NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 C 4.5484 8.3293 115.6516 57.4908 30.9418 173.6418 11 P 4.3986 0.0000 0.0000 63.4535 32.5450 173.9455 12 L 5.1647 7.8698 122.2777 53.4028 45.0029 176.2580 13 M 4.9465 9.3155 125.9056 53.6608 35.9239 174.0026 14 V 4.8984 8.1610 124.4547 60.9136 34.9909 174.0150 15 K 4.9513 8.9892 128.0888 54.5550 35.5583 174.7204 16 V 4.8025 8.9631 126.8722 61.0382 34.5688 174.0514 17 L 5.0634 8.8709 127.3021 52.9185 45.6584 175.0527 18 D 5.0779 9.1444 122.8813 52.9610 41.9125 176.6484 19 A 4.2308 8.9527 128.7150 53.7365 18.5326 178.6414 20 V 3.8286 8.6135 115.5969 65.2395 31.8511 177.2539 21 R 4.2654 8.4128 116.1034 55.7536 30.9567 176.0240 22 G 3.8828 8.2023 105.4723 46.5934 0.0000 173.2196 23 S 4.9328 7.5642 112.8237 55.3936 68.1432 172.9419 24 P 4.6737 0.0000 0.0000 63.0934 31.6330 175.7688 25 A 4.0076 8.7004 124.9994 51.1868 19.3792 176.4211 26 I 4.1683 8.1825 122.9702 60.9480 39.1097 175.3242 27 N 4.1394 8.4512 121.9906 54.5755 37.9862 173.9752 28 V 4.0423 7.7974 116.6084 61.7159 33.0537 174.7973 29 A 4.6046 8.5224 130.4513 51.7719 19.8665 176.2018 30 V 4.8357 9.1028 122.5373 61.2977 34.7631 173.9042 31 H 5.1355 9.2618 124.7561 53.8756 31.8879 172.8739 32 V 4.8755 8.8796 123.6149 61.1536 34.2134 174.3528 33 F 5.5550 9.3399 125.0146 55.7470 43.5650 173.7147 34 R 4.8109 9.7171 121.1427 54.3346 33.1964 174.2495 35 K 4.1210 8.6273 127.7876 55.8208 32.6011 176.2961 36 A 4.5314 8.3679 129.5518 50.1498 20.8598 176.6031 37 A 3.8147 8.2674 125.0004 54.4848 18.8625 178.4818 *38 D 4.7186 9.2519 125.3995 58.0331 37.7752 173.7574 *39 D 4.1731 7.0017 118.1807 54.8515 37.3381 177.6369 40 T 4.5715 7.1894 117.9932 59.8724 71.3637 176.5075 41 W 4.8102 8.6472 126.3963 55.8928 29.7342 175.3608 42 E 4.7720 9.6250 124.7130 54.0568 31.1270 174.0146 43 P 4.5866 0.0000 0.0000 63.7694 31.5720 175.1348 44 F 4.8906 8.9310 123.8652 59.5914 41.6878 174.5342 45 A 4.5434 7.6843 117.3496 51.4338 22.3421 174.8239 46 S 4.6712 7.6098 112.3870 57.7875 66.0661 173.9363 47 G 3.9490 7.7272 106.1943 46.3569 0.0000 171.9222 48 K 5.3268 8.5057 118.3022 54.2288 35.4616 176.9433 49 T 4.2059 8.6704 114.4786 61.9762 70.2894 174.8248 50 S 4.6923 8.8248 119.0338 56.9577 65.2246 174.0208 51 E 3.9517 8.8623 120.3055 59.7172 29.0430 178.0218 52 S 4.2784 7.6948 109.4363 58.4063 63.5394 174.9559 53 G 3.8541 8.6617 110.4924 45.1534 0.0000 172.6951 54 E 5.0230 7.5027 117.8757 54.2326 32.7978 175.0456 55 L 4.8551 8.6304 124.0089 53.9380 44.5930 175.2500 56 H 4.6747 8.8155 123.0883 54.6424 31.4665 175.0257 57 G 3.8790 8.7306 105.9487 46.4521 0.0000 174.9546 58 L 3.9443 7.9063 121.4427 57.4989 41.6577 176.6373 59 T 4.4081 7.2587 109.7809 61.2663 70.5201 171.6346 60 T 4.7382 8.0096 111.9123 59.1234 71.5053 174.5592 61 E 4.1138 8.8926 122.9670 59.5478 29.9504 178.1035 62 E 4.2067 8.4083 117.1801 59.4662 29.6099 177.9724 63 E 4.3608 7.8907 116.3953 58.2278 30.2857 177.3809 64 F 4.9997 8.2708 122.8748 57.1664 37.6182 174.6147 65 V 4.0522 7.4766 117.7440 59.3755 33.3919 175.5044 66 E 4.6083 8.0372 121.4022 56.0106 29.8965 176.4614 67 G 3.7326 7.9355 111.4729 46.6842 0.0000 170.4752 68 I 4.8293 7.1594 120.0085 59.8554 39.0378 175.0468 69 Y 5.1984 8.9586 124.3585 55.9057 41.8432 174.5193 70 K 4.7317 8.8613 122.3418 54.5711 35.6056 174.8292 71 V 4.8071 9.0331 127.7208 61.3305 33.7410 173.8365 72 E 5.0501 9.5197 128.0763 54.6812 32.1068 175.0310 73 I 4.5820 8.0677 125.5439 59.9205 38.7647 175.2226 74 D 5.0084 9.3351 129.5515 53.3188 42.1562 177.3999 75 T 4.6274 8.6757 114.2798 61.5556 69.5998 176.0117 76 K 3.6945 8.2529 123.8535 60.0709 32.2745 178.3836 77 S 3.9417 7.9373 113.7210 61.2300 62.8662 175.4927 78 Y 4.2168 8.0369 122.9463 60.4639 38.6949 178.0498 79 W 4.0006 8.1785 119.6040 59.5351 28.5448 179.1876 *80 K 3.9711 6.9703 124.4433 59.4128 30.9138 182.4240 81 A 4.1683 7.3639 120.6823 55.0944 18.4720 179.6500 82 L 4.0995 7.3288 115.9412 55.9387 41.6435 178.5859 83 G 3.9280 7.4962 105.3585 45.2211 0.0000 173.1883 84 I 4.1855 7.3227 112.2687 59.1711 39.0443 176.2094 85 S 4.0349 8.0994 120.2414 58.8501 63.8852 174.1295 *86 P 4.9341 0.0000 0.0000 62.3419 32.2971 