NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4080 8.2893 120.3244 54.9748 32.6660 175.2435 2 E 4.0561 8.4417 123.3318 54.6048 31.1337 173.9116 3 H 4.4222 8.6023 119.3995 56.7039 31.1998 175.6402 4 T 4.7124 9.7309 118.8573 60.1432 71.1365 173.5744 5 I 5.0748 8.3810 124.5007 59.3977 40.8677 174.0066 6 A 4.6197 8.7761 128.2032 49.8734 21.9245 174.7571 7 V 4.5680 8.6424 122.5770 61.3432 34.0832 174.7390 8 I 4.8274 9.0591 129.7869 59.0326 38.1845 173.5371 9 P 5.4195 0.0000 0.0000 60.9074 33.0511 175.6656 10 G 3.5793 7.9802 109.8019 46.0364 0.0000 173.0612 11 S 4.5131 7.8375 113.5020 59.2194 64.3549 175.7905 12 F 3.5234 6.1453 116.2526 59.2355 35.2853 174.1882 13 D 4.9745 7.6553 126.2808 51.4580 41.2146 172.0103 14 P 5.2378 0.0000 0.0000 59.4900 34.3118 175.4899 15 I 3.7859 8.0241 118.5338 61.1710 38.3892 175.3468 16 T 4.6330 8.3895 116.7516 59.7737 72.9193 174.5697 17 Y 4.2575 8.6178 118.1195 60.6236 37.6851 179.0828 18 G 3.4507 7.6614 106.7172 48.0128 0.0000 175.5164 19 H 4.3339 8.0651 118.6110 58.5420 28.9564 177.2492 20 L 3.9926 8.2551 122.4111 58.5908 41.7325 178.6585 21 D 4.4151 8.5115 118.0658 57.3782 40.9703 178.3257 22 I 3.8073 7.1928 118.1625 64.3049 37.4369 178.1552 23 I 3.8927 7.8833 120.6158 64.6436 36.7380 178.4079 24 E 4.0502 8.3647 119.2798 59.4389 29.0912 179.3672 25 R 4.0064 8.1603 116.3772 58.1691 30.3741 178.1571 26 S 4.6738 7.9771 115.1581 60.0613 63.2878 176.0708 27 T 3.8943 7.2330 111.4402 65.0850 68.1904 174.4720 28 D 4.7066 8.0968 118.0700 54.3162 40.8431 176.7189 29 R 4.3796 8.2198 117.4143 55.8424 31.3960 175.7337 30 F 4.7456 7.6381 115.1172 55.6036 43.0834 174.2516 31 D 4.5970 8.4448 123.3200 56.7119 41.4328 176.7819 32 E 4.7710 8.5122 118.9396 54.3053 33.3342 174.5275 33 I 4.9390 8.7845 126.9936 59.8057 40.6388 174.0814 34 H 5.2856 9.0974 123.8354 54.0559 31.6681 173.2631 35 V 4.3546 8.8812 125.4036 61.9842 32.6043 174.0824 36 C 5.0285 8.6893 129.4946 57.5816 33.8525 172.6016 37 V 5.1000 8.3576 127.0692 61.6005 32.2583 174.9550 38 L 5.3299 8.3805 127.4721 51.5005 44.6881 178.8294 39 K 3.3072 8.6801 119.9534 57.8328 30.9283 176.6911 *45 G 3.7747 8.4715 114.1572 46.7562 0.0000 172.4108 46 T 3.9054 9.7925 121.5534 65.7653 68.7626 175.2369 47 F 4.8573 8.6950 118.9535 55.4333 41.0417 176.4414 48 S 4.4635 9.1288 119.7841 57.6531 64.9867 175.4666 49 L 3.9592 8.3807 123.2951 58.3626 41.8846 178.6789 50 E 3.9812 8.1698 117.0311 59.4543 29.4730 178.6271 51 E 3.9849 8.2873 119.4859 59.4211 29.6346 179.6644 52 R 3.8479 8.2898 118.0858 59.4148 29.9882 179.1308 53 M 3.9901 8.0930 118.6904 58.2178 31.8511 178.2675 54 D 4.5164 8.0412 119.5349 56.8170 41.2173 178.1579 55 L 4.1737 7.7677 118.2635 57.9670 42.0249 179.4133 56 I 3.6937 7.6635 119.4892 64.2754 36.5600 177.9716 57 E 3.8204 8.2444 119.7518 59.9330 29.1709 179.8212 58 Q 3.8199 7.7659 116.1513 58.4981 28.6359 178.4275 59 S 4.4558 7.5277 114.3114 59.5808 63.2698 175.0036 60 V 4.4485 7.2371 114.9561 60.8073 32.3193 178.0312 61 K 4.0161 8.2660 122.1215 59.4476 31.9925 177.9218 62 H 4.4140 8.2553 112.1054 56.3891 29.0127 175.3210 63 L 4.4758 7.3489 122.1106 51.9982 41.1322 174.8706 64 P 4.2316 0.0000 0.0000 65.3955 31.5033 177.0246 65 N 4.8696 8.1179 115.1066 52.6203 38.7505 174.3075 66 V 4.7782 7.4826 119.8690 61.8840 33.0769 175.0674 67 K 4.5130 9.2368 127.8241 54.7882 34.8331 175.8483 68 V 4.6616 8.0392 122.5391 61.7273 33.4196 173.9598 69 H 5.2412 8.8465 124.6326 53.8915 33.1770 172.3221 70 Q 5.0432 8.4652 116.0945 55.0454 31.8568 174.2812 71 F 5.0023 8.7592 120.5471 57.1969 43.4547 172.9698 72 S 4.5147 7.3813 119.0029 56.6475 64.8756 172.3360 73 G 3.6595 8.7082 110.2452 43.5084 0.0000 172.5972 74 L 4.1888 8.7464 119.2326 54.5117 42.3209 178.1304 75 L 4.0418 8.8407 124.9039 