NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3511 8.3149 120.1412 55.4077 33.8073 175.5228 2 P 4.2409 0.0000 0.0000 61.8418 32.0734 175.9822 3 A 4.3122 8.4666 123.3166 54.4449 19.0995 179.7675 4 S 4.2411 8.0974 111.9258 61.6897 62.9201 176.1705 5 M 4.0422 7.7175 121.5717 57.6115 31.6007 176.5956 6 Y 4.8578 8.2989 113.7678 57.3112 40.7386 177.1187 7 R 4.2804 8.0050 117.8308 57.9681 30.0172 176.4063 8 D 4.9547 7.2114 114.9647 53.5163 42.1460 177.0345 9 I 4.2850 7.9524 123.8286 59.9631 35.6013 175.2613 10 D 5.0186 7.9628 120.2162 52.2951 40.1164 176.8759 11 K 4.6476 7.6766 116.5811 54.7192 36.1560 174.2353 12 P 4.3835 0.0000 0.0000 62.3344 31.8610 176.2403 13 A 4.3218 8.4618 123.4374 52.6187 18.8676 177.5705 14 Y 4.9131 10.3425 126.1619 55.5059 38.5497 175.2795 15 T 4.4359 7.8759 110.3285 60.3187 70.8569 175.4134 16 R 4.0628 7.7301 121.5074 56.2571 28.9871 177.0465 17 R 3.8981 8.4456 123.8870 58.8374 30.3131 179.1516 18 E 3.8587 7.9172 114.2565 58.1792 29.6259 176.7808 19 Y 4.7986 7.6780 114.9221 57.4058 39.3516 175.1966 20 I 4.6552 7.5361 121.1869 59.5267 40.2469 174.7567 21 T 4.5972 8.1639 113.7406 60.5641 71.6897 173.3794 22 G 3.8783 8.7719 107.1840 46.4200 0.0000 173.7330 23 I 3.8530 7.7358 120.6554 59.9389 37.3557 174.5626 24 P 4.3550 0.0000 0.0000 62.3573 31.8084 176.6085 25 G 3.7835 8.2729 109.7639 45.2222 0.0000 173.4020 26 S 4.2077 8.2772 114.6802 57.9346 63.0044 174.1844 27 K 4.3528 8.7850 124.1632 56.3684 32.3252 176.6953 28 I 4.2165 7.5535 121.2385 60.5150 36.9326 175.8721 29 A 4.2161 9.7066 130.8054 54.8777 18.5342 177.5683 30 Q 4.7122 7.6573 111.5995 55.2332 32.8797 173.8310 31 H 4.6921 8.9164 116.5321 55.6359 31.5667 174.0774 32 K 4.9125 8.1859 117.1010 54.8550 34.6754 175.3165 33 M 4.6717 9.2248 124.4373 54.0014 36.0925 176.1693 34 G 3.3000 8.6940 105.9255 46.2455 0.0000 176.1074 35 R 4.2224 8.1044 117.2689 54.8102 28.6576 176.7485 36 K 4.3636 8.2044 117.5016 57.5273 32.8491 178.4605 37 Q 4.2632 7.8351 118.5788 56.8743 29.5844 175.7654 38 K 4.3840 7.4484 118.0182 55.0790 33.0320 175.8783 39 D 4.6142 8.5404 123.5418 53.6318 41.6553 177.7150 40 A 3.6380 8.1791 123.3196 54.8769 18.5635 179.8180 41 D 4.4521 7.9217 114.5189 57.1956 41.0268 176.9338 42 D 4.6477 7.7425 116.1842 54.6572 40.5182 175.4588 43 Y 4.8117 7.5337 116.7633 55.6536 40.8826 174.2078 44 P 4.5840 0.0000 0.0000 64.3276 32.5348 176.6170 45 V 5.3159 7.9629 119.3190 60.1836 34.7325 174.4559 46 Q 4.5137 8.5807 127.2743 54.5950 32.0982 173.3333 47 I 5.0355 8.4393 127.7749 59.6074 40.3453 175.0759 48 S 5.1640 9.5955 122.8394 56.5714 66.7232 172.8656 49 L 4.7046 8.0692 125.6571 54.0642 43.2368 175.0897 50 I 4.9639 8.7402 128.0426 59.4902 39.6618 175.3974 51 V 4.1140 8.4750 127.0734 63.0606 32.2840 176.1342 52 E 4.4657 8.9207 125.6310 56.5726 30.3661 176.0351 53 E 4.7171 7.8520 118.0203 54.2833 33.5167 175.3855 54 T 4.2644 8.4014 119.1393 64.1658 69.3054 173.9846 55 V 4.5174 8.4756 117.7932 61.2004 36.9104 171.5917 56 Q 5.1050 8.9558 120.1353 54.3162 31.8669 175.1609 57 L 4.9392 8.8042 123.6784 52.7316 44.5473 176.6612 58 R 4.4944 8.6115 123.6094 55.8731 31.0271 177.3886 59 H 4.2073 9.0283 118.0323 59.0240 28.1879 178.1644 60 G 3.4861 7.7653 107.8567 47.7901 0.0000 175.6868 61 S 4.2386 8.3394 117.7679 61.0132 62.9372 176.6731 62 L 3.9974 7.8189 121.3072 57.7449 41.3985 178.9137 63 E 3.8940 8.3158 118.9428 59.2956 29.5328 178.6914 64 A 4.0110 7.8545 120.4939 55.0497 18.2970 179.8440 65 S 3.9825 8.3865 112.9610 61.5882 63.3234 176.3536 66 R 3.6530 8.5891 123.4470 58.7972 29.7347 177.7794 67 L 3.9211 8.2591 120.4399 58.3594 41.9436 178.9216 68 S 