171.0654 87 F 4.1041 6.4053 118.3164 58.4321 35.4777 176.5356 88 H 4.2240 8.6418 122.1914 57.6420 29.3058 175.5146 89 E 4.4714 7.9218 119.3049 54.8369 29.6588 174.6615 90 H 4.4812 8.7014 124.2799 54.9414 31.1050 174.0970 91 A 3.6967 7.7616 128.4531 50.8825 20.1984 175.7432 92 E 4.7802 8.5708 120.8036 54.6053 33.2595 175.2053 93 V 4.4111 9.0402 125.8176 61.2486 33.7583 174.2178 94 V 5.0786 8.4789 128.3109 61.1559 33.5669 174.5266 95 F 5.0961 8.6915 121.2061 56.1425 41.5061 173.2677 96 T 4.8261 8.7238 117.1189 63.2470 69.4945 174.0113 97 A 4.5690 8.7928 126.8987 50.6458 22.6901 175.9542 98 N 4.5842 9.4432 115.6405 53.9068 36.6718 175.9000 99 D 4.5651 8.2358 117.1527 55.7508 41.5961 176.7124 100 S 4.6394 8.2325 113.5188 58.7890 63.9892 174.1515 101 G 4.0348 8.2053 106.9112 43.8807 0.0000 171.8454 102 P 4.9456 0.0000 0.0000 62.4157 31.7313 175.7571 103 R 4.7217 8.7225 121.6325 55.1179 34.8068 174.9293 104 R 4.7148 8.5044 120.8112 55.9513 31.2717 174.7416 105 Y 4.9637 9.3416 122.4790 55.4999 40.9389 174.8149 106 T 4.9833 8.9968 121.3080 61.8219 71.5371 173.1798 107 I 4.7105 8.8615 128.0318 59.6298 39.4365 174.4430 108 A 5.2186 8.9314 129.5264 50.0166 21.7924 175.0469 109 A 5.1823 9.0064 122.7520 49.9398 22.7459 174.7268 110 L 4.9296 9.2925 124.6782 53.3049 44.6501 174.9092 111 L 4.9513 8.8274 127.2299 53.2206 43.6017 176.0202 112 S 5.1842 8.9188 118.6157 56.0311 67.2463 173.3728 113 P 4.3347 0.0000 0.0000 65.7879 31.1241 177.9472 114 Y 4.8692 8.0106 111.6605 57.2828 38.8088 174.9009 115 S 4.7654 8.0003 113.6434 57.4532 65.7184 172.3056 116 Y 5.3957 8.0318 121.2483 55.7634 41.1051 174.1038 117 S 4.7391 9.0094 115.9214 57.1157 66.8447 173.0964 118 T 5.3138 8.3266 116.0415 60.7851 70.5885 172.8961 119 T 4.8377 8.8841 116.2649 59.8266 72.6672 172.2427 120 A 5.0949 8.6021 124.5153 50.1706 21.5951 175.5060 121 V 4.2957 8.6563 122.7055 60.9339 34.1071 174.4306 122 V 4.6067 8.3769 127.3035 61.3931 33.6134 174.5171 123 T 4.5711 8.4354 123.7770 62.6632 72.7042 174.2497 124 N 4.6328 8.6679 119.3714 53.8543 38.1573 174.5538 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 C 8.33 4.55 0.00 3.23 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 11 P 0.00 4.40 0.00 2.61 2.65 0.00 3.75 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 2.00 2.25 0.00 12 L 7.87 5.16 0.00 0.88 1.13 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 13 M 9.32 4.95 0.00 2.00 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 2.42 2.56 0.00 14 V 8.16 4.90 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 0.97 0.00 0.00 0.90 0.00 0.00 15 K 8.99 4.95 0.00 1.77 1.54 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.29 7.81 16 V 8.96 4.80 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 0.80 0.00 0.00 0.82 0.00 0.00 17 L 8.87 5.06 0.00 1.54 1.48 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 18 D 9.14 5.08 0.00 2.86 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 19 A 8.95 4.23 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 20 V 8.61 3.83 2.37 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 0.85 0.00 0.00 1.08 0.00 0.00 21 R 8.41 4.27 0.00 1.95 2.04 0.00 3.45 0.00 0.00 3.58 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 22 G 8.20 3.88 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 0.00 0.00 0.00 23 S 7.56 4.93 0.00 3.82 3.76 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 24 P 0.00 4.67 0.00 2.15 2.15 0.00 3.78 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 2.00 1.98 0.00 25 A 8.70 4.01 0.60 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 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.18 4.17 1.97 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 1.43 0.79 0.94 0.00 0.00 27 N 8.45 4.14 0.00 2.89 2.95 0.00 0.00 7.11 7.87 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 28 V 7.80 4.04 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 0.94 0.00 0.00 0.61 0.00 0.00 29 A 8.52 4.60 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 30 V 9.10 4.84 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 0.94 0.00 0.00 0.87 0.00 0.00 31 H 9.26 5.14 0.00 3.08 2.75 