NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.9180 8.2348 114.8119 58.2794 64.5391 172.8233 3 N 4.7966 8.1223 118.0801 52.2747 41.3616 172.2465 4 T 4.5414 8.8956 117.5718 62.9506 71.0265 174.7001 5 L 4.8444 7.9722 117.6381 54.0942 44.6188 176.1893 6 F 4.7627 7.7342 118.2652 57.7330 42.5381 171.9341 7 D 4.9434 7.2743 123.6218 52.5266 44.4183 173.5709 8 D 4.3321 7.6756 122.7122 54.4973 46.1763 174.5509 9 I 5.2660 7.8104 119.7763 59.7032 41.1168 174.9603 10 F 6.0119 9.3173 122.9181 54.9068 43.9797 173.3967 11 Q 5.6738 8.4657 119.1420 53.3799 32.3608 173.7152 12 V 4.1067 8.7571 126.6169 63.6975 31.9281 176.3719 13 S 4.3138 9.3835 124.2803 59.7725 63.4455 174.2167 14 E 5.1141 7.3250 121.9248 55.8634 32.4171 175.1417 15 V 4.6257 8.5043 124.9411 61.0634 34.2794 173.9914 16 D 4.9191 9.0295 127.0896 51.5391 43.8112 173.8137 17 P 5.0915 0.0000 0.0000 61.3230 31.0403 176.4756 18 G 3.7200 7.6024 114.8511 46.2543 0.0000 171.4031 19 R 3.8100 7.7714 113.8318 57.8122 27.4781 178.1000 20 Y 5.2398 7.3157 112.7547 56.6115 38.8490 176.6253 21 N 4.2501 7.9224 118.7741 54.7786 39.1297 175.9268 22 K 4.6898 8.0246 114.5187 55.7259 34.4833 175.7841 23 V 4.8199 8.4000 119.9295 61.9669 34.8936 173.0516 24 C 5.2224 9.0448 124.2668 58.0318 32.5554 172.8235 25 R 4.9721 8.5759 121.7675 55.3064 31.7228 175.2089 26 I 5.2617 8.9377 125.2687 59.6787 42.0319 174.1419 27 E 5.6907 8.8914 121.3526 53.9768 33.7802 174.7441 28 A 5.3597 8.8128 123.5353 50.1031 23.7497 174.4853 29 A 5.1433 8.6259 120.6604 50.7162 22.3609 175.3835 30 S 4.4924 7.8574 113.5151 56.3634 64.0593 174.7688 31 T 4.4613 7.2937 122.8074 62.3139 68.1997 174.1389 32 T 4.4304 6.9997 119.1729 64.0465 76.4400 175.0361 33 Q 4.3411 8.3396 122.5186 56.0452 30.5253 175.9239 34 D 5.4081 8.4916 121.2153 55.4215 41.3553 177.3585 35 Q 4.3626 8.0081 118.0523 57.5620 31.8738 176.1820 36 C 5.4052 7.8026 120.5560 59.6517 30.4270 173.0209 37 K 4.9388 8.3308 123.7523 54.8879 34.7277 174.8343 38 L 4.9705 8.5428 122.4593 54.0279 46.1143 174.9107 39 T 5.0740 8.8454 121.5812 61.7576 72.4041 172.8380 40 L 5.0254 9.3593 128.5981 53.8542 45.8492 174.7404 41 D 5.0497 8.6867 126.1101 54.8780 42.0644 175.9541 42 I 4.3463 8.7141 119.1681 60.3133 42.8665 173.5069 43 N 4.6920 9.5674 126.1899 53.4677 38.8873 175.2604 44 V 4.3274 7.7487 131.0208 63.1943 31.8125 176.8021 45 E 4.4508 8.3405 118.0798 56.8441 32.1063 175.6053 46 L 4.3918 8.9132 116.4409 54.6137 42.1329 176.8877 47 F 4.6798 7.3089 114.5706 56.6087 41.2782 171.4391 48 P 4.2820 0.0000 0.0000 62.4490 31.9914 176.4366 49 V 3.9255 7.7579 116.7057 62.3154 33.9165 172.4395 50 A 4.7043 7.9189 129.8297 49.5361 21.3643 175.6635 51 A 3.7488 8.4908 121.6203 53.9973 18.6025 176.3246 52 Q 3.4533 8.7602 123.9009 56.3629 26.4218 172.6432 53 D 4.8512 8.0856 120.6024 52.8337 46.0982 174.9092 54 S 4.8184 8.4486 115.9213 56.4348 61.7425 173.1701 55 L 4.8934 7.9448 127.2774 54.2763 44.1061 175.7399 56 T 5.0452 8.4982 118.2494 62.0205 70.8023 173.4827 57 V 4.2812 8.5090 127.0358 62.1976 33.2421 175.1024 58 T 5.2808 8.0481 121.5335 62.7905 73.2376 173.4480 59 I 4.9521 8.5643 124.1329 60.0821 39.6930 176.3909 60 A 4.0062 9.5117 135.0000 52.7357 18.9510 178.9090 61 S 5.2300 9.2438 115.0560 55.0313 62.5438 175.6013 62 S 5.6174 7.0434 130.1327 59.2015 62.7965 178.1932 63 L 3.9547 6.6115 124.5951 55.9248 41.1438 178.6487 64 N 4.3527 7.9692 118.3241 51.8123 37.9070 175.4033 65 L 4.0873 8.4234 120.0054 55.8964 40.3999 174.9499 *76 T 4.1264 7.4163 113.2683 63.5604 69.6087 170.9876 77 R 3.8796 7.9251 126.1140 54.9697 30.5619 176.7895 78 S 4.1965 8.4111 115.8648 57.8582 63.7049 173.3538 79 W 4.7732 8.6596 130.4850 55.7967 31.5817 175.8401 80 R 4.1310 7.8387 124.6789 54.5079 31.5964 177.0433 81 P 4.1771 0.0000 0.0000 61.2305 32.1757 174.3643 82 P 4.0013 0.0000 0.0000 64.4332 29.7793 177.6417 83 Q 3.9004 9.6632 121.1070 56.8191 28.5997 176.3881 84 A 4.3087 7.6339 117.4194 52.1821 17.6715 