NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.8717 8.1676 115.8993 57.2160 40.1825 176.7679 11 H 3.3848 5.8682 118.3420 56.9910 27.5727 173.5716 12 E 3.9180 8.1581 123.2526 58.0515 29.8705 178.7760 13 M 4.4092 7.4743 115.2987 55.2123 32.4464 176.5388 14 R 4.4558 7.4219 117.3276 55.8491 32.4935 175.9035 15 E 3.9999 8.1460 117.8151 55.1374 29.9839 174.8226 16 P 4.2027 0.0000 0.0000 63.2682 32.2735 174.9303 17 R 4.1867 7.5143 114.0028 55.6887 33.3254 173.4960 18 I 4.3579 8.1661 120.5370 60.3603 37.7969 175.5166 19 E 4.2847 9.1108 129.6504 58.3253 29.9091 176.3312 20 K 5.3110 7.5526 116.1982 56.3241 36.1510 174.7698 21 V 4.6919 8.0393 119.9186 60.0465 33.2516 174.1189 22 V 4.0202 7.9297 126.7201 62.1724 33.2695 175.2486 23 V 4.3681 8.1129 118.4904 60.0637 34.8659 173.6397 24 H 5.8203 8.3903 124.6153 53.4430 33.5308 172.2315 25 M 4.5327 8.2513 120.5077 53.6003 35.3790 175.0121 26 G 4.0867 8.4933 112.4221 43.8155 0.0000 174.0896 27 I 4.6587 7.9135 135.0000 60.3915 35.7129 178.3412 28 G 4.0871 7.7486 116.6922 47.1430 0.0000 171.5649 29 H 4.4417 7.7988 120.5269 55.7979 32.6330 174.7545 *35 A 4.4419 7.2469 120.1012 51.3057 19.4279 179.4414 36 N 4.3032 9.2142 122.9950 57.7119 37.1802 175.5014 37 A 4.2080 7.9066 121.4714 53.4703 18.2951 178.3442 38 E 4.0447 8.0802 117.8115 58.4065 29.7480 178.3329 39 D 4.4623 7.8912 119.2551 57.4125 40.9824 178.2156 40 I 3.6774 7.2502 112.3531 64.4001 37.2605 178.2116 41 L 4.1387 7.9305 119.0984 56.6423 41.4825 179.2119 42 G 3.7104 7.7644 104.8569 45.9787 0.0000 174.9651 43 E 4.3962 8.0332 120.3473 58.4519 30.2815 177.9509 44 I 3.9483 7.8073 115.6596 63.6301 38.0635 174.8021 45 T 4.3320 9.0121 105.7236 61.0278 71.4249 172.9930 46 G 3.5128 7.0933 116.6808 44.0946 0.0000 172.5614 47 Q 4.3624 7.5001 117.9427 55.7272 30.7497 172.7252 48 M 4.4927 8.3419 116.8541 54.0393 33.5912 174.8213 49 P 4.9493 0.0000 0.0000 61.7507 33.9068 175.1786 50 V 4.4957 7.7600 116.2193 62.0685 34.8289 174.7799 51 R 4.5559 8.5145 125.6539 56.4074 31.4072 176.5931 52 T 4.4659 8.1761 115.2880 62.0416 71.3959 173.2773 53 K 5.4117 8.8055 125.2471 55.1584 33.5067 177.1091 54 A 4.6140 7.6510 123.6971 50.9894 21.1692 176.3379 55 K 4.5210 8.0340 114.7581 56.2556 36.1812 178.0697 56 R 4.0279 8.8455 121.0984 56.1960 28.6222 175.1889 57 T 4.7949 8.1684 114.5425 62.0829 69.7698 174.6045 58 V 4.5140 8.2436 125.7590 60.6526 34.2183 176.6758 59 G 3.6804 8.5959 113.2021 47.9892 0.0000 174.0514 60 E 4.2640 8.0530 119.2055 57.5070 29.2384 176.1214 61 F 4.2777 8.0198 114.0485 60.5756 39.0631 174.3922 62 D 4.8923 7.7886 113.5514 53.0892 41.3591 176.1178 63 I 3.7560 7.7560 114.7359 63.5879 38.6458 177.3716 64 R 3.8161 7.8538 121.2936 56.1987 29.4350 174.9080 65 E 4.0181 8.2255 128.6590 58.5628 30.3042 177.3608 66 G 4.0880 7.6060 114.6417 45.3553 0.0000 170.9039 67 D 4.8664 7.9833 124.4089 51.0867 43.4060 173.0573 68 P 4.6316 0.0000 0.0000 62.6929 31.6490 176.4014 69 I 4.5011 10.0169 130.0382 59.1432 37.8750 176.5321 70 G 3.8208 7.4172 108.8457 46.0212 0.0000 171.9796 71 A 5.4063 8.0649 119.4406 52.1030 22.7197 175.7615 72 K 5.1906 8.2541 117.0139 55.3976 36.8210 175.4238 73 V 4.5855 7.9670 120.4108 61.7502 34.7161 173.4671 74 T 4.3554 8.5640 119.2812 60.9943 69.9173 173.9236 75 L 4.6636 8.1862 126.7005 52.9604 43.6602 175.8812 76 R 4.8187 8.4046 122.1823 55.1195 33.4257 176.5878 77 D 4.8012 8.8750 119.4243 55.1051 37.8553 177.1240 78 E 4.3573 8.6919 122.8442 60.2359 29.4444 178.4005 79 M 3.9940 8.2571 118.1887 58.3606 31.7953 178.5760 80 A 4.2012 7.8101 120.2243 55.1392 18.6971 179.2445 81 E 4.1126 8.1900 116.3962 59.9487 29.4541 179.3304 82 E 3.9298 8.2816 117.2594 59.4023 29.7522 179.0187 83 F 4.4100 7.8217 119.1017 60.8986 39.5583 177.4345 84 L 4.0358 8.7678 118.9648 56.8266 41.1087 178.2178 85 Q 4.5006 8.2478 117.7377 56.0929 28.6701 176.1452 86 T 4.4832 7.3376 108.9284 62.6633 73.5070 175.3431 87 A 3.9292 7.7705 125.2261 54.9452 19.0106 179.1404 88 L 3.6993 8.0459 115.2010 57.5854 41.8471 178.1760 89 P 4.2043 0.0000 0.0000 65.6727 31.2666 177.2632 90 