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.88 4.88 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 1.19 0.00 0.00 0.94 0.00 0.00 33 F 9.34 5.56 0.00 2.86 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 34 R 9.72 4.81 0.00 1.46 1.72 0.00 2.60 0.00 0.00 2.99 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.83 0.00 35 K 8.63 4.12 0.00 1.03 1.24 0.00 0.99 0.00 0.00 1.27 0.00 0.00 2.55 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.84 0.21 7.81 36 A 8.37 4.53 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 37 A 8.27 3.81 1.19 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 0.00 0.00 *38 D 9.25 4.72 0.00 2.66 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 *39 D 7.00 4.17 0.00 2.77 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 40 T 7.19 4.57 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 41 W 8.65 4.81 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.63 4.77 0.00 2.09 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 0.00 2.49 2.44 0.00 43 P 0.00 4.59 0.00 2.04 2.10 0.00 3.78 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.39 0.00 44 F 8.93 4.89 0.00 3.09 3.27 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 45 A 7.68 4.54 1.04 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 0.00 0.00 46 S 7.61 4.67 0.00 3.61 3.53 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 47 G 7.73 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 0.00 0.00 0.00 48 K 8.51 5.33 0.00 1.57 1.66 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.36 7.81 49 T 8.67 4.21 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 1.19 0.00 0.00 50 S 8.82 4.69 0.00 3.97 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 0.00 51 E 8.86 3.95 0.00 1.93 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 0.00 2.31 2.40 0.00 52 S 7.69 4.28 0.00 4.06 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 53 G 8.66 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 54 E 7.50 5.02 0.00 1.95 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 2.17 2.36 0.00 55 L 8.63 4.86 0.00 1.62 1.40 0.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.82 4.67 0.00 3.04 3.16 0.00 5.84 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.73 3.88 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 0.00 0.00 0.00 58 L 7.91 3.94 0.00 1.53 1.64 0.85 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.26 4.41 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 0.92 0.00 0.00 60 T 8.01 4.74 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 1.21 0.00 0.00 61 E 8.89 4.11 0.00 2.02 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 2.36 2.48 0.00 62 E 8.41 4.21 0.00 2.04 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 2.35 2.44 0.00 63 E 7.89 4.36 0.00 2.07 2.20 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 2.37 2.40 0.00 64 F 8.27 5.00 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 65 V 7.48 4.05 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 0.86 0.00 0.00 0.98 0.00 0.00 66 E 8.04 4.61 0.00 1.95 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 2.48 2.21 0.00 67 G 7.94 3.73 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 0.00 0.00 0.00 68 I 7.16 4.83 1.67 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 1.30 0.67 1.01 0.00 0.00 69 Y 8.96 5.20 0.00 1.84 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 70 K 8.86 4.73 0.00 0.79 0.85 0.00 0.98 0.00 0.00 1.43 0.00 0.00 2.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.10 0.91 7.81 71 V 9.03 4.81 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.16 0.00 0.00 72 E 9.52 5.05 0.00 2.06 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 2.23 2.44 0.00 73 I 8.07 4.58 1.67 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 1.09 0.69 0.80 0.00 0.00 74 D 9.34 5.01 0.00 2.71 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 75 T 8.68 4.63 4.84 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 1.25 0.00 0.00 76 K 8.25 3.69 0.00 1.93 1.82 0.00 1.78 0.00 0.00 1.84 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.19 1.31 7.81 77 S 7.94 3.94 0.00 4.04 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 