58.5344 42.0183 179.6515 76 V 3.6908 7.7853 111.7343 64.2702 31.4865 178.1231 77 D 4.3611 8.0004 118.7227 57.1642 40.6612 178.0129 78 Y 3.2032 7.3984 119.5197 60.6699 38.6868 177.6993 79 C 3.9126 7.9527 117.5485 62.9047 28.2750 175.8976 80 E 3.8465 8.1595 120.6842 59.0221 28.9106 179.0189 81 Q 3.8994 7.4837 117.5722 58.8193 28.9776 178.3041 82 V 3.8496 7.0888 109.7533 60.7846 31.7893 176.6540 83 G 3.7220 7.3035 105.8757 46.1936 0.0000 173.4493 84 A 4.3849 7.9266 122.6583 51.2193 19.5714 178.4550 85 K 4.6169 8.4507 120.3321 56.3670 34.0699 175.8689 86 T 5.1208 7.6444 116.6389 61.7414 73.2572 172.6275 87 I 4.8153 8.6307 125.6039 59.5847 40.2156 174.3979 88 I 4.7542 8.5037 128.6093 59.7483 38.5992 175.5423 89 R 4.5799 8.5551 125.2568 54.2073 34.2288 174.6189 90 G 4.3024 8.7235 109.3507 45.1503 0.0000 172.6361 91 L 4.9558 9.1573 126.1510 53.3098 44.2731 175.5200 92 R 4.9571 9.0449 124.8997 53.8877 33.4419 177.0733 93 A 3.7731 8.5996 124.0328 55.1156 18.3238 179.1284 94 V 4.2141 7.0682 107.3725 61.3620 31.6656 176.6105 95 S 4.3091 7.7939 116.4373 58.5425 63.3142 174.8870 96 D 4.7060 8.4129 122.6269 52.6988 40.5382 176.5318 97 F 4.2897 8.6843 128.3689 61.4003 39.5067 176.3777 98 E 3.8499 8.2810 117.5025 59.3820 29.3063 178.4878 99 Y 4.1145 8.4011 119.6461 60.8175 38.8152 178.0532 100 E 3.8362 8.4030 119.4859 59.1951 29.4408 179.3245 101 L 3.7309 7.6161 118.8752 57.7797 41.6172 179.5713 102 R 3.7992 7.8572 117.8134 59.2248 30.0777 178.4249 103 L 3.7450 7.5870 119.7035 58.9521 41.9529 179.4239 104 T 3.8755 8.0379 115.3140 66.5383 68.4542 176.8225 105 S 4.0548 8.2835 115.4346 61.5360 62.3572 175.9561 106 M 4.0130 8.2320 121.0704 58.7252 32.0182 177.9680 107 N 4.3241 8.1093 116.6468 56.1118 38.4272 177.3183 108 K 3.9704 8.0022 120.4210 59.2499 32.3339 178.8408 109 K 4.1215 7.6808 117.8230 59.4730 32.1084 178.9892 110 L 4.4180 7.7372 117.8804 56.7213 42.0583 177.3437 111 N 4.6527 8.2058 119.9677 52.7984 39.7307 173.6766 112 N 4.7238 8.5710 120.8110 53.3795 37.6544 175.7750 113 E 4.3389 8.4755 117.7061 56.8445 29.8711 175.7681 114 I 4.6991 7.3526 120.7433 59.4959 39.5357 174.7200 115 E 4.6653 8.8069 126.9255 54.9593 31.7920 175.1657 116 T 4.6804 8.4797 121.1128 62.5316 70.0242 174.0106 117 L 4.8243 9.0468 126.7247 53.1472 44.5720 174.9884 118 Y 5.0963 8.8381 121.5386 56.8872 39.6719 174.5040 119 M 4.7465 8.9575 124.1742 53.7859 34.8479 174.3951 120 M 4.7777 8.7243 126.3268 55.1777 33.0961 175.8073 121 S 4.5443 8.7997 121.5154 58.2703 63.5888 174.0881 122 S 4.4746 8.3004 116.1997 57.8430 63.6358 175.3733 123 T 3.9354 8.5026 111.9778 64.9361 68.3047 174.7157 124 N 4.5128 7.9179 118.0531 54.9186 39.4424 174.4191 125 Y 5.1196 7.9344 113.8271 58.2621 39.3148 176.7799 126 S 4.3520 8.1885 114.7820 59.7012 62.6116 174.6025 127 F 4.8951 8.3342 116.2275 57.5681 39.8966 174.4343 128 I 4.5951 7.4145 113.0460 59.2751 39.9657 174.9660 129 S 4.6767 7.9070 114.3974 56.1422 67.0991 175.1138 130 S 4.2068 8.6497 118.0819 61.8517 62.4919 176.7989 131 S 4.0922 8.1036 117.3634 61.9205 62.5167 176.4002 132 I 3.6209 7.4655 119.4990 64.0888 37.6690 178.3031 133 V 3.4258 7.5871 118.8173 65.9379 31.3492 178.2374 134 K 4.1443 8.5739 118.7002 59.2162 31.3329 178.8587 135 E 3.7130 8.2465 119.7238 59.5802 29.6183 179.5024 136 V 3.5531 7.6236 111.7779 64.0169 31.4861 178.5022 137 A 4.0427 7.9306 120.7580 55.0409 18.0022 179.4500 138 A 2.7297 7.3774 118.5245 54.3294 18.1689 178.3936 139 Y 4.5119 6.6903 112.7329 56.9164 38.6397 175.7474 140 R 3.7998 8.0226 117.3715 57.2402 28.0964 176.3331 141 A 4.4559 7.7771 119.2110 51.0159 20.0028 177.7217 142 D 4.5705 8.6198 120.1264 54.5177 41.0559 176.7229 143 I 4.7376 8.3709 116.5791 60.3393 38.3970 177.1665 144 S 4.3467 8.1906 116.1860 60.9446 