179.3196 85 G 3.7778 8.7020 112.4249 49.5858 0.0000 174.6384 86 D 4.7466 7.8317 115.0004 53.5237 42.5982 175.4137 87 R 4.3360 7.5037 117.4002 55.3497 31.3304 175.9748 88 S 4.2433 8.2573 113.1171 59.6813 63.3295 175.3413 89 L 4.6353 7.9685 119.9637 54.0002 43.2538 177.6842 90 A 4.4860 8.0077 121.1187 51.9726 17.4302 177.8624 91 D 5.1168 10.3547 117.1571 55.0980 40.1251 178.2581 92 D 4.8638 8.2689 119.0654 55.2365 39.9185 175.1327 93 Y 4.7801 9.3703 117.3449 57.2017 41.8001 175.6088 94 D 5.0216 9.0100 122.3732 54.0961 42.7592 175.6256 95 Y 4.3275 7.3058 115.1689 57.0467 42.0106 172.6429 96 V 4.9172 8.7784 126.6973 60.8235 34.3197 174.0536 97 M 4.8424 7.8552 129.4564 55.3094 35.6625 173.7720 98 Y 5.0983 8.3940 116.2101 57.7806 40.9232 173.4288 99 G 3.7013 8.9284 120.2603 45.6326 0.0000 171.0041 100 T 4.9198 9.2389 119.6670 61.5174 73.8710 172.4718 101 A 5.1230 8.2424 124.3486 50.1081 20.2416 175.6287 102 Y 4.4233 8.9295 120.8948 57.8677 39.7882 175.3137 103 K 4.7108 7.1513 122.3688 53.1627 35.2666 174.7742 104 F 5.1589 8.3518 122.2030 55.7462 37.4845 173.8955 105 E 4.1231 8.2761 122.4215 56.9190 31.5426 176.5582 106 E 4.8431 8.3817 120.7514 53.6349 29.8888 175.9855 107 V 3.9640 8.3230 124.4932 64.4503 29.1870 175.4375 108 S 3.4113 8.7894 118.8741 58.7357 64.9997 174.9825 109 K 3.6088 7.9265 119.6226 57.9829 31.8081 177.2806 110 D 4.9465 8.5916 119.7962 53.3559 38.9970 176.9327 111 L 5.0016 8.0601 118.9233 52.7823 45.1320 177.4176 112 I 4.7466 8.2564 125.4339 59.5638 39.1014 174.6795 113 A 4.9201 8.0879 127.8341 49.2471 21.6901 175.5241 114 V 4.2919 7.7251 113.3606 59.5845 35.4485 174.2592 115 Y 4.8466 8.3308 121.5838 56.7545 40.3453 174.4023 116 Y 5.1467 9.2274 119.7101 56.3109 42.6684 174.4337 117 S 4.8608 9.5008 117.8814 56.8494 65.9363 172.8900 118 F 4.6036 9.4775 127.6416 55.9745 38.9378 175.8646 119 G 4.1019 9.2880 113.9040 46.2238 0.0000 171.1205 120 G 3.6157 6.9859 108.3980 44.8272 0.0000 174.7719 121 L 4.5935 8.1364 121.2309 53.2333 43.0841 176.8220 122 L 5.4188 9.3363 125.1966 54.2851 43.8119 175.7447 123 M 4.9173 8.1593 115.4441 55.0837 35.4784 173.1182 124 R 4.7130 9.4126 126.6221 54.3568 33.5715 173.7747 125 L 5.1735 7.8705 126.3045 53.5073 46.4931 174.4392 126 E 4.5675 7.8106 120.8470 53.8001 33.6474 173.1091 127 G 4.0621 7.7784 118.9066 45.6756 0.0000 174.2476 128 N 5.4452 7.7182 135.0000 54.1102 40.3029 173.4557 129 Y 4.7956 6.5600 113.2035 56.6586 39.7791 175.4707 130 R 4.6071 7.3717 120.5697 56.4035 30.6874 178.2637 131 N 4.3938 8.4600 117.1423 55.9813 38.8797 176.6219 132 L 4.7999 7.9558 114.9047 54.5646 42.3072 175.8888 133 N 4.8237 7.9274 113.2762 55.0995 40.7991 175.7583 134 N 4.6078 8.1193 122.9152 52.7777 37.1837 175.2710 135 L 4.3476 8.3165 123.8244 54.8689 42.3773 177.3698 136 K 4.6387 8.3096 116.1236 56.5243 32.9188 176.4865 137 Q 4.3218 7.7809 118.5271 55.1477 29.6856 176.0706 138 E 3.9701 8.7777 118.9138 59.5190 29.8491 176.4782 139 N 4.5115 8.1191 113.9571 53.0862 38.9479 174.4711 140 A 5.5240 8.1304 135.0000 53.0167 19.9830 174.7124 141 Y 4.7790 8.3285 119.7060 58.0175 39.8631 174.7568 142 L 4.9242 8.5048 124.5459 53.7264 44.6731 174.9380 143 L 4.9660 7.8132 120.7728 53.3761 46.3565 175.2390 144 I 5.0753 8.5734 121.2533 59.7529 41.5725 174.2490 145 R 4.9618 8.4779 120.5244 55.8895 33.2451 175.3226 146 R 4.3294 8.8070 118.8171 56.8813 30.5053 176.2386 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 2 S 8.23 4.92 0.00 3.99 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 3 N 8.12 4.80 0.00 2.82 2.81 0.00 0.00 7.09 6.65 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 4 T 8.90 4.54 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 1.28 0.00 0.00 5 L 7.97 4.84 0.00 1.75 1.74 1.05 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.73 4.76 0.00 3.11 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 7 D 7.27 4.94 0.00 2.56 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 