4.2244 8.1080 110.9216 59.8357 63.1247 174.8290 69 A 4.4158 7.3736 124.2873 54.3350 19.7298 178.3768 70 N 4.1467 8.4376 115.5272 56.7578 38.9060 176.8286 71 R 3.8397 8.1995 120.2886 59.7343 30.0404 177.9669 72 H 4.0255 7.9503 117.2041 59.3827 30.0308 176.9854 73 L 3.6126 7.7169 120.6337 57.6914 41.1448 179.7801 74 I 3.9991 7.7976 119.9949 64.2078 36.9604 178.3265 75 K 3.8865 8.0722 119.2756 58.7006 32.0436 177.7749 76 E 4.3068 8.0174 117.1605 56.2582 30.2277 176.3976 77 L 4.5628 8.0251 116.5395 53.5973 43.6902 177.4911 78 G 4.1093 8.4251 104.2823 45.4377 0.0000 174.5237 79 E 4.2202 8.5065 117.8210 58.1912 29.4196 178.1212 80 E 4.6181 7.9463 115.8243 56.1350 31.9964 175.2414 81 G 4.2250 7.8388 107.8599 45.2547 0.0000 174.3004 82 D 4.6920 8.4553 121.1965 52.3150 39.7171 174.2195 83 Y 5.1431 7.1919 121.0591 55.8182 42.3048 174.2501 84 K 4.9059 8.7512 117.8019 56.0809 36.2762 174.4832 85 M 5.4283 8.9829 123.0616 54.1278 36.1421 174.1287 86 T 5.1779 9.3276 120.7557 61.8362 72.8383 172.8293 87 L 4.1802 8.9376 129.5348 53.5649 41.9957 176.1243 88 R 4.3894 8.4381 122.7560 56.6651 30.0811 176.6442 89 K 4.7701 7.6157 118.9092 54.7486 34.6035 175.3138 90 F 4.7001 8.5214 119.7445 54.8521 41.8860 174.4176 91 P 5.0154 0.0000 0.0000 62.7503 29.4956 175.2938 92 H 4.4925 8.4431 123.4146 58.4682 29.6978 176.3163 93 Q 4.1447 8.0216 121.5254 56.3063 29.8076 175.5040 94 V 4.5204 8.8851 127.6162 62.2202 32.8729 174.9464 95 L 4.9138 9.0612 127.2864 53.2044 44.4097 175.8565 96 R 5.1069 8.4062 120.5953 54.8226 33.9460 174.6601 97 E 4.4795 8.4648 118.3855 55.7810 33.4656 174.4321 98 N 5.0600 8.8308 127.1872 52.3342 37.6628 174.1549 99 K 4.1181 7.6856 122.8741 54.3941 31.7518 174.7408 *111 D 4.4218 7.9474 121.9003 55.0748 43.0321 174.7833 112 G 4.0799 8.1413 114.7423 46.4293 0.0000 173.2499 113 M 4.3288 8.8735 124.3333 54.9493 32.0115 175.8163 114 R 3.8948 7.8500 120.0820 57.3792 31.1659 176.0037 115 A 3.7860 8.6974 127.4976 53.2824 16.0507 177.3624 116 A 4.2144 7.9280 123.1020 54.3257 19.2386 178.1904 117 F 3.8190 8.4713 117.3444 58.3322 39.4205 175.3356 118 G 3.8357 7.8401 115.1113 45.9964 0.0000 172.7258 119 K 4.6254 8.4856 120.4199 55.6372 34.8093 176.2342 120 I 4.4313 8.3598 122.9439 61.9963 37.0464 176.2249 121 V 4.3324 8.8654 118.8902 60.8504 34.2032 175.5285 122 G 4.1101 7.2797 104.9488 46.5858 0.0000 172.0765 123 T 5.3432 7.8336 107.8420 60.4298 72.8213 172.6141 124 A 5.1236 9.1470 123.1691 50.8361 23.5386 174.6366 125 A 4.9911 8.9724 121.2665 50.1874 21.7583 176.1434 126 R 4.6560 8.6170 121.5241 55.4995 31.4356 176.1080 127 V 4.4928 8.9962 124.2335 61.0608 34.4605 174.8792 128 Q 4.4101 9.3189 127.6167 54.9046 29.4957 175.6310 129 A 4.2271 7.9391 124.5690 54.2241 18.7768 178.1545 130 G 3.9876 9.3950 111.4408 45.0799 0.0000 173.8312 131 E 4.3474 7.8575 118.9601 56.0721 31.3394 175.6430 132 Q 4.7742 8.3653 120.4350 55.1088 29.5924 175.5491 133 L 4.0199 8.8252 127.1621 57.3121 43.2868 176.3200 134 F 5.6821 7.6476 115.2159 55.2868 43.4606 174.2516 135 T 5.1286 8.4201 115.1498 62.6824 72.9369 172.9279 136 A 5.2239 9.6722 128.5531 50.3477 23.1479 174.6873 137 Y 5.1215 8.7999 116.3551 56.6208 41.9367 174.6896 138 C 5.3049 8.8927 118.5553 57.0111 34.0633 172.6460 139 N 5.0230 8.8353 115.2121 52.1004 39.5296 176.8983 140 V 3.5798 8.7425 120.8614 66.3507 31.5004 177.6402 141 E 4.0777 8.3040 118.8159 59.7754 29.5280 178.0473 142 D 4.7710 8.0197 116.5937 54.6449 40.2467 178.2237 143 A 3.9525 7.6590 124.6144 55.3355 18.3571 180.2523 144 E 4.0295 7.9587 116.2623 59.2843 29.8706 178.8056 145 H 4.2988 7.8505 116.3378 58.5243 28.7747 177.8808 146 V 3.3130 