62.6825 174.8910 145 E 4.0983 7.7306 120.6543 57.6151 29.7758 176.5978 146 F 5.1331 8.3719 116.6818 57.8127 40.4180 175.8470 147 V 4.2207 7.4181 112.1714 57.3723 35.4976 173.9210 148 P 4.7435 0.0000 0.0000 61.5640 33.0285 175.5046 149 P 4.2582 0.0000 0.0000 66.3012 31.3553 178.2802 150 Y 3.9890 7.9963 117.4692 60.5900 38.7286 178.0214 151 V 3.4288 7.7115 118.7529 65.8731 31.6810 177.3706 152 E 3.9484 8.2233 119.1139 59.1880 29.4743 178.6511 153 K 3.8391 8.0556 119.4089 59.4487 32.1287 178.6940 154 A 3.9248 7.6332 120.6633 54.9551 18.2389 179.5800 155 L 4.0299 8.3289 117.9356 57.9114 41.6360 179.9018 156 K 4.0263 8.3002 118.4649 59.3780 31.8218 178.9739 157 K 3.7994 7.7668 118.4363 59.5679 32.0579 178.3085 158 K 3.9081 7.8809 118.2545 59.3832 32.1680 178.0899 159 F 4.8925 7.7392 115.6609 57.2107 39.0190 175.9355 160 K 4.0639 7.6195 124.6456 57.5855 32.1254 176.2807 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 8.29 4.41 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 2 E 8.44 4.06 0.00 2.17 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 2.28 2.38 0.00 3 H 8.60 4.42 0.00 3.14 3.28 0.00 5.70 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 T 9.73 4.71 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 1.23 0.00 0.00 5 I 8.38 5.07 1.80 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 1.30 1.17 0.71 0.00 0.00 6 A 8.78 4.62 -0.07 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 7 V 8.64 4.57 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 1.06 0.00 0.00 1.03 0.00 0.00 8 I 9.06 4.83 1.92 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 1.23 0.81 1.10 0.00 0.00 9 P 0.00 5.42 0.00 2.06 2.05 0.00 3.74 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.76 0.00 10 G 7.98 3.58 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 0.00 11 S 7.84 4.51 0.00 3.99 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 F 6.15 3.52 0.00 3.20 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 13 D 7.66 4.97 0.00 2.83 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 14 P 0.00 5.24 0.00 1.98 1.54 0.00 3.57 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 15 I 8.02 3.79 1.82 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 1.50 0.93 0.82 0.00 0.00 16 T 8.39 4.63 4.49 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 1.31 0.00 0.00 17 Y 8.62 4.26 0.00 2.71 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 18 G 7.66 3.45 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 0.00 19 H 8.07 4.33 0.00 3.49 3.63 0.00 5.85 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.26 3.99 0.00 1.88 2.00 1.14 1.46 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 21 D 8.51 4.42 0.00 2.97 2.90 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 22 I 7.19 3.81 2.09 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.98 0.96 0.00 0.00 23 I 7.88 3.89 2.03 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.16 0.89 0.00 0.00 24 E 8.36 4.05 0.00 2.09 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 2.40 2.56 0.00 25 R 8.16 4.01 0.00 1.91 2.05 0.00 3.41 0.00 0.00 3.43 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 26 S 7.98 4.67 0.00 4.11 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 27 T 7.23 3.89 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 28 D 8.10 4.71 0.00 2.70 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 29 R 8.22 4.38 0.00 1.90 1.55 0.00 3.32 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 30 F 7.64 4.75 0.00 2.96 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 31 D 8.44 4.60 0.00 2.35 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 32 E 8.51 4.77 0.00 2.08 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 33 I 8.78 4.94 1.99 