NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 V 3.6588 8.0544 120.1635 62.2268 32.9078 174.5174 6 N 4.3970 8.3110 125.1348 53.0587 40.2630 171.8557 7 I 4.9828 9.2130 127.6146 59.7030 40.1014 174.2794 8 I 4.2195 8.8520 128.6762 59.5997 39.0677 174.7034 9 Q 4.5923 8.4187 126.4217 54.6062 29.6151 176.4776 10 D 4.7628 8.6065 123.7377 52.7265 41.2297 174.6414 11 F 4.8136 7.9604 119.2788 57.7971 40.2900 176.1506 12 I 4.0138 8.3147 122.6427 60.2901 38.0281 174.6255 13 P 4.2352 0.0000 0.0000 62.5545 31.7947 176.2350 14 V 3.6864 8.1823 122.4840 64.4814 31.8561 176.3192 15 G 3.8750 8.7790 114.1348 45.1787 0.0000 173.6498 16 A 4.1791 7.5274 122.6333 51.7414 19.0582 178.2384 17 N 4.3247 8.7795 117.8704 56.3007 38.6918 175.9537 18 N 4.9576 7.9989 112.8548 52.6651 37.6969 175.5352 19 R 4.3216 7.5191 119.4450 53.3499 29.8762 172.6667 20 P 4.0265 0.0000 0.0000 64.9708 31.6020 178.1321 21 G 3.7149 7.8163 102.3579 45.3140 0.0000 172.5431 22 Y 4.3933 7.4315 117.5414 57.1531 38.8364 175.4244 23 A 4.5139 8.7663 125.6757 52.8238 19.3036 176.4146 24 M 4.6845 8.8703 120.1979 54.3814 35.7355 175.2234 25 T 4.4215 8.5127 122.5509 60.2809 69.2140 170.9172 26 P 4.4708 0.0000 0.0000 63.4184 31.3901 176.5180 27 L 4.6087 8.7873 122.1748 54.6137 43.6697 175.5619 28 Y 5.2428 7.9811 115.2999 56.3145 43.3207 174.1202 29 I 5.1979 8.9658 120.2955 60.3019 41.1566 174.7027 30 T 5.2741 9.3204 124.6636 62.0635 70.9217 173.7967 31 V 4.8788 8.8295 126.7347 61.8914 33.8178 174.3203 32 H 5.3967 9.4658 123.6023 54.0940 33.5299 171.8999 33 N 5.5418 8.4917 116.4070 51.5866 40.7946 175.2593 34 T 3.7408 8.7308 114.4992 62.1688 69.3499 174.3274 35 A 3.7812 8.0742 123.5264 52.8635 16.7115 176.5082 36 N 4.7776 7.7995 118.0640 53.6944 39.3344 174.1291 37 T 4.9361 8.4449 113.8722 60.8271 69.9626 174.9571 38 A 4.2598 7.8617 126.9531 52.1527 18.9316 177.5421 39 V 3.9650 8.1646 122.0027 63.1456 31.8837 176.7939 40 G 3.8936 9.5084 112.6011 45.4209 0.0000 173.7804 41 A 4.3235 7.5350 124.4714 51.2781 17.2475 175.9332 42 D 4.9496 7.4131 123.8679 51.3346 43.8635 176.4446 43 A 4.0848 8.6124 120.1471 55.9069 18.3659 179.8796 44 A 2.6448 7.8615 118.2960 54.7344 18.3349 179.6088 45 A 3.9290 8.1637 119.3494 55.6381 18.3971 179.5747 46 H 4.1399 8.5302 114.6061 58.9823 28.5739 177.7845 47 A 4.0338 7.9677 121.8325 55.1815 18.2750 179.4386 48 R 3.9715 7.8399 116.7232 59.5551 30.2138 177.9346 49 Y 4.0332 8.1833 119.4871 60.8752 38.5842 178.2514 50 L 3.6497 7.9263 118.5113 57.2494 41.7015 178.8621 51 K 4.2015 7.3708 116.0743 56.0281 32.5643 176.8047 52 N 4.4070 7.4688 119.4212 52.2279 38.7770 174.3664 53 P 4.2674 0.0000 0.0000 65.1259 31.6413 176.9395 54 D 4.5684 7.8185 116.6464 55.7857 41.4998 177.2071 55 T 4.0326 7.5366 109.3191 61.9200 69.0171 174.0456 56 T 4.5473 8.5081 112.1228 61.5576 70.8390 173.9659 57 T 5.1197 7.8162 112.0633 60.7129 70.8247 174.2110 58 S 4.4360 9.1119 117.1034 57.1394 66.1054 173.1837 59 W 5.1689 7.4371 117.8305 55.4704 31.3798 174.7386 60 H 4.2677 9.0606 116.6857 58.2211 29.4644 175.7552 61 F 5.7964 9.0947 116.1177 56.0105 43.2076 174.2589 62 T 5.3815 9.3981 118.8299 61.9002 71.8269 173.0370 63 V 5.0346 9.5312 126.6888 61.2619 34.7045 174.1567 64 D 5.7386 8.7575 127.6169 51.4024 42.5288 176.0407 65 D 4.6500 8.9945 116.4375 55.5244 39.8733 176.7337 66 T 4.4010 8.2555 115.7367 64.8263 70.5103 173.1676 67 E 4.7917 9.3409 117.9910 55.6461 33.4879 173.8080 68 I 5.4271 8.5007 118.3680 60.1314 41.5102 174.4408 69 Y 5.1138 9.3265 123.3059 56.2076 41.5238 174.3251 70 Q 4.9152 9.0771 124.4555 54.9979 31.1793 175.3314 71 H 5.0116 8.8612 122.9511 56.1510 30.3890 174.9029 72 L 4.2487 7.2222 116.8122 51.7689 45.8382 