7.68 4.33 0.00 2.55 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.81 5.27 1.84 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 1.28 1.10 1.03 0.00 0.00 10 F 9.32 6.01 0.00 2.93 3.07 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 11 Q 8.47 5.67 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 7.06 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 12 V 8.76 4.11 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 1.07 0.00 0.00 0.98 0.00 0.00 13 S 9.38 4.31 0.00 3.89 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 14 E 7.33 5.11 0.00 2.09 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 2.14 2.10 0.00 15 V 8.50 4.63 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 1.01 0.00 0.00 16 D 9.03 4.92 0.00 2.83 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 17 P 0.00 5.09 0.00 2.22 2.07 0.00 3.83 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 1.89 1.93 0.00 18 G 7.60 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 19 R 7.77 3.81 0.00 1.75 2.01 0.00 3.05 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 20 Y 7.32 5.24 0.00 3.00 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 21 N 7.92 4.25 0.00 2.75 2.92 0.00 0.00 7.02 7.61 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 22 K 8.02 4.69 0.00 1.63 1.74 0.00 1.67 0.00 0.00 2.05 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.40 7.81 23 V 8.40 4.82 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.90 0.00 0.00 24 C 9.04 5.22 0.00 2.95 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 25 R 8.58 4.97 0.00 2.12 1.83 0.00 3.08 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 26 I 8.94 5.26 1.88 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 1.26 0.89 0.98 0.00 0.00 27 E 8.89 5.69 0.00 1.90 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 0.00 2.22 2.10 0.00 28 A 8.81 5.36 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 29 A 8.63 5.14 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 30 S 7.86 4.49 0.00 3.60 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 31 T 7.29 4.46 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 1.17 0.00 0.00 32 T 7.00 4.43 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 1.09 0.00 0.00 33 Q 8.34 4.34 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 7.23 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 34 D 8.49 5.41 0.00 2.67 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 35 Q 8.01 4.36 0.00 1.95 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.35 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 36 C 7.80 5.41 0.00 3.02 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 37 K 8.33 4.94 0.00 1.76 1.73 0.00 1.95 0.00 0.00 1.76 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.51 1.72 7.81 38 L 8.54 4.97 0.00 1.56 1.37 0.75 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.85 5.07 4.21 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 1.24 0.00 0.00 40 L 9.36 5.03 0.00 1.58 1.34 0.98 0.83 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 41 D 8.69 5.05 0.00 2.73 2.66 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 42 I 8.71 4.35 1.95 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 0.75 0.10 1.30 0.00 0.00 43 N 9.57 4.69 0.00 2.80 2.71 0.00 0.00 6.60 8.25 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 44 V 7.75 4.33 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 0.77 0.00 0.00 1.08 0.00 0.00 45 E 8.34 4.45 0.00 1.90 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 2.16 2.29 0.00 46 L 8.91 4.39 0.00 1.40 1.57 0.81 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.31 4.68 0.00 2.78 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 48 P 0.00 4.28 0.00 1.90 1.89 0.00 3.56 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 49 V 7.76 3.93 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 0.71 0.00 0.00 0.79 0.00 0.00 50 A 7.92 4.70 