L 4.2756 7.9297 114.6178 55.0225 41.3798 176.4862 91 A 4.5185 7.7148 121.3120 50.4327 21.8768 176.7304 92 E 4.3515 8.4778 121.9660 54.5986 28.7380 176.1006 93 L 4.1992 8.1183 123.2433 54.4987 42.5973 176.8642 94 A 5.2341 8.1445 123.2071 50.1324 22.0164 175.1395 95 T 4.1489 8.1835 111.4341 66.2965 69.0792 177.0910 96 S 4.3956 7.9961 114.9561 60.2797 63.0288 174.4407 97 Q 4.5549 8.3711 120.4163 56.0151 28.5152 174.8578 98 F 5.0687 8.0422 116.3186 55.5871 41.7339 174.9256 99 D 4.7747 8.7615 123.6365 53.4831 41.9532 177.1671 100 D 4.5042 8.5758 121.6676 57.2500 40.9091 177.8744 101 T 4.3618 7.3558 113.2513 63.3353 68.8115 175.3809 102 G 4.0348 8.2404 109.7629 45.9667 0.0000 173.1102 103 N 5.2700 7.7183 118.5364 52.5650 41.5425 173.3675 104 F 4.8390 7.2649 109.9324 56.9519 41.1431 172.9927 105 S 5.0220 8.3049 117.2809 56.4073 65.5942 173.1876 106 F 4.8571 8.3651 120.9466 55.5788 40.6797 174.2442 107 G 4.4957 8.3890 110.2795 45.6422 0.0000 171.4358 *128 L 4.0981 7.7041 120.5666 55.1470 43.2985 176.7597 129 D 5.1844 8.3581 122.3467 52.7731 45.6703 175.3851 130 V 4.3613 7.6270 118.8509 62.4683 34.6678 173.1973 131 T 4.6929 8.2198 124.4477 61.5231 72.2762 173.3572 132 V 4.3461 7.7443 122.6825 61.1390 34.8424 173.6947 133 N 5.0233 9.2024 127.5591 52.3221 39.9864 173.4461 134 L 5.2323 8.0399 126.1254 53.1842 43.2522 176.1980 135 V 4.1121 7.4836 118.6840 60.9688 35.2496 171.7734 136 R 4.0914 8.2905 120.8775 56.0419 30.6045 176.7063 137 P 4.1748 0.0000 0.0000 65.4848 32.1058 176.9280 138 G 4.0652 7.7569 106.7111 46.0081 0.0000 174.1290 139 Y 4.3405 7.9618 119.0125 58.2365 39.2464 175.3528 140 R 3.9862 7.8785 119.3126 59.9424 30.2492 177.8449 141 V 3.5238 7.4248 117.2888 65.8193 31.0982 177.6055 142 A 4.4382 7.4651 120.0680 53.3422 19.1025 178.5882 143 K 4.1414 7.1535 113.4365 58.6750 32.8523 178.2053 144 R 4.3218 7.9812 117.0027 55.7648 31.3337 173.7088 145 D 4.7075 8.4390 112.8951 56.4024 41.7960 176.4327 146 K 3.9843 7.8767 118.6346 56.9853 32.3454 177.1333 147 A 3.9097 8.8124 126.5058 52.6577 16.1809 177.0280 148 S 4.5213 7.0410 111.9467 61.0281 63.8072 173.8540 149 R 4.6142 8.6873 120.6364 54.9250 33.6528 174.4631 150 S 4.5631 8.6989 120.4379 58.4453 63.5915 172.9518 151 I 4.3229 8.0018 123.7929 58.9620 38.4205 174.4408 152 P 4.3489 0.0000 0.0000 62.7400 31.6033 177.4417 153 T 4.0250 8.6357 112.8216 63.6804 68.7715 174.9469 154 K 4.1895 7.9606 121.0329 58.8987 32.7464 176.7873 155 H 4.6431 8.2041 115.9222 56.0748 29.6659 174.9804 156 R 4.4246 7.6028 116.4558 55.2061 30.9625 175.4682 157 L 4.2900 8.2329 121.9568 54.6171 43.0611 176.0067 158 N 4.8891 8.5599 122.8018 51.1857 41.6204 174.4819 159 P 4.3061 0.0000 0.0000 65.9061 31.4856 178.9929 160 A 3.8959 7.8408 118.9792 55.2678 18.3202 179.2772 161 D 4.3449 8.1016 116.6726 57.2219 40.8802 178.8800 162 A 4.0613 7.8296 121.4198 55.0967 18.4231 179.5650 163 V 3.2269 7.2328 116.5173 66.0965 31.5090 177.7394 164 A 3.9405 7.7650 119.8293 55.3283 17.9944 179.2172 165 F 4.0636 7.7951 117.3889 61.5261 39.8831 177.0276 166 I 3.6426 7.8151 119.1111 64.5041 36.7844 177.9903 167 E 4.1974 8.0191 119.9959 58.4218 29.3139 177.5698 168 S 4.5804 7.4328 111.2630 57.9215 64.3360 175.1445 169 T 4.6995 7.5525 114.4075 62.5622 70.4560 173.1928 170 Y 3.3040 7.7551 121.3659 56.9521 34.9486 167.9384 171 D 4.3611 6.3803 118.2881 53.7135 42.2494 175.5958 172 V 4.5947 7.7503 118.2115 60.8842 35.6578 176.4911 173 E 4.7056 8.1199 127.8555 54.8392 28.1295 176.8828 174 V 3.7271 8.7448 119.0696 63.2953 31.4234 175.0126 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 10 F 8.17 4.87 0.00 3.35 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 11 H 5.87 3.38 0.00 3.00 2.14 0.00 5.47 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.16 3.92 0.00 1.68 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 2.22 2.17 0.00 13 M 7.47 4.41 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.69 0.00 14 R 7.42 4.46 0.00 1.81 1.89 0.00 3.27 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 15 E 8.15 4.00 0.00 2.12 