7.4189 121.2518 64.3404 31.4660 178.6911 147 K 3.8276 7.4759 117.9634 59.0372 31.9273 178.9007 148 E 3.8538 8.0424 119.4156 58.9167 29.4225 178.6206 149 A 3.8569 7.5512 120.5852 55.0849 18.3808 179.6491 150 F 4.3876 8.0686 116.3844 60.5107 38.7613 177.9361 151 R 2.9357 7.4788 117.4792 59.1300 29.9412 178.4726 152 R 3.8829 7.6776 116.9266 58.2793 30.0630 178.8672 153 A 3.8797 7.3660 121.0920 54.9711 18.3574 178.6455 154 Y 4.4025 7.7841 112.5011 58.3216 38.1795 176.1467 155 N 4.7863 7.4741 117.3581 54.5026 39.0653 175.7866 156 K 4.6859 7.9321 117.5066 55.5490 32.7899 175.7382 157 I 4.7176 7.5615 110.7212 59.2125 40.4256 174.8151 158 T 3.9243 8.7246 120.4654 66.5778 68.4352 172.9066 159 P 4.5672 0.0000 0.0000 62.0792 32.7514 175.6668 160 S 4.4449 8.1552 114.3211 58.6703 64.2171 173.2067 161 C 5.2394 7.9168 117.7866 58.5146 32.6048 173.4425 162 R 4.5615 8.9360 120.4398 54.6881 32.2582 175.5709 163 I 4.6442 8.4602 124.7525 60.2210 38.1050 174.8082 164 K 4.5148 9.1702 130.0559 54.4727 34.4803 175.1807 165 V 3.8035 8.4187 127.9273 62.8128 31.3007 174.2567 166 E 4.0010 9.8187 132.8023 57.9828 29.0865 176.9772 167 R 4.2254 8.4155 127.4724 56.4218 31.5542 176.4617 168 G 4.7116 7.6777 116.4568 45.7945 0.0000 170.6809 169 E 4.6927 8.6190 126.8004 55.8594 31.1882 177.1777 170 E 4.4144 8.1650 117.0379 55.4291 28.7705 176.4610 171 L 4.3002 7.2878 124.1124 55.3033 42.5008 175.4586 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 K 8.31 4.35 0.00 1.88 1.95 0.00 2.13 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.52 7.81 2 P 0.00 4.24 0.00 2.26 1.97 0.00 3.61 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 3 A 8.47 4.31 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 4 S 8.10 4.24 0.00 4.01 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 5 M 7.72 4.04 0.00 1.20 2.21 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.38 0.00 6 Y 8.30 4.86 0.00 2.94 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 7 R 8.00 4.28 0.00 2.02 2.30 0.00 3.13 0.00 0.00 3.42 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.62 0.00 8 D 7.21 4.95 0.00 2.95 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 9 I 7.95 4.28 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.54 0.93 0.00 0.00 10 D 7.96 5.02 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 11 K 7.68 4.65 0.00 1.73 1.68 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.45 7.81 12 P 0.00 4.38 0.00 2.10 2.04 0.00 3.68 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 2.05 2.11 0.00 13 A 8.46 4.32 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 14 Y 10.34 4.91 0.00 2.82 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 15 T 7.88 4.44 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 1.28 0.00 0.00 16 R 7.73 4.06 0.00 2.05 2.16 0.00 3.32 0.00 0.00 3.39 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.75 0.00 17 R 8.45 3.90 0.00 1.76 1.92 0.00 3.25 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.53 0.00 18 E 7.92 3.86 0.00 1.42 1.78 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 1.86 1.47 0.00 19 Y 7.68 4.80 0.00 2.95 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 20 I 7.54 4.66 1.79 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.53 0.85 0.00 0.00 21 T 8.16 4.60 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 22 G 8.77 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 I 7.74 3.85 1.85 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 1.40 0.56 0.89 0.00 0.00 24 P 0.00 4.35 0.00 2.02 2.00 0.00 3.66 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 25 G 8.27 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 