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 1.30 0.90 0.89 0.00 0.00 34 H 9.10 5.29 0.00 3.11 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.88 4.35 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 0.23 0.00 0.00 0.79 0.00 0.00 36 C 8.69 5.03 0.00 2.81 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 37 V 8.36 5.10 2.12 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 1.39 0.00 0.00 0.94 0.00 0.00 38 L 8.38 5.33 0.00 1.58 1.63 1.29 1.08 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 39 K 8.68 3.31 0.00 1.87 1.39 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.39 7.81 *45 G 8.47 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 46 T 9.79 3.91 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 47 F 8.70 4.86 0.00 3.08 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 48 S 9.13 4.46 0.00 4.05 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 49 L 8.38 3.96 0.00 1.72 1.72 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.17 3.98 0.00 2.21 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 2.38 2.36 0.00 51 E 8.29 3.98 0.00 2.46 2.19 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 2.41 2.42 0.00 52 R 8.29 3.85 0.00 2.02 2.09 0.00 3.52 0.00 0.00 3.52 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.98 0.00 53 M 8.09 3.99 0.00 2.02 2.21 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.50 0.00 54 D 8.04 4.52 0.00 2.82 2.87 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 0.00 0.00 0.00 55 L 7.77 4.17 0.00 1.71 1.63 0.08 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.66 3.69 1.79 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 1.66 0.96 0.59 0.00 0.00 57 E 8.24 3.82 0.00 2.10 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 58 Q 7.77 3.82 0.00 1.05 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.97 0.00 0.00 0.00 0.00 0.00 1.96 1.16 0.00 59 S 7.53 4.46 0.00 3.96 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.24 4.45 1.98 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 0.72 0.00 0.00 0.93 0.00 0.00 61 K 8.27 4.02 0.00 1.72 1.84 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.27 7.81 62 H 8.26 4.41 0.00 3.28 3.40 0.00 5.49 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.35 4.48 0.00 1.71 1.57 0.83 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.23 0.00 2.17 2.19 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 65 N 8.12 4.87 0.00 2.95 3.08 0.00 0.00 5.75 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.48 4.78 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 0.72 0.00 0.00 0.90 0.00 0.00 67 K 9.24 4.51 0.00 1.53 1.46 0.00 1.47 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.34 7.81 68 V 8.04 4.66 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 0.66 0.00 0.00 0.77 0.00 0.00 69 H 8.85 5.24 0.00 3.10 3.22 0.00 5.61 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 8.47 5.04 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.67 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 71 F 8.76 5.00 0.00 2.85 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 72 S 7.38 4.51 0.00 3.79 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 73 G 8.71 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 74 L 8.75 4.19 0.00 2.03 1.69 0.96 0.49 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 75 L 8.84 4.04 0.00 1.79 1.70 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 76 V 7.79 3.69 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 0.86 0.00 0.00 0.95 0.00 0.00 77 D 8.00 4.36 0.00 3.11 2.84 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 78 Y 7.40 3.20 0.00 1.43 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 79 C 7.95 3.91 0.00 3.11 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 