174.0193 73 P 4.1988 0.0000 0.0000 62.1427 32.1065 177.1648 74 L 4.0668 8.4111 119.3435 56.2622 41.6463 177.2707 75 N 4.8985 7.9217 115.9374 52.5762 37.8126 173.8216 76 E 5.2473 7.8799 118.8703 54.6640 33.5423 175.1125 77 N 4.6990 8.3880 119.7019 52.0781 39.3946 173.6926 78 G 4.0075 7.8837 104.8443 44.2981 0.0000 172.5971 79 W 5.5344 8.5607 119.5759 55.8043 29.2001 175.9169 80 H 4.9100 10.2489 118.6334 56.4448 33.7646 176.2385 81 A 4.0147 8.0516 122.1759 53.0888 18.3218 177.7789 82 G 4.0196 7.6632 100.1264 46.6846 0.0000 173.4442 83 D 4.9827 7.7002 117.5906 52.7788 41.2349 178.9155 84 G 3.7880 7.9759 114.9683 48.4081 0.0000 174.5721 85 N 4.8416 9.0392 118.0278 52.5670 38.7280 174.8565 86 G 3.8179 7.9991 109.9703 44.9892 0.0000 175.1764 87 S 3.9448 8.3155 114.0212 60.9999 63.0296 177.4530 88 G 2.0000 6.6351 109.0208 47.9930 0.0000 174.8220 89 N 4.3737 8.0137 118.6634 55.0493 38.8003 177.1213 90 R 3.8343 8.0356 114.3434 56.5140 30.7250 176.8357 91 A 4.9361 7.9481 121.1418 50.9612 20.0857 175.8765 92 S 5.2348 8.1504 111.7349 58.6465 66.7605 173.1031 93 I 4.2346 8.7822 122.5680 60.1796 38.6752 175.1051 94 G 4.2550 9.1543 114.8954 45.4605 0.0000 172.2813 95 I 5.4381 9.2106 125.7335 59.5597 40.9609 174.2195 96 E 4.9939 9.6892 126.1649 54.5382 32.4811 174.8722 97 I 4.9022 8.2380 124.7251 59.6241 39.6061 175.3723 98 C 4.6411 9.0139 125.2519 59.4781 29.2173 173.3770 99 E 4.8426 8.5535 118.7091 55.8220 30.8337 175.4952 100 N 4.7703 8.3784 116.6218 53.0661 37.6149 175.6182 101 A 3.9902 8.4499 124.9517 55.4206 18.5438 178.2115 102 D 4.6313 8.1744 112.1043 53.7407 39.6580 175.5925 103 G 4.1556 7.9224 108.3925 43.7822 0.0000 172.5312 104 D 4.8613 8.8049 118.3333 52.2396 42.6656 176.4454 105 F 4.2180 8.9520 129.3024 61.4353 39.5783 176.5926 106 A 4.0167 8.1661 119.9281 55.1438 18.2442 179.3986 107 K 3.9099 8.6383 118.1033 59.4425 32.2481 179.0425 108 A 4.2524 7.9006 122.5462 54.8637 18.2455 179.7496 109 T 3.7000 8.1009 114.5059 66.6312 68.4881 176.7820 110 A 4.2713 7.8420 123.9500 54.7651 18.4156 179.4950 111 N 4.4101 8.2462 114.7531 56.3343 38.5052 177.5868 112 A 4.1259 8.2270 122.4022 55.2803 18.4560 179.7254 113 Q 3.7874 8.4101 116.7442 58.5292 28.6596 178.8024 114 W 4.1210 8.1915 129.4090 60.3705 30.7449 177.5993 115 L 3.1003 8.0937 120.1894 58.1784 41.3758 179.0634 116 I 3.5971 7.9267 119.8707 64.0434 36.9279 178.3578 117 K 3.7651 7.9043 120.4713 59.7065 31.9569 179.0094 118 T 3.5819 7.3615 115.9119 66.5069 68.1956 176.5810 119 L 3.9728 7.8341 121.0725 58.0000 41.6099 179.3568 120 M 3.9765 8.1360 118.4587 58.6288 31.7380 178.8056 121 A 4.0944 7.4963 118.8003 55.0005 18.6335 179.2516 122 E 4.0596 8.2890 116.6981 58.6542 29.4975 177.6386 123 H 4.6763 8.0200 113.7921 54.4807 30.0191 173.8010 124 N 4.0905 7.9337 115.5569 54.8512 36.7621 173.6096 125 I 4.4495 8.0166 118.8153 59.2112 40.0730 176.7875 126 S 4.3668 8.3095 119.5546 57.4912 64.1575 174.8109 127 L 3.8148 8.5643 123.5256 58.2409 41.9648 179.2148 128 A 4.0612 7.3704 120.9725 54.8314 18.5815 177.6044 129 N 4.7813 8.4513 112.8829 53.3962 38.5257 174.4835 130 V 4.5678 7.5914 119.9305 61.9356 31.9075 175.3533 131 V 4.7641 9.1124 121.6435 58.7537 35.7966 173.4178 132 P 4.4376 0.0000 0.0000 61.6686 33.0443 176.2054 133 H 4.1728 8.5016 120.8004 59.4907 30.0741 177.0528 134 K 4.0643 8.0822 119.6613 58.8642 32.0760 177.5238 135 Y 3.7120 7.5803 118.4321 60.3377 38.6970 177.4324 136 W 4.5494 7.9834 118.6701 58.5673 29.3936 177.1164 137 S 4.5450 7.8878 108.4660 56.9532 63.6443 174.7758 138 G 3.8168 9.0730 110.3591 45.4837 0.0000 173.9133 139 K 4.1344 7.2817 119.8998 55.8848 32.9251 176.5651 140 E 4.5040 8.2727 124.6168 55.1880 