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 2.36 2.20 0.00 16 P 0.00 4.20 0.00 1.06 1.64 0.00 3.63 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 17 R 7.51 4.19 0.00 1.74 1.85 0.00 2.72 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.49 0.00 18 I 8.17 4.36 1.94 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 1.43 0.81 0.97 0.00 0.00 19 E 9.11 4.28 0.00 1.84 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 2.28 2.25 0.00 20 K 7.55 5.31 0.00 1.78 1.82 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.23 7.81 21 V 8.04 4.69 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 1.39 0.00 0.00 0.99 0.00 0.00 22 V 7.93 4.02 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 1.16 0.00 0.00 0.86 0.00 0.00 23 V 8.11 4.37 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 0.41 0.00 0.00 0.74 0.00 0.00 24 H 8.39 5.82 0.00 3.03 3.01 0.00 5.57 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 M 8.25 4.53 0.00 1.87 1.83 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 26 G 8.49 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 27 I 7.91 4.66 1.72 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 1.16 0.51 0.69 0.00 0.00 28 G 7.75 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 29 H 7.80 4.44 0.00 3.14 3.34 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 A 7.25 4.44 1.11 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 36 N 9.21 4.30 0.00 2.92 3.10 0.00 0.00 5.84 7.60 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 37 A 7.91 4.21 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 38 E 8.08 4.04 0.00 2.24 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 0.00 2.30 2.33 0.00 39 D 7.89 4.46 0.00 2.71 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 40 I 7.25 3.68 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.68 0.91 0.00 0.00 41 L 7.93 4.14 0.00 1.59 1.71 0.94 0.78 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 42 G 7.76 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 43 E 8.03 4.40 0.00 2.15 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 2.26 2.29 0.00 44 I 7.81 3.95 1.93 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.91 0.95 0.00 0.00 45 T 9.01 4.33 4.10 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 0.93 0.00 0.00 46 G 7.09 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 0.00 0.00 0.00 47 Q 7.50 4.36 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.78 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 48 M 8.34 4.49 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 49 P 0.00 4.95 0.00 2.01 1.98 0.00 3.71 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 1.98 1.98 0.00 50 V 7.76 4.50 2.16 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 0.74 0.00 0.00 0.91 0.00 0.00 51 R 8.51 4.56 0.00 1.72 1.86 0.00 3.40 0.00 0.00 2.53 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.44 0.00 52 T 8.18 4.47 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 1.20 0.00 0.00 53 K 8.81 5.41 0.00 1.62 1.71 0.00 1.77 0.00 0.00 2.35 0.00 0.00 2.74 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.26 7.81 54 A 7.65 4.61 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 55 K 8.03 4.52 0.00 1.58 1.65 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.44 7.81 56 R 8.85 4.03 0.00 1.99 2.07 0.00 3.18 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 57 T 8.17 4.79 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 1.24 0.00 0.00 58 V 8.24 4.51 2.11 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 1.02 0.00 0.00 0.99 0.00 0.00 59 G 8.60 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.05 4.26 0.00 2.14 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 2.31 2.33 0.00 61 F 8.02 4.28 0.00 3.00 3.03 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 62 D 7.79 4.89 0.00 2.76 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 63 I 7.76 3.76 1.92 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 1.39 0.74 1.01 0.00 0.00 64 R 7.85 3.82 0.00 1.74 2.05 0.00 3.19 0.00 0.00 3.09 