 41.2576 174.7462 95 G 3.8499 8.0244 106.1771 44.3053 0.0000 172.9595 96 T 4.4651 8.1802 108.5424 61.1619 71.0645 175.3622 97 I 3.6758 8.1944 121.5523 64.1788 37.9470 178.0707 98 E 4.0066 8.0836 119.3206 59.1065 29.2353 178.6754 99 E 3.9029 8.1171 119.3146 59.2644 29.7030 178.9629 100 L 3.7920 7.7534 118.7950 57.4288 41.7957 179.0701 101 K 3.7001 8.3136 120.0753 59.6882 32.0467 178.4113 102 Q 3.8644 7.7969 119.1039 59.0492 28.8591 177.6220 103 K 3.7411 7.9374 120.1791 59.3767 32.1339 177.3214 104 L 4.3468 8.1152 115.0282 53.8701 42.5579 176.6189 105 R 3.7418 7.7580 118.2980 57.0014 28.4052 177.4268 106 L 4.1004 7.8943 119.4035 57.9309 42.2450 179.3868 107 N 4.8566 8.0633 112.8959 53.1739 38.9927 175.0784 108 S 4.4796 7.9724 115.0193 57.0309 64.2323 174.6846 109 E 3.8176 8.7043 121.1612 59.0915 29.3048 177.2047 110 E 4.3934 7.9220 115.5407 56.1899 30.3185 177.9888 111 G 4.0899 8.4020 108.9639 47.2359 0.0000 175.8674 112 A 3.8904 7.5413 122.4963 54.9668 18.2493 179.3191 113 D 4.3635 7.7946 116.9265 57.5426 40.9426 178.5522 114 N 4.3661 8.5621 117.4210 56.2075 38.5524 177.1543 115 F 4.3155 8.5495 122.0359 61.5075 39.5704 177.2606 116 I 3.5411 7.9844 119.3963 64.2813 36.8609 177.7795 117 D 4.3376 8.3234 119.0171 57.6140 40.9794 177.7422 118 Y 4.0073 8.1170 119.8305 60.7439 38.7900 178.0697 119 I 3.3187 7.5528 120.6142 64.2595 37.1698 178.5420 120 K 3.9753 8.0256 119.2192 59.2562 31.8205 179.3120 121 V 3.5332 7.8026 118.5681 66.3051 31.4322 178.0533 122 Q 3.9597 7.8413 117.5160 58.9321 28.3433 178.8798 123 K 3.9245 8.0420 119.4300 59.5159 32.2522 178.2968 124 Q 4.0656 7.9330 119.1023 59.1154 29.0892 177.4252 125 D 4.6184 8.0178 118.2746 54.8603 41.2591 176.7694 126 I 4.0040 7.3081 121.3015 60.6079 37.7247 175.9842 127 V 3.6703 8.5592 125.9239 65.1515 31.6204 176.0366 128 K 4.4186 7.5762 119.2987 54.2766 34.5779 175.1734 129 L 4.2221 8.5477 129.0288 55.1299 42.9587 176.3743 130 T 4.7128 8.8564 116.2936 59.4786 72.6958 175.7072 131 V 3.5691 8.1765 121.0157 65.3333 31.0717 178.0093 132 Y 3.9564 7.8310 116.6704 60.5368 37.8017 177.4939 133 D 4.6636 8.2324 120.1111 57.8496 40.9900 178.7115 134 C 4.5420 8.1813 116.6387 62.8112 28.1037 176.2002 135 I 3.2795 7.8970 121.6223 64.4512 36.6127 178.6203 136 S 4.2502 8.2612 115.9935 61.9014 62.6131 176.5139 137 M 3.9900 8.4422 120.9284 58.5357 31.8632 178.4015 138 I 4.1437 8.0983 120.3369 64.4969 37.3888 178.6326 139 G 3.9069 8.4957 106.6382 47.6134 0.0000 175.5907 140 L 4.0466 8.2614 122.6226 58.3057 42.1814 178.5561 141 C 3.9242 8.3976 116.5730 62.9505 27.9541 176.0986 142 A 4.2873 8.4430 122.0045 55.7173 17.8432 179.5820 143 C 4.2663 8.0198 113.8698 62.7484 28.5527 176.3000 144 V 3.1696 7.7929 120.4084 65.6280 30.9224 178.4874 145 V 3.6831 7.8879 119.2456 64.8349 31.0562 178.0583 146 D 4.3167 7.7777 119.6558 57.1559 40.7186 178.8308 147 V 3.5000 7.3736 118.2379 65.8465 31.4406 178.1799 148 W 4.3949 7.7184 118.1940 59.6222 28.8511 178.2479 149 R 3.8424 8.3818 118.9065 59.7334 29.3750 178.4164 150 N 4.3078 8.0418 114.6132 55.7750 38.5849 176.0570 151 E 4.1967 7.7272 117.6004 55.2910 29.9643 176.0159 152 K 2.4800 7.4690 115.9877 58.2390 30.7767 177.4590 153 L 4.2793 7.3988 119.3982 53.7749 38.0132 177.0214 154 F 4.5460 7.7500 121.2186 60.4016 39.5012 177.0316 155 S 4.3875 8.2003 112.3083 60.2582 63.1036 176.1374 156 R 3.8736 7.9823 122.2322 58.2776 29.5638 178.2222 157 W 4.7625 8.0340 116.8230 59.9556 27.6157 178.3107 158 K 3.0371 6.8799 118.9155 59.2191 31.1957 178.7204 159 Y 3.9483 8.4716 117.2270 60.8026 37.7160 177.8938 160 C 4.1197 8.2676 118.1472 62.9076 28.1343 176.1888 161 L 4.1181 7.7587 119.9460 57.7108 41.4561 179.2527 162 R 3.9039 7.8357 118.4188 59.3143 30.1064 178.3853 163 A 4.0261 8.3796 120.6701 55.3045 18.4456 179.5635 164 I 3.8484 7.9889 118.2655 64.7629 37.0331 178.8859 165 K 4.2233 8.1911 117.9331 59.4313 31.8857 179.1435 166 L 4.1732 