27.7030 174.9257 141 C 4.6576 7.4466 120.5377 56.8286 35.3043 171.1152 142 P 4.6345 0.0000 0.0000 62.2838 30.9295 176.9063 143 R 3.8777 8.7212 121.2343 58.7776 29.3154 177.5130 144 K 4.1655 7.8782 115.2985 56.9398 32.8356 177.7128 *173 L 4.8153 7.5484 117.9841 54.4806 44.0038 178.7391 174 L 4.0391 8.0921 119.3794 58.0720 41.5886 179.4292 175 D 4.5709 8.2163 116.1309 56.7336 41.0153 177.0494 176 T 4.7345 7.8738 108.8982 60.4066 69.5623 175.7867 177 W 4.4986 8.4303 133.0237 62.0817 30.5363 176.9578 178 D 4.2716 8.3875 117.8631 57.7363 40.0319 179.1050 179 S 4.0998 7.9654 114.1217 61.2371 63.1726 175.9809 180 F 4.2584 8.2333 123.6351 61.2180 39.0694 177.4057 181 K 3.3160 7.8339 118.1616 59.1366 31.5735 179.2142 182 A 3.9674 7.8250 120.0137 54.5753 18.2965 179.0888 183 G 3.6487 7.2410 101.8356 45.6729 0.0000 175.2267 184 I 3.4471 7.1861 122.2015 64.0315 37.3334 176.3448 185 G 4.1511 7.8396 111.6083 45.9856 0.0000 173.1886 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 V 8.05 3.66 1.80 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 0.89 0.00 0.00 0.59 0.00 0.00 6 N 8.31 4.40 0.00 2.87 2.62 0.00 0.00 6.98 6.54 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 7 I 9.21 4.98 2.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.15 1.14 0.00 0.00 8 I 8.85 4.22 0.56 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.43 0.52 0.00 0.00 9 Q 8.42 4.59 0.00 1.64 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.30 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 10 D 8.61 4.76 0.00 2.77 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 11 F 7.96 4.81 0.00 2.87 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 12 I 8.31 4.01 1.75 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.51 0.81 0.00 0.00 13 P 0.00 4.24 0.00 2.14 1.97 0.00 3.55 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 14 V 8.18 3.69 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 0.73 0.00 0.00 0.92 0.00 0.00 15 G 8.78 3.87 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 0.00 0.00 0.00 16 A 7.53 4.18 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.78 4.32 0.00 2.72 2.94 0.00 0.00 6.93 8.00 0.00 0.00 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 8.00 4.96 0.00 2.92 2.99 0.00 0.00 5.71 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 19 R 7.52 4.32 0.00 1.61 1.71 0.00 3.25 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.34 0.00 20 P 0.00 4.03 0.00 1.69 1.67 0.00 3.30 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.29 0.00 21 G 7.82 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 22 Y 7.43 4.39 0.00 3.08 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 23 A 8.77 4.51 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 24 M 8.87 4.68 0.00 1.93 1.86 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.58 0.00 25 T 8.51 4.42 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 1.22 0.00 0.00 26 P 0.00 4.47 0.00 2.17 2.07 0.00 3.72 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 1.97 1.89 0.00 27 L 8.79 4.61 0.00 1.30 1.32 0.95 0.76 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 28 Y 7.98 5.24 0.00 3.15 3.25 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 29 I 8.97 5.20 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.95 1.08 0.00 0.00 30 T 9.32 5.27 4.57 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 1.44 0.00 0.00 31 V 8.83 4.88 2.44 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 1.07 0.00 0.00 1.41 0.00 0.00 32 H 9.47 5.40 0.00 3.02 3.10 0.00 5.61 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 33 N 8.49 5.54 0.00 2.56 2.92 0.00 0.00 6.94 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 