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 51 A 8.49 3.75 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 52 Q 8.76 3.45 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.64 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 53 D 8.09 4.85 0.00 2.58 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.45 4.82 0.00 3.90 3.92 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 55 L 7.94 4.89 0.00 1.75 1.73 1.05 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.50 5.05 4.38 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 1.35 0.00 0.00 57 V 8.51 4.28 2.45 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 1.15 0.00 0.00 0.71 0.00 0.00 58 T 8.05 5.28 4.11 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 1.36 0.00 0.00 59 I 8.56 4.95 1.97 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.60 0.97 0.00 0.00 60 A 9.51 4.01 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 61 S 9.24 5.23 0.00 4.12 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 62 S 7.04 5.62 0.00 4.08 4.13 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 63 L 6.61 3.95 0.00 1.43 1.53 0.77 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 N 7.97 4.35 0.00 2.61 2.62 0.00 0.00 7.20 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 65 L 8.42 4.09 0.00 1.67 2.11 0.92 0.83 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 *76 T 7.42 4.13 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 1.31 0.00 0.00 77 R 7.93 3.88 0.00 2.02 1.98 0.00 3.29 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 78 S 8.41 4.20 0.00 4.08 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 79 W 8.66 4.77 0.00 3.31 3.22 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 80 R 7.84 4.13 0.00 1.55 1.57 0.00 3.18 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 81 P 0.00 4.18 0.00 1.87 1.53 0.00 3.43 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.85 0.00 82 P 0.00 4.00 0.00 2.15 1.82 0.00 3.79 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 83 Q 9.66 3.90 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.22 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 84 A 7.63 4.31 1.25 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 0.00 0.00 85 G 8.70 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 0.00 0.00 0.00 86 D 7.83 4.75 0.00 2.59 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 87 R 7.50 4.34 0.00 1.86 1.85 0.00 3.20 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 88 S 8.26 4.24 0.00 4.07 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 89 L 7.97 4.64 0.00 1.70 1.82 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.01 4.49 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 91 D 10.35 5.12 0.00 2.92 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 92 D 8.27 4.86 0.00 2.52 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 93 Y 9.37 4.78 0.00 2.80 3.15 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 94 D 9.01 5.02 0.00 2.46 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 95 Y 7.31 4.33 0.00 2.13 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 0.00 0.00 0.00 96 V 8.78 4.92 2.17 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 1.39 0.00 0.00 0.96 0.00 0.00 97 M 7.86 4.84 0.00 1.62 1.14 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.67 0.00 98 Y 8.39 5.10 0.00 2.55 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 99 G 8.93 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 0.00 0.00 0.00 100 T 9.24 4.92 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 1.08 0.00 0.00 101 A 8.24 5.12 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.93 4.42 0.00 3.05 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 K 7.15 4.71 0.00 1.77 1.48 0.00 1.63 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.51 7.81 104 F 8.35 5.16 0.00 2.83 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.28 4.12 0.00 2.41 