80 E 8.16 3.85 0.00 1.99 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 2.25 2.30 0.00 81 Q 7.48 3.90 0.00 1.87 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.60 0.00 82 V 7.09 3.85 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.58 0.00 0.00 83 G 7.30 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 0.00 0.00 0.00 84 A 7.93 4.38 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 85 K 8.45 4.62 0.00 1.66 1.80 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.36 7.81 86 T 7.64 5.12 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 87 I 8.63 4.82 1.77 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 1.17 0.70 0.79 0.00 0.00 88 I 8.50 4.75 1.77 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 0.91 0.59 0.90 0.00 0.00 89 R 8.56 4.58 0.00 0.75 1.49 0.00 2.93 0.00 0.00 2.72 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.23 0.00 90 G 8.72 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 0.00 0.00 0.00 0.00 91 L 9.16 4.96 0.00 1.96 1.63 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 92 R 9.04 4.96 0.00 1.73 1.82 0.00 3.26 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 93 A 8.60 3.77 0.74 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 94 V 7.07 4.21 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 0.75 0.00 0.00 0.92 0.00 0.00 95 S 7.79 4.31 0.00 4.05 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 96 D 8.41 4.71 0.00 2.71 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 97 F 8.68 4.29 0.00 3.06 3.09 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 98 E 8.28 3.85 0.00 2.15 1.99 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 2.44 2.46 0.00 99 Y 8.40 4.11 0.00 3.22 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 0.00 100 E 8.40 3.84 0.00 2.04 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 2.70 2.61 0.00 101 L 7.62 3.73 0.00 1.64 1.50 0.46 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.86 3.80 0.00 1.89 1.90 0.00 3.15 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 103 L 7.59 3.75 0.00 1.23 1.59 0.58 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 104 T 8.04 3.88 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 1.29 0.00 0.00 105 S 8.28 4.05 0.00 3.84 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 0.00 106 M 8.23 4.01 0.00 2.25 2.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.61 0.00 107 N 8.11 4.32 0.00 2.95 2.83 0.00 0.00 6.67 7.46 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 0.00 108 K 8.00 3.97 0.00 1.83 2.00 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.48 7.81 109 K 7.68 4.12 0.00 1.95 1.85 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.70 1.61 7.81 110 L 7.74 4.42 0.00 1.74 1.74 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.21 4.65 0.00 2.68 2.64 0.00 0.00 7.02 6.09 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 0.00 112 N 8.57 4.72 0.00 2.87 3.06 0.00 0.00 6.28 7.66 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 0.00 113 E 8.48 4.34 0.00 2.10 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 2.30 2.26 0.00 114 I 7.35 4.70 1.97 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 1.20 0.75 0.87 0.00 0.00 115 E 8.81 4.67 0.00 1.92 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 2.25 2.43 0.00 116 T 8.48 4.68 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 0.84 0.00 0.00 117 L 9.05 4.82 0.00 1.54 1.61 1.08 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 8.84 5.10 0.00 2.86 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 0.00 119 M 8.96 4.75 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 120 M 8.72 4.78 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.54 0.00 121 S 8.80 4.54 0.00 3.99 3.78 