34 T 8.73 3.74 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 35 A 8.07 3.78 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 7.80 4.78 0.00 2.77 2.77 0.00 0.00 7.04 8.69 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 37 T 8.44 4.94 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 1.15 0.00 0.00 38 A 7.86 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 39 V 8.16 3.97 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 0.74 0.00 0.00 0.95 0.00 0.00 40 G 9.51 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 0.00 0.00 0.00 41 A 7.53 4.32 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 42 D 7.41 4.95 0.00 3.22 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 43 A 8.61 4.08 1.61 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 0.00 0.00 44 A 7.86 2.64 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 0.00 0.00 0.00 0.00 0.00 45 A 8.16 3.93 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.53 4.14 0.00 3.57 3.65 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.97 4.03 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 48 R 7.84 3.97 0.00 1.89 2.11 0.00 3.12 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 1.63 0.00 49 Y 8.18 4.03 0.00 3.10 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 50 L 7.93 3.65 0.00 1.39 1.39 -0.38 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 51 K 7.37 4.20 0.00 1.74 1.80 0.00 1.71 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.70 7.81 52 N 7.47 4.41 0.00 2.58 2.87 0.00 0.00 6.90 8.10 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 53 P 0.00 4.27 0.00 2.00 2.10 0.00 3.61 0.00 0.00 3.74 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 54 D 7.82 4.57 0.00 2.62 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 55 T 7.54 4.03 4.06 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 0.41 0.00 0.00 56 T 8.51 4.55 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 1.28 0.00 0.00 57 T 7.82 5.12 4.61 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 1.38 0.00 0.00 58 S 9.11 4.44 0.00 3.57 3.70 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 59 W 7.44 5.17 0.00 3.36 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 60 H 9.06 4.27 0.00 3.27 2.98 0.00 5.56 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 9.09 5.80 0.00 3.11 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 62 T 9.40 5.38 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 63 V 9.53 5.03 2.18 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 1.23 0.00 0.00 1.07 0.00 0.00 64 D 8.76 5.74 0.00 2.89 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 65 D 8.99 4.65 0.00 2.83 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 66 T 8.26 4.40 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 1.24 0.00 0.00 67 E 9.34 4.79 0.00 2.01 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 2.33 2.55 0.00 68 I 8.50 5.43 2.02 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 1.38 1.06 1.13 0.00 0.00 69 Y 9.33 5.11 0.00 3.05 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 70 Q 9.08 4.92 0.00 2.30 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.64 0.00 0.00 0.00 0.00 0.00 2.27 1.27 0.00 71 H 8.86 5.01 0.00 3.02 3.17 0.00 5.63 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.22 4.25 0.00 1.21 1.19 0.64 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.20 0.00 2.36 1.92 0.00 3.13 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.78 0.00 74 L 8.41 4.07 0.00 1.68 1.68 1.12 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 75 N 7.92 4.90 0.00 2.84 3.03 0.00 0.00 5.99 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 