7.7877 118.3163 56.9011 41.6029 178.1896 167 F 4.7093 7.9754 118.5538 57.6630 40.4457 175.2413 168 I 4.3859 8.1773 119.9691 59.1947 38.1602 175.6656 169 N 4.7615 8.3744 124.1934 51.9648 39.9369 175.4249 170 D 4.3549 8.4939 119.3950 57.5001 40.7602 178.3182 171 H 4.0767 8.3056 118.4585 59.7337 29.7984 177.1029 172 M 4.0875 8.9190 120.7614 58.2022 31.6908 178.6857 173 L 4.0191 8.1924 119.3308 57.9711 41.8346 179.0537 174 D 4.3845 8.3243 118.9564 57.6466 40.7841 179.3790 175 K 3.9617 7.7702 118.2047 59.3478 31.9423 179.5152 176 I 3.6237 7.9862 120.4095 64.1044 36.9539 178.2401 177 K 3.8882 8.2485 120.5568 59.7744 32.0622 178.8080 178 S 4.3031 7.9888 115.2382 61.7987 62.7534 176.9067 179 I 3.7533 7.7797 122.2886 64.3694 36.7936 178.5191 180 L 4.0708 8.2080 119.9587 57.8596 41.4491 179.4691 181 Q 4.0105 8.4467 118.3431 59.1352 28.8207 178.7051 182 N 4.3274 8.2315 117.2369 56.6693 38.7657 177.7486 183 R 4.0271 8.1981 119.2137 59.1407 30.0765 179.1902 184 L 4.0274 8.2416 119.1994 57.5644 41.3696 179.4871 185 V 3.6461 7.7328 119.8688 67.0085 31.8134 177.9770 *186 Y 4.1461 7.7955 119.9429 62.0718 36.4145 180.4136 187 V 3.8440 7.4585 118.6684 65.9665 31.7101 177.8143 188 E 4.1059 8.3220 117.5158 58.5406 29.3045 176.8987 189 M 4.2916 7.6098 122.1172 55.3207 32.4530 175.4056 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 40 I 8.02 4.13 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 1.41 1.06 0.89 0.00 0.00 41 K 8.37 4.12 0.00 1.79 1.72 0.00 1.80 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.51 7.81 42 P 0.00 4.28 0.00 1.60 1.95 0.00 3.60 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.72 0.00 43 D 7.96 4.33 0.00 2.55 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 44 Y 8.73 4.29 0.00 3.21 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 45 L 7.84 3.07 0.00 0.68 1.28 0.71 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 46 E 7.60 4.65 0.00 1.87 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 2.15 2.11 0.00 47 Y 7.42 4.22 0.00 2.99 2.85 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 48 D 8.06 4.79 0.00 2.50 2.57 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 49 D 6.72 4.93 0.00 2.23 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 0.00 0.00 0.00 0.00 50 L 8.14 4.48 0.00 1.65 1.57 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 51 L 9.32 4.76 0.00 1.93 1.63 1.01 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 52 D 8.82 4.45 0.00 2.70 2.78 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 0.00 0.00 0.00 53 R 7.93 4.05 0.00 1.95 2.11 0.00 3.17 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 54 D 7.80 4.72 0.00 2.92 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 55 E 8.69 4.31 0.00 2.08 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 2.44 2.41 0.00 56 M 8.72 3.96 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.87 0.00 57 F 8.25 4.14 0.00 3.24 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 58 T 7.94 4.21 4.45 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 1.42 0.00 0.00 59 I 7.57 3.37 1.80 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 0.03 -0.07 0.75 0.00 0.00 60 L 7.84 3.78 0.00 1.66 1.77 1.05 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.25 4.09 0.00 2.19 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 0.00 2.25 1.95 0.00 62 E 8.40 4.04 0.00 2.40 2.47 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 2.41 2.69 0.00 63 Y 8.14 2.92 0.00 2.22 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 64 F 8.06 4.27 0.00 3.36 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 65 M 7.89 2.55 0.00 1.57 1.07 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 66 Y 7.88 4.07 0.00 3.04 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 67 R 8.05 4.02 0.00 1.36 1.58 0.00 2.97 0.00 0.00 2.84 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 68 G 8.25 