78 Y 8.04 4.22 0.00 3.09 3.38 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 79 W 8.18 4.00 0.00 3.47 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 *80 K 6.97 3.97 0.00 1.81 1.86 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.33 7.81 81 A 7.36 4.17 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 82 L 7.33 4.10 0.00 1.49 1.62 0.93 1.27 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 83 G 7.50 3.93 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 0.00 0.00 0.00 84 I 7.32 4.19 1.72 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.50 0.86 0.00 0.00 85 S 8.10 4.03 0.00 3.66 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 *86 P 0.00 4.93 0.00 2.04 1.79 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.57 0.00 87 F 6.41 4.10 0.00 3.12 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 88 H 8.64 4.22 0.00 2.63 3.19 0.00 5.64 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 7.92 4.47 0.00 2.10 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 2.28 2.40 0.00 90 H 8.70 4.48 0.00 3.09 3.22 0.00 5.91 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 91 A 7.76 3.70 0.22 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 92 E 8.57 4.78 0.00 1.80 1.76 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 2.10 2.24 0.00 93 V 9.04 4.41 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.01 0.00 0.00 94 V 8.48 5.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.91 0.00 0.00 95 F 8.69 5.10 0.00 3.15 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 96 T 8.72 4.83 4.32 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 1.26 0.00 0.00 97 A 8.79 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 N 9.44 4.58 0.00 2.80 2.87 0.00 0.00 6.55 8.11 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 99 D 8.24 4.57 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 0.00 100 S 8.23 4.64 0.00 3.89 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 0.00 101 G 8.21 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 0.00 102 P 0.00 4.95 0.00 2.25 2.32 0.00 3.34 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 103 R 8.72 4.72 0.00 1.07 1.45 0.00 3.34 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.45 0.00 104 R 8.50 4.71 0.00 1.49 1.81 0.00 3.22 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 105 Y 9.34 4.96 0.00 2.98 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 T 9.00 4.98 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 1.18 0.00 0.00 107 I 8.86 4.71 1.83 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.83 0.87 0.00 0.00 108 A 8.93 5.22 1.19 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 0.00 0.00 109 A 9.01 5.18 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 0.00 110 L 9.29 4.93 0.00 1.69 1.53 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.83 4.95 0.00 0.95 0.58 0.46 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.92 5.18 0.00 3.93 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 0.00 113 P 0.00 4.33 0.00 2.37 2.16 0.00 3.69 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.11 0.00 114 Y 8.01 4.87 0.00 2.95 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 0.00 115 S 8.00 4.77 0.00 3.88 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 0.00 116 Y 8.03 5.40 0.00 3.02 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 0.00 117 S 9.01 4.74 0.00 3.77 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 0.00 118 T 8.33 5.31 4.51 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 1.31 0.00 0.00 119 T 8.88 4.84 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 1.20 0.00 0.00 120 A 8.60 5.09 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 0.00 121 V 8.66 4.30 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 0.97 0.00 0.00 0.91 0.00 0.00 122 V 8.38 4.61 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.92 0.00 0.00 123 T 8.44 4.57 4.17 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 1.17 0.00 0.00 124 N 8.67 4.63 0.00 2.84 2.88 0.00 0.00 6.80 7.56 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 * Residues marked with a * may have inaccurate shift predictions.