26 S 8.28 4.21 0.00 3.82 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 27 K 8.78 4.35 0.00 1.78 1.82 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.52 7.81 28 I 7.55 4.22 1.87 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 1.18 0.48 0.70 0.00 0.00 29 A 9.71 4.22 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 Q 7.66 4.71 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 31 H 8.92 4.69 0.00 3.14 3.29 0.00 5.75 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.19 4.91 0.00 1.65 1.76 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.53 7.81 33 M 9.22 4.67 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 34 G 8.69 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.10 4.22 0.00 1.86 1.88 0.00 3.14 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 36 K 8.20 4.36 0.00 1.88 1.93 0.00 1.58 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.46 7.81 37 Q 7.84 4.26 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.95 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 38 K 7.45 4.38 0.00 1.74 1.93 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.45 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.54 1.43 7.81 39 D 8.54 4.61 0.00 2.92 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 40 A 8.18 3.64 0.29 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 41 D 7.92 4.45 0.00 2.68 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 42 D 7.74 4.65 0.00 2.68 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 43 Y 7.53 4.81 0.00 3.13 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 44 P 0.00 4.58 0.00 2.01 2.15 0.00 3.97 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 45 V 7.96 5.32 2.32 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 1.08 0.00 0.00 0.98 0.00 0.00 46 Q 8.58 4.51 0.00 2.26 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.63 0.00 0.00 0.00 0.00 0.00 2.18 1.87 0.00 47 I 8.44 5.04 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.87 1.09 0.00 0.00 48 S 9.60 5.16 0.00 3.70 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 49 L 8.07 4.70 0.00 0.62 1.16 1.03 1.04 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 50 I 8.74 4.96 1.86 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 1.10 0.55 0.99 0.00 0.00 51 V 8.47 4.11 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 0.95 0.00 0.00 0.91 0.00 0.00 52 E 8.92 4.47 0.00 1.95 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 2.23 2.31 0.00 53 E 7.85 4.72 0.00 1.88 1.78 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 2.18 2.28 0.00 54 T 8.40 4.26 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 1.27 0.00 0.00 55 V 8.48 4.52 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 0.64 0.00 0.00 0.98 0.00 0.00 56 Q 8.96 5.10 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 57 L 8.80 4.94 0.00 1.51 1.54 0.89 0.79 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 58 R 8.61 4.49 0.00 1.83 1.78 0.00 2.84 0.00 0.00 3.11 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 59 H 9.03 4.21 0.00 3.35 3.53 0.00 5.27 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 60 G 7.77 3.49 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 0.00 0.00 0.00 61 S 8.34 4.24 0.00 4.01 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 L 7.82 4.00 0.00 1.76 1.65 0.80 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.32 3.89 0.00 2.14 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 2.39 2.37 0.00 64 A 7.85 4.01 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 65 S 8.39 3.98 0.00 4.21 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 