76 E 7.88 5.25 0.00 1.90 1.67 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 2.08 2.10 0.00 77 N 8.39 4.70 0.00 2.89 2.74 0.00 0.00 6.64 6.72 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 78 G 7.88 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 79 W 8.56 5.53 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 80 H 10.25 4.91 0.00 3.33 3.92 0.00 5.46 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.05 4.01 1.16 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 0.00 0.00 82 G 7.66 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 7.70 4.98 0.00 2.79 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 84 G 7.98 3.79 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 0.00 0.00 0.00 85 N 9.04 4.84 0.00 2.67 2.77 0.00 0.00 6.74 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.00 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 87 S 8.32 3.94 0.00 3.54 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 88 G 6.64 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 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.01 4.37 0.00 3.05 3.19 0.00 0.00 7.07 7.67 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 90 R 8.04 3.83 0.00 1.81 1.89 0.00 3.24 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 91 A 7.95 4.94 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 92 S 8.15 5.23 0.00 4.17 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 93 I 8.78 4.23 2.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.72 1.13 0.00 0.00 94 G 9.15 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 9.21 5.44 2.06 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.01 1.08 0.00 0.00 96 E 9.69 4.99 0.00 1.79 1.61 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 1.47 1.47 0.00 97 I 8.24 4.90 2.15 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 1.28 1.01 0.79 0.00 0.00 98 C 9.01 4.64 0.00 2.95 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 99 E 8.55 4.84 0.00 2.13 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 2.06 2.30 0.00 100 N 8.38 4.77 0.00 3.14 3.09 0.00 0.00 6.02 7.01 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 0.00 101 A 8.45 3.99 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 0.00 102 D 8.17 4.63 0.00 2.83 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 G 7.92 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 0.00 0.00 0.00 104 D 8.80 4.86 0.00 2.83 2.58 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 0.00 105 F 8.95 4.22 0.00 3.15 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 0.00 106 A 8.17 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.64 3.91 0.00 2.10 1.96 0.00 1.51 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.49 7.81 108 A 7.90 4.25 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 0.00 109 T 8.10 3.70 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 1.36 0.00 0.00 110 A 7.84 4.27 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.25 4.41 0.00 2.99 2.96 0.00 0.00 6.90 7.19 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 0.00 112 A 8.23 4.13 1.52 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 0.00 0.00 113 Q 8.41 3.79 0.00 2.21 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 1.69 2.55 0.00 114 W 8.19 4.12 0.00 3.41 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.09 3.10 0.00 1.80 1.78 0.13 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 116 I 7.93 3.60 1.89 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.64 0.85 0.00 0.00 117 K 7.90 3.77 0.00 1.81 1.72 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.75 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.43 