NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 R 4.1178 8.2431 119.7053 56.6326 30.2074 171.0293 19 G 3.5124 8.9542 114.1636 43.3060 0.0000 168.7904 20 Q 4.9286 9.2904 124.3572 55.2798 33.8926 171.7689 21 I 4.9896 9.2132 121.1681 59.6685 40.3265 174.6192 22 Q 5.1578 9.1820 126.1212 53.9900 31.9698 174.6805 23 V 4.7106 8.9031 123.3880 61.1286 34.7444 174.1668 24 I 4.6369 9.0633 129.1717 59.9055 39.1254 175.0942 25 L 5.6201 9.3409 127.8596 51.6237 44.6503 176.3495 26 G 4.2743 7.9705 109.4879 44.1530 0.0000 170.0804 27 P 4.5530 0.0000 0.0000 61.6192 32.0040 175.8407 28 M 3.7161 8.3071 117.8651 56.7770 32.0125 177.3488 29 F 4.0549 8.0797 118.1433 58.4981 36.2138 175.9489 30 S 4.6203 7.5910 114.3556 57.7895 63.5289 174.4752 31 G 3.8955 8.0999 109.3157 47.0982 0.0000 176.1214 32 K 3.9096 8.2634 121.0354 59.4840 32.0546 178.9620 33 S 4.1334 8.0272 114.7141 61.8406 62.7443 176.8053 34 T 3.9343 7.8309 118.1047 66.5276 68.3186 176.2675 35 E 3.9672 8.3313 121.3365 58.9810 29.6276 178.4654 36 L 3.9591 8.1541 120.6304 58.6766 42.0912 179.0465 37 M 4.0826 8.1252 118.5066 58.1102 31.9689 178.5315 38 R 3.8940 8.4509 119.4392 59.7130 30.3461 178.8389 39 R 3.9256 8.0919 117.5948 59.1934 30.0994 179.2327 40 V 3.8337 8.0209 118.1113 66.2456 31.5026 178.3846 41 R 4.0290 8.4579 118.0629 59.0751 29.0606 179.1255 42 R 3.8286 7.8413 117.7451 59.3698 30.0142 179.0369 43 F 4.4670 7.7640 116.5030 60.3370 38.9475 177.6830 44 Q 4.2520 8.3226 119.3631 59.3231 28.6817 178.2353 45 I 3.6814 8.0458 118.7126 63.3217 38.1898 175.9685 46 A 4.4994 7.4296 122.1995 52.0662 18.5961 177.2990 47 Q 3.8952 8.2926 114.8688 57.4103 26.6007 173.3400 48 Y 4.2749 7.8701 115.6031 57.7774 38.9249 175.6953 49 K 4.3534 8.7230 122.6491 56.4933 33.4795 175.7547 50 C 5.5019 8.7354 121.3478 57.8468 32.4916 172.5952 51 L 5.0282 8.9140 123.1022 53.3236 45.4303 175.1188 52 V 4.8970 8.7081 125.3264 61.1325 34.4377 174.0619 53 I 5.1218 8.8723 128.4829 59.3112 40.1372 174.7532 54 K 5.1079 8.9082 125.2240 54.8334 36.6795 174.5898 55 Y 4.8990 8.2719 121.9140 57.4012 38.8954 176.5343 56 A 3.9353 8.6318 131.1273 54.8475 18.6733 178.5145 57 K 3.7137 5.9946 113.5573 58.0169 32.3420 177.0148 58 D 4.5118 7.0935 118.7141 53.4416 39.4728 175.1497 59 T 4.4322 7.9419 112.3888 60.7594 69.7353 175.8146 60 R 4.0668 7.9222 121.8021 56.8547 30.9245 177.0107 61 Y 4.0929 8.9605 123.2864 60.7979 38.9328 178.5578 62 S 4.1706 8.2347 112.7217 60.4111 63.3538 174.6707 63 S 4.6478 7.6668 114.3147 57.8450 62.9797 174.2025 64 S 4.6921 7.5352 115.9127 57.9747 64.6253 172.9501 65 F 4.7930 8.7220 115.9480 57.7794 41.7158 174.8286 *73 M 4.4178 8.4802 114.8287 54.0229 33.4386 176.4151 74 E 4.2947 8.2548 116.4482 56.2774 31.2747 175.6175 75 A 5.0618 8.4012 123.4725 50.2911 22.0065 175.2424 76 L 4.8448 9.0519 122.6833 52.3231 46.0700 174.4668 77 P 5.0495 0.0000 0.0000 63.0672 