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 65 E 8.23 4.02 0.00 1.96 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 2.28 2.30 0.00 66 G 7.61 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 67 D 7.98 4.87 0.00 2.64 2.68 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 0.00 0.00 0.00 0.00 68 P 0.00 4.63 0.00 1.94 2.05 0.00 3.59 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 69 I 10.02 4.50 1.93 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 1.13 1.18 0.88 0.00 0.00 70 G 7.42 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 71 A 8.06 5.41 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 72 K 8.25 5.19 0.00 1.74 1.84 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.23 7.81 73 V 7.97 4.59 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 0.99 0.00 0.00 0.88 0.00 0.00 74 T 8.56 4.36 4.20 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 1.17 0.00 0.00 75 L 8.19 4.66 0.00 1.68 1.58 0.59 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.40 4.82 0.00 1.64 1.79 0.00 3.25 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.60 0.00 77 D 8.88 4.80 0.00 2.89 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.69 4.36 0.00 2.02 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 2.41 2.27 0.00 79 M 8.26 3.99 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.64 0.00 80 A 7.81 4.20 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 81 E 8.19 4.11 0.00 2.04 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 2.45 2.46 0.00 82 E 8.28 3.93 0.00 2.03 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 2.36 2.50 0.00 83 F 7.82 4.41 0.00 3.28 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.77 4.04 0.00 1.89 1.73 1.08 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.25 4.50 0.00 1.89 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.74 0.00 0.00 0.00 0.00 0.00 2.18 2.39 0.00 86 T 7.34 4.48 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 87 A 7.77 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.05 3.70 0.00 1.71 1.70 0.97 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.20 0.00 1.98 2.09 0.00 3.65 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.08 0.00 90 L 7.93 4.28 0.00 1.72 1.70 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.71 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.48 4.35 0.00 1.96 1.93 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 2.24 2.30 0.00 93 L 8.12 4.20 0.00 1.68 1.74 0.94 0.66 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 94 A 8.14 5.23 1.28 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 0.00 0.00 95 T 8.18 4.15 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 1.18 0.00 0.00 96 S 8.00 4.40 0.00 4.03 4.04 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 97 Q 8.37 4.55 0.00 2.38 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 98 F 8.04 5.07 0.00 3.10 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 99 D 8.76 4.77 0.00 2.81 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 0.00 100 D 8.58 4.50 0.00 2.73 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 0.00 101 T 7.36 4.36 4.29 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 1.25 0.00 0.00 102 G 8.24 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 0.00 0.00 0.00 103 N 7.72 5.27 0.00 2.84 2.94 0.00 0.00 6.62 8.13 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 0.00 104 F 7.26 4.84 0.00 2.78 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 0.00 0.00 0.00 105 S 8.30 5.02 0.00 3.77 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 0.00 106 F 8.37 4.86 0.00 3.05 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 0.00 107 G 8.39 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *128 L 7.70 4.10 0.00 1.74 1.57 0.91 1.10 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 0.00 129 D 8.36 5.18 0.00 2.59 2.39 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 0.00 130 V 7.63 4.36 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.91 0.00 0.00 131 T 8.22 4.69 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 