0.00 66 R 8.59 3.65 0.00 2.22 2.08 0.00 3.28 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.97 0.00 67 L 8.26 3.92 0.00 2.08 1.83 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.11 4.22 0.00 4.01 4.14 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 69 A 7.37 4.42 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 70 N 8.44 4.15 0.00 2.77 2.85 0.00 0.00 6.95 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 71 R 8.20 3.84 0.00 2.01 1.92 0.00 3.13 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 72 H 7.95 4.03 0.00 3.19 3.32 0.00 5.93 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.72 3.61 0.00 1.51 0.64 0.39 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 74 I 7.80 4.00 2.04 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 1.55 0.97 0.94 0.00 0.00 75 K 8.07 3.89 0.00 1.69 1.87 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.43 7.81 76 E 8.02 4.31 0.00 1.61 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.06 0.00 77 L 8.03 4.56 0.00 1.88 1.75 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.43 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 0.00 0.00 0.00 0.00 79 E 8.51 4.22 0.00 1.98 2.04 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 2.33 2.35 0.00 80 E 7.95 4.62 0.00 1.89 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 2.20 2.30 0.00 81 G 7.84 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 0.00 0.00 0.00 0.00 82 D 8.46 4.69 0.00 2.68 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 83 Y 7.19 5.14 0.00 3.06 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.75 4.91 0.00 1.93 1.82 0.00 1.32 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.81 1.34 7.81 85 M 8.98 5.43 0.00 2.28 2.04 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.71 0.00 86 T 9.33 5.18 4.41 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 1.39 0.00 0.00 87 L 8.94 4.18 0.00 1.59 1.40 0.06 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.44 4.39 0.00 1.93 2.07 0.00 3.10 0.00 0.00 3.32 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.65 0.00 89 K 7.62 4.77 0.00 1.58 1.71 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.25 1.29 7.81 90 F 8.52 4.70 0.00 2.74 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 91 P 0.00 5.02 0.00 2.20 2.10 0.00 3.43 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 92 H 8.44 4.49 0.00 3.21 3.38 0.00 5.71 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 8.02 4.14 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.02 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 94 V 8.89 4.52 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 0.94 0.00 0.00 0.90 0.00 0.00 95 L 9.06 4.91 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.83 5.34 4.37 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 1.15 0.00 0.00 124 A 9.15 5.12 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 0.00 125 A 8.97 4.99 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 0.00 126 R 8.62 4.66 0.00 1.74 1.91 0.00 3.19 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 127 V 9.00 4.49 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.89 0.00 0.00 128 Q 9.32 4.41 0.00 2.22 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 129 A 7.94 4.23 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 0.00 130 G 9.39 3.99 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 0.00 131 E 7.86 4.35 0.00 2.06 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 2.32 2.42 0.00 132 Q 8.37 4.77 0.00 1.91 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 7.03 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 