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 106 E 8.38 4.84 0.00 1.86 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 2.22 2.31 0.00 107 V 8.32 3.96 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 0.75 0.00 0.00 0.94 0.00 0.00 108 S 8.79 3.41 0.00 4.14 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 0.00 109 K 7.93 3.61 0.00 1.85 1.22 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.41 7.81 110 D 8.59 4.95 0.00 2.75 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 0.00 111 L 8.06 5.00 0.00 1.98 1.58 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.26 4.75 1.84 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 1.30 0.94 0.90 0.00 0.00 113 A 8.09 4.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.73 4.29 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 -0.22 0.00 0.00 0.64 0.00 0.00 115 Y 8.33 4.85 0.00 1.82 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 0.00 0.00 0.00 116 Y 9.23 5.15 0.00 2.68 2.34 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 0.00 117 S 9.50 4.86 0.00 3.56 3.37 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 0.00 118 F 9.48 4.60 0.00 3.05 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 0.00 119 G 9.29 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 0.00 0.00 0.00 0.00 120 G 6.99 3.62 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 0.00 0.00 0.00 121 L 8.14 4.59 0.00 1.85 1.76 0.98 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 122 L 9.34 5.42 0.00 1.79 1.83 1.04 0.72 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 0.00 123 M 8.16 4.92 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.39 0.00 124 R 9.41 4.71 0.00 1.66 1.56 0.00 3.00 0.00 0.00 2.97 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.58 0.00 125 L 7.87 5.17 0.00 1.38 1.10 0.82 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 126 E 7.81 4.57 0.00 2.06 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 2.15 2.16 0.00 127 G 7.78 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 0.00 0.00 0.00 128 N 7.72 5.45 0.00 2.84 2.88 0.00 0.00 6.66 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 0.00 129 Y 6.56 4.80 0.00 3.12 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 0.00 130 R 7.37 4.61 0.00 1.96 2.13 0.00 2.83 0.00 0.00 3.13 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 131 N 8.46 4.39 0.00 2.77 2.93 0.00 0.00 7.00 7.85 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 0.00 132 L 7.96 4.80 0.00 1.65 1.68 0.95 0.97 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 0.00 133 N 7.93 4.82 0.00 2.81 3.10 0.00 0.00 7.13 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 0.00 134 N 8.12 4.61 0.00 2.94 2.95 0.00 0.00 7.20 7.85 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 0.00 135 L 8.32 4.35 0.00 1.75 1.73 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.31 4.64 0.00 1.51 1.34 0.00 1.50 0.00 0.00 1.21 0.00 0.00 2.63 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.32 1.18 7.81 137 Q 7.78 4.32 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.07 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 138 E 8.78 3.97 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.19 0.00 139 N 8.12 4.51 0.00 2.89 2.95 0.00 0.00 6.76 7.35 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 0.00 140 A 8.13 5.52 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 0.00 0.00 0.00 0.00 0.00 141 Y 8.33 4.78 0.00 2.84 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.50 4.92 0.00 1.76 1.17 0.89 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.81 4.97 0.00 0.69 0.13 0.86 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.57 5.08 1.53 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.32 0.80 0.00 0.00 145 R 8.48 4.96 0.00 1.82 2.01 0.00 2.79 0.00 0.00 2.62 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 146 R 8.81 4.33 0.00 2.27 2.13 0.00 3.23 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.