1.08 0.00 0.00 132 V 7.74 4.35 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 1.08 0.00 0.00 0.73 0.00 0.00 133 N 9.20 5.02 0.00 2.75 2.62 0.00 0.00 6.64 6.36 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 0.00 134 L 8.04 5.23 0.00 1.58 1.50 1.21 1.11 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 0.00 135 V 7.48 4.11 1.60 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 0.08 0.00 0.00 0.75 0.00 0.00 136 R 8.29 4.09 0.00 1.81 1.79 0.00 3.10 0.00 0.00 3.02 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 137 P 0.00 4.17 0.00 2.19 2.10 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.10 0.00 138 G 7.76 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Y 7.96 4.34 0.00 3.19 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 0.00 140 R 7.88 3.99 0.00 1.94 1.91 0.00 3.26 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 141 V 7.42 3.52 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 1.00 0.00 0.00 0.96 0.00 0.00 142 A 7.47 4.44 0.99 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 0.00 143 K 7.15 4.14 0.00 1.72 1.83 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.23 1.63 7.81 144 R 7.98 4.32 0.00 1.91 2.00 0.00 3.29 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.56 0.00 145 D 8.44 4.71 0.00 2.64 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 0.00 146 K 7.88 3.98 0.00 1.80 1.73 0.00 1.81 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.42 7.81 147 A 8.81 3.91 1.32 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 0.00 148 S 7.04 4.52 0.00 4.00 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 0.00 149 R 8.69 4.61 0.00 1.82 1.71 0.00 3.08 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 150 S 8.70 4.56 0.00 3.90 3.74 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 0.00 151 I 8.00 4.32 1.95 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 1.38 1.10 1.02 0.00 0.00 152 P 0.00 4.35 0.00 2.21 2.00 0.00 3.64 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 2.11 2.08 0.00 153 T 8.64 4.03 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 154 K 7.96 4.19 0.00 1.79 1.93 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.50 7.81 155 H 8.20 4.64 0.00 3.11 3.33 0.00 5.94 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.60 4.42 0.00 2.05 1.88 0.00 3.48 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.60 0.00 157 L 8.23 4.29 0.00 1.69 1.79 0.89 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 158 N 8.56 4.89 0.00 3.07 2.72 0.00 0.00 6.69 7.40 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 0.00 159 P 0.00 4.31 0.00 2.14 2.15 0.00 3.61 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.43 0.00 160 A 7.84 3.90 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 D 8.10 4.34 0.00 2.71 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 0.00 162 A 7.83 4.06 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 V 7.23 3.23 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 0.91 0.00 0.00 0.29 0.00 0.00 164 A 7.77 3.94 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 0.00 165 F 7.80 4.06 0.00 2.96 3.14 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 0.00 166 I 7.82 3.64 1.85 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.11 0.96 0.00 0.00 167 E 8.02 4.20 0.00 1.99 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 2.27 2.28 0.00 168 S 7.43 4.58 0.00 3.96 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 0.00 169 T 7.55 4.70 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 1.16 0.00 0.00 170 Y 7.76 3.30 0.00 2.97 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 0.00 171 D 6.38 4.36 0.00 2.95 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 V 7.75 4.59 2.05 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 0.89 0.00 0.00 0.90 0.00 0.00 173 E 8.12 4.71 0.00 2.01 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 2.33 2.24 0.00 174 V 8.74 3.73 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 0.94 0.00 0.00 0.88 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.