7.81 118 T 7.36 3.58 3.70 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 0.96 0.00 0.00 119 L 7.83 3.97 0.00 1.88 1.71 0.85 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 120 M 8.14 3.98 0.00 2.07 2.22 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 2.71 2.67 0.00 121 A 7.50 4.09 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 0.00 122 E 8.29 4.06 0.00 2.03 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 2.26 2.26 0.00 123 H 8.02 4.68 0.00 3.18 3.27 0.00 5.80 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 N 7.93 4.09 0.00 2.72 2.75 0.00 0.00 6.98 7.94 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 0.00 125 I 8.02 4.45 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.88 0.97 0.00 0.00 126 S 8.31 4.37 0.00 3.97 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 0.00 127 L 8.56 3.81 0.00 1.68 1.67 0.83 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.37 4.06 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 N 8.45 4.78 0.00 2.93 2.88 0.00 0.00 6.40 8.35 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 0.00 130 V 7.59 4.57 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 0.93 0.00 0.00 1.00 0.00 0.00 131 V 9.11 4.76 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 0.15 0.00 0.00 0.74 0.00 0.00 132 P 0.00 4.44 0.00 1.66 0.49 0.00 3.15 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.87 0.00 133 H 8.50 4.17 0.00 3.04 3.47 0.00 5.63 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 K 8.08 4.06 0.00 1.88 1.62 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.39 7.81 135 Y 7.58 3.71 0.00 2.48 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 0.00 0.00 0.00 136 W 7.98 4.55 0.00 3.48 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 0.00 137 S 7.89 4.55 0.00 3.95 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 0.00 138 G 9.07 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 0.00 139 K 7.28 4.13 0.00 1.75 1.43 0.00 1.52 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.34 7.81 140 E 8.27 4.50 0.00 1.95 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 2.27 2.20 0.00 141 C 7.45 4.66 0.00 2.88 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 P 0.00 4.63 0.00 2.28 2.21 0.00 3.49 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 143 R 8.72 3.88 0.00 1.89 2.25 0.00 2.97 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 144 K 7.88 4.17 0.00 1.79 1.70 0.00 1.37 0.00 0.00 0.61 0.00 0.00 2.27 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.26 1.22 7.81 *173 L 7.55 4.82 0.00 1.76 1.88 0.80 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 174 L 8.09 4.04 0.00 1.72 1.71 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 175 D 8.22 4.57 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 0.00 176 T 7.87 4.73 4.33 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 1.27 0.00 0.00 177 W 8.43 4.50 0.00 3.66 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 0.00 178 D 8.39 4.27 0.00 2.81 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 0.00 179 S 7.97 4.10 0.00 4.03 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 0.00 180 F 8.23 4.26 0.00 3.00 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 0.00 181 K 7.83 3.32 0.00 1.60 1.54 0.00 1.71 0.00 0.00 1.41 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.85 0.35 7.81 182 A 7.82 3.97 1.29 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 0.00 0.00 183 G 7.24 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 I 7.19 3.45 1.72 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.21 0.77 0.00 0.00 185 G 7.84 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.