133 L 8.83 4.02 0.00 1.66 1.53 0.64 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 134 F 7.65 5.68 0.00 2.48 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 0.00 135 T 8.42 5.13 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 0.77 0.00 0.00 136 A 9.67 5.22 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 0.00 0.00 0.00 0.00 0.00 0.00 137 Y 8.80 5.12 0.00 2.29 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.89 5.30 0.00 3.06 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 0.00 139 N 8.84 5.02 0.00 2.76 2.82 0.00 0.00 6.43 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 V 8.74 3.58 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 0.80 0.00 0.00 1.00 0.00 0.00 141 E 8.30 4.08 0.00 2.10 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 2.42 2.36 0.00 142 D 8.02 4.77 0.00 2.68 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 0.00 143 A 7.66 3.95 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 0.00 144 E 7.96 4.03 0.00 1.84 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 145 H 7.85 4.30 0.00 3.21 3.18 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 V 7.42 3.31 1.73 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 0.70 0.00 0.00 0.02 0.00 0.00 147 K 7.48 3.83 0.00 1.95 1.86 0.00 1.90 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.55 7.81 148 E 8.04 3.85 0.00 2.19 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.10 0.00 149 A 7.55 3.86 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 0.00 150 F 8.07 4.39 0.00 3.01 2.96 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 0.00 151 R 7.48 2.94 0.00 1.88 1.88 0.00 3.23 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.67 0.00 152 R 7.68 3.88 0.00 1.93 1.82 0.00 3.01 0.00 0.00 3.06 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 153 A 7.37 3.88 1.13 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 0.00 0.00 154 Y 7.78 4.40 0.00 2.92 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 0.00 155 N 7.47 4.79 0.00 2.89 2.89 0.00 0.00 6.74 7.49 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 0.00 156 K 7.93 4.69 0.00 1.73 1.78 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.31 7.81 157 I 7.56 4.72 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.72 0.99 0.00 0.00 158 T 8.72 3.92 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 1.22 0.00 0.00 159 P 0.00 4.57 0.00 2.16 2.06 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 1.99 1.98 0.00 160 S 8.16 4.44 0.00 3.80 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 0.00 161 C 7.92 5.24 0.00 2.76 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 R 8.94 4.56 0.00 1.71 1.82 0.00 3.10 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 163 I 8.46 4.64 2.00 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 1.53 0.77 1.14 0.00 0.00 164 K 9.17 4.51 0.00 1.80 1.67 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.37 7.81 165 V 8.42 3.80 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 0.88 0.00 0.00 0.95 0.00 0.00 166 E 9.82 4.00 0.00 1.98 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 0.00 2.49 2.37 0.00 167 R 8.42 4.23 0.00 1.91 1.96 0.00 3.38 0.00 0.00 3.41 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.89 0.00 168 G 7.68 4.71 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 0.00 169 E 8.62 4.69 0.00 1.93 1.92 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 2.21 2.30 0.00 170 E 8.16 4.41 0.00 1.95 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 2.30 2.36 0.00 171 L 7.29 4.30 0.00 1.52 1.46 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.