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 0.00 122 S 8.30 4.47 0.00 4.10 4.05 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 0.00 123 T 8.50 3.94 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 1.24 0.00 0.00 124 N 7.92 4.51 0.00 2.46 2.18 0.00 0.00 6.76 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 7.93 5.12 0.00 3.18 2.90 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 0.00 126 S 8.19 4.35 0.00 3.97 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 0.00 127 F 8.33 4.90 0.00 3.06 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 I 7.41 4.60 1.87 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.07 1.14 0.00 0.00 129 S 7.91 4.68 0.00 4.01 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.65 4.21 0.00 3.93 4.16 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 0.00 131 S 8.10 4.09 0.00 3.85 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 0.00 132 I 7.47 3.62 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.12 0.91 0.00 0.00 133 V 7.59 3.43 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 1.08 0.00 0.00 0.88 0.00 0.00 134 K 8.57 4.14 0.00 1.99 2.00 0.00 1.87 0.00 0.00 1.95 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.74 1.77 7.81 135 E 8.25 3.71 0.00 2.11 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 2.39 2.37 0.00 136 V 7.62 3.55 2.15 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 0.77 0.00 0.00 1.02 0.00 0.00 137 A 7.93 4.04 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.38 2.73 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Y 6.69 4.51 0.00 2.93 2.90 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 0.00 140 R 8.02 3.80 0.00 2.00 2.06 0.00 3.20 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 141 A 7.78 4.46 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 0.00 142 D 8.62 4.57 0.00 2.73 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.37 4.74 2.22 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.37 1.14 0.00 0.00 144 S 8.19 4.35 0.00 4.04 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 0.00 145 E 7.73 4.10 0.00 1.66 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 1.47 2.14 0.00 146 F 8.37 5.13 0.00 3.26 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 0.00 147 V 7.42 4.22 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 0.81 0.00 0.00 0.97 0.00 0.00 148 P 0.00 4.74 0.00 2.21 2.05 0.00 3.51 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.75 0.00 149 P 0.00 4.26 0.00 2.25 2.22 0.00 3.67 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 150 Y 8.00 3.99 0.00 3.03 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 0.00 151 V 7.71 3.43 2.12 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 1.01 0.00 0.00 0.91 0.00 0.00 152 E 8.22 3.95 0.00 2.10 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 0.00 2.33 2.37 0.00 153 K 8.06 3.84 0.00 1.96 1.77 0.00 1.64 0.00 0.00 1.46 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.41 7.81 154 A 7.63 3.92 1.24 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 0.00 155 L 8.33 4.03 0.00 1.95 1.97 1.07 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.30 4.03 0.00 1.96 1.89 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.53 1.69 7.81 157 K 7.77 3.80 0.00 1.85 2.04 0.00 1.66 0.00 0.00 1.59 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.47 7.81 158 K 7.88 3.91 0.00 1.43 1.46 0.00 0.75 0.00 0.00 0.96 0.00 0.00 2.70 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.30 0.96 7.81 159 F 7.74 4.89 0.00 3.14 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 K 7.62 4.06 0.00 1.80 1.85 0.00 1.54 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.72 7.81 * Residues marked with a * may have inaccurate shift predictions.