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 69 L 7.59 4.53 0.00 1.50 1.52 0.62 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.38 4.46 0.00 1.82 1.78 1.10 0.84 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 71 G 8.20 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 72 L 8.21 4.19 0.00 1.56 1.55 0.91 0.84 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 73 R 7.58 4.33 0.00 2.03 1.88 0.00 3.30 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.21 0.00 74 I 6.92 4.53 1.86 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 1.27 0.81 1.00 0.00 0.00 75 K 8.68 4.07 0.00 1.77 1.63 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.36 1.03 7.81 76 Y 8.36 5.16 0.00 2.98 2.93 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 0.00 0.00 0.00 77 G 8.51 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 0.00 0.00 0.00 78 R 8.97 4.03 0.00 1.99 1.99 0.00 3.12 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 79 L 7.83 3.93 0.00 2.04 1.86 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 80 F 8.20 4.25 0.00 2.88 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 81 N 8.27 4.52 0.00 3.00 2.95 0.00 0.00 7.09 7.50 0.00 0.00 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 E 8.26 4.08 0.00 2.08 1.91 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 2.53 2.49 0.00 83 I 7.26 2.15 0.98 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.28 -0.45 0.00 0.00 84 K 8.12 4.08 0.00 2.13 2.09 0.00 1.73 0.00 0.00 1.92 0.00 0.00 3.19 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.47 7.81 85 K 7.82 4.18 0.00 2.12 1.96 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.73 7.81 86 F 8.31 4.75 0.00 3.08 3.20 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 0.00 87 D 8.28 4.54 0.00 2.94 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 88 N 8.10 4.37 0.00 2.79 2.91 0.00 0.00 6.99 7.93 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 89 D 8.28 4.36 0.00 2.94 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 8.06 4.24 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 0.00 0.00 0.00 0.00 0.00 91 E 8.34 4.70 0.00 2.13 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 0.00 2.34 2.22 0.00 92 E 8.02 3.99 0.00 2.13 1.85 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 2.26 2.19 0.00 93 Q 7.99 4.13 0.00 1.73 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.71 0.00 0.00 0.00 0.00 0.00 1.16 1.89 0.00 94 F 8.59 4.87 0.00 3.26 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 0.00 95 G 8.02 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 96 T 8.18 4.47 4.43 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 1.22 0.00 0.00 97 I 8.19 3.68 1.83 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 1.54 0.95 0.88 0.00 0.00 98 E 8.08 4.01 0.00 2.08 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 2.40 0.00 99 E 8.12 3.90 0.00 2.07 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 2.30 2.35 0.00 100 L 7.75 3.79 0.00 1.76 1.46 0.91 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.31 3.70 0.00 1.76 1.92 0.00 1.57 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.39 7.81 102 Q 7.80 3.86 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.49 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 103 K 7.94 3.74 0.00 1.78 1.98 0.00 1.65 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.46 7.81 104 L 8.12 4.35 0.00 1.65 1.68 0.51 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 105 R 7.76 3.74 0.00 1.98 1.90 0.00 3.14 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 106 L 7.89 4.10 0.00 1.69 1.71 0.53 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 107 N 8.06 4.86 0.00 2.73 2.87 0.00 0.00 6.93 7.57 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 0.00 108 S 7.97 4.48 0.00 3.99 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 0.00 109 E 8.70 3.82 0.00 1.90 2.01 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 2.27 2.37 0.00 110 E 7.92 4.39 0.00 2.12 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 2.26 2.27 0.00 111 G 8.40 4.09 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 0.00 112 A 7.54 3.89 -0.21 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 0.00 113 D 7.79 4.36 0.00 2.83 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 0.00 114 N 8.56 4.37 0.00 3.01 2.92 0.00 0.00 6.64 8.24 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 0.00 115 F 8.55 4.32 0.00 3.28 3.48 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 0.00 0.00 0.00 0.00 116 I 7.98 3.54 2.08 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.33 0.95 0.00 0.00 117 D 8.32 4.34 0.00 2.80 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 0.00 118 Y 8.12 4.01 0.00 3.16 3.04 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 0.00 119 I 7.55 3.32 1.77 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.36 0.85 0.00 0.00 120 K 8.03 3.98 0.00 1.98 1.84 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.52 7.81 121 V 7.80 3.53 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 0.96 0.00 0.00 0.96 0.00 0.00 122 Q 7.84 3.96 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.57 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 123 K 8.04 3.92 0.00 2.01 1.83 0.00 1.73 0.00 0.00 1.55 0.00 0.00 2.71 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.26 0.88 7.81 124 Q 7.93 4.07 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 125 D 8.02 4.62 0.00 2.71 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 0.00 126 I 7.31 4.00 1.89 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 1.26 0.66 0.99 0.00 0.00 127 V 8.56 3.67 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 0.75 0.00 0.00 0.93 0.00 0.00 128 K 7.58 4.42 0.00 1.67 1.61 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.39 7.81 129 L 8.55 4.22 0.00 1.48 1.45 0.59 0.51 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 0.00 130 T 8.86 4.71 4.34 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 1.33 0.00 0.00 131 V 8.18 3.57 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 0.29 0.00 0.00 0.67 0.00 0.00 132 Y 7.83 3.96 0.00 3.06 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 0.00 133 D 8.23 4.66 0.00 3.05 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 0.00 134 C 8.18 4.54 0.00 3.23 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 0.00 135 I 7.90 3.28 1.75 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.39 -0.25 0.00 0.00 136 S 8.26 4.25 0.00 4.18 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 0.00 137 M 8.44 3.99 0.00 2.02 1.60 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.21 0.00 138 I 8.10 4.14 2.36 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.77 1.19 0.00 0.00 139 G 8.50 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 0.00 140 L 8.26 4.05 0.00 1.98 1.91 0.94 0.47 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 0.00 141 C 8.40 3.92 0.00 3.41 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 0.00 142 A 8.44 4.29 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 0.00 0.00 0.00 0.00 0.00 143 C 8.02 4.27 0.00 3.09 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 0.00 144 V 7.79 3.17 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 -0.99 0.00 0.00 0.55 0.00 0.00 145 V 7.89 3.68 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 0.89 0.00 0.00 1.25 0.00 0.00 146 D 7.78 4.32 0.00 2.75 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 0.00 147 V 7.37 3.50 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 0.98 0.00 0.00 0.78 0.00 0.00 148 W 7.72 4.39 0.00 3.58 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 0.00 149 R 8.38 3.84 0.00 2.18 2.14 0.00 3.26 0.00 0.00 3.49 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.17 0.00 150 N 8.04 4.31 0.00 2.88 2.86 0.00 0.00 7.03 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 0.00 151 E 7.73 4.20 0.00 2.04 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 2.39 2.34 0.00 152 K 7.47 2.48 0.00 1.75 1.63 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.14 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.25 7.81 153 L 7.40 4.28 0.00 1.55 1.36 0.89 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 154 F 7.75 4.55 0.00 3.16 3.10 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 0.00 155 S 8.20 4.39 0.00 4.04 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.98 3.87 0.00 1.46 0.66 0.00 2.21 0.00 0.00 2.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.25 0.00 157 W 8.03 4.76 0.00 3.86 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 0.00 158 K 6.88 3.04 0.00 1.25 1.33 0.00 1.01 0.00 0.00 0.61 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.30 1.10 7.81 159 Y 8.47 3.95 0.00 3.16 3.29 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 0.00 160 C 8.27 4.12 0.00 2.74 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 0.00 0.00 0.00 161 L 7.76 4.12 0.00 1.79 1.95 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 162 R 7.84 3.90 0.00 1.70 2.10 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 163 A 8.38 4.03 1.45 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 0.00 164 I 7.99 3.85 2.31 0.00 0.00 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 1.89 1.05 1.27 0.00 0.00 165 K 8.19 4.22 0.00 1.95 1.87 0.00 1.89 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.26 1.66 7.81 166 L 7.79 4.17 0.00 1.95 1.80 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 167 F 7.98 4.71 0.00 3.11 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 0.00 168 I 8.18 4.39 2.13 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.10 1.03 0.00 0.00 169 N 8.37 4.76 0.00 2.99 2.96 0.00 0.00 6.20 8.07 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 0.00 170 D 8.49 4.35 0.00 2.72 2.77 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 0.00 171 H 8.31 4.08 0.00 3.24 3.52 0.00 5.87 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 0.00 172 M 8.92 4.09 0.00 2.05 2.26 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 2.62 2.88 0.00 173 L 8.19 4.02 0.00 1.90 1.79 1.14 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 174 D 8.32 4.38 0.00 2.83 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 0.00 175 K 7.77 3.96 0.00 1.86 1.75 0.00 1.55 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.50 7.81 176 I 7.99 3.62 2.05 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.65 1.04 0.00 0.00 177 K 8.25 3.89 0.00 1.95 1.98 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.50 7.81 178 S 7.99 4.30 0.00 4.08 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 0.00 179 I 7.78 3.75 1.99 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 1.52 0.85 0.97 0.00 0.00 180 L 8.21 4.07 0.00 1.88 1.74 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 181 Q 8.45 4.01 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.56 2.59 0.00 182 N 8.23 4.33 0.00 2.99 2.91 0.00 0.00 7.09 6.97 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 0.00 183 R 8.20 4.03 0.00 2.06 2.17 0.00 3.27 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.91 0.00 184 L 8.24 4.03 0.00 1.85 1.72 0.94 0.90 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 0.00 185 V 7.73 3.65 2.26 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 0.79 0.00 0.00 1.01 0.00 0.00 *186 Y 7.80 4.15 0.00 2.40 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 0.00 187 V 7.46 3.84 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 0.99 0.00 0.00 1.06 0.00 0.00 188 E 8.32 4.11 0.00 2.17 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 0.00 2.33 2.52 0.00 189 M 7.61 4.29 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.44 0.00 * Residues marked with a * may have inaccurate shift predictions.