32.4686 175.3394 78 A 4.7320 8.9268 121.8185 51.6674 22.4869 176.7614 79 C 4.5250 8.9330 116.4971 59.9941 29.9743 174.2457 80 L 4.9634 7.6865 121.0637 53.0586 44.9537 176.6660 81 L 3.4491 9.4024 126.5329 57.5390 41.8989 179.4652 82 R 4.0347 8.6338 118.1730 59.6467 30.1589 178.4623 83 D 4.5105 8.0420 116.2830 56.5430 41.0939 177.4062 84 V 4.7221 8.0331 111.6456 59.7873 32.5316 177.7270 85 A 4.2979 8.0553 125.4299 55.2628 17.8347 180.4605 86 Q 3.9633 7.9945 115.6917 59.2462 29.0461 178.2920 87 E 4.1078 8.1717 118.9119 59.3227 29.6649 179.0916 88 A 4.0434 8.1382 120.8713 55.1484 18.2428 179.6148 89 L 4.0827 8.2969 117.1813 57.2338 41.6614 178.3980 90 G 3.9711 7.6138 105.1548 45.1645 0.0000 173.2259 91 V 4.4484 7.4545 111.9785 59.2272 35.0131 175.2285 92 A 4.4389 8.5829 121.9551 53.1519 20.5889 177.5873 93 V 4.5868 7.5866 114.9340 61.0940 35.0661 174.4736 94 I 4.8555 8.8419 128.7558 59.5512 40.0955 174.6744 95 G 4.3989 9.1477 115.1888 44.6716 0.0000 172.3216 96 I 5.0456 8.7879 123.8575 59.2914 39.2007 173.8927 97 D 4.9569 9.2202 127.3440 52.8931 43.4448 175.8875 98 E 3.8617 8.6363 122.6139 56.8242 27.0936 176.1702 99 G 3.9839 8.4028 110.4261 48.8841 0.0000 175.6093 100 Q 3.7782 7.5545 116.4262 58.3953 28.3889 177.1273 101 F 4.2776 7.1506 115.3772 57.6590 39.3806 175.3521 102 F 4.6107 7.7075 121.2205 55.3875 39.2887 175.0538 103 P 4.3515 0.0000 0.0000 65.0257 31.4594 176.8237 104 D 5.1614 7.9740 115.7237 52.4658 40.0861 177.9509 105 I 3.6455 7.9648 122.3554 64.9891 37.8125 177.8655 106 V 3.5658 7.7276 118.2529 66.2072 31.3298 177.7354 107 E 4.0044 8.1541 117.8940 59.2241 29.2866 179.0296 108 F 4.1211 8.5812 120.9688 61.4714 39.4295 177.0454 109 C 4.0902 8.1904 116.4021 62.7791 27.9343 175.7225 110 E 3.8483 8.1938 120.6679 59.1795 29.3521 178.7530 111 A 3.8960 7.8803 120.7803 55.3862 18.4613 179.5611 112 M 3.7591 7.8949 117.1929 58.3642 31.9779 178.8962 113 A 4.1611 8.1435 121.2366 55.2598 18.3476 179.3981 114 N 4.3707 8.1462 113.4315 55.4524 38.6498 176.4332 115 A 4.3833 7.4131 120.2373 51.8991 19.0177 177.9149 116 G 3.8856 7.9688 106.5620 44.8934 0.0000 174.2911 117 K 4.3667 7.8873 119.4540 56.1768 33.8940 176.1968 118 T 4.5963 8.3431 120.2304 62.7977 69.8817 173.9006 119 V 4.7160 8.8238 127.4360 61.0538 34.1996 174.1842 120 I 4.9600 8.9496 128.9282 59.4491 40.4203 174.5776 121 V 4.8472 8.9251 126.9483 60.9963 34.2986 173.7854 122 A 5.2086 8.9020 130.0342 50.5241 21.1530 175.4192 123 A 4.7485 8.5897 122.1541 50.4678 23.3019 175.6351 124 L 4.6426 8.4232 121.2990 54.3475 41.4928 177.6219 125 D 4.5088 8.9720 123.0835 55.0142 40.2261 176.4805 126 G 4.1522 7.7035 107.0473 43.3522 0.0000 172.2634 127 T 4.0974 8.4640 113.8065 60.2579 69.7036 175.2275 128 F 4.8235 8.9341 115.4189 58.9491 36.6361 175.9139 129 Q 4.1868 7.4321 118.7060 54.0798 28.6635 175.7922 130 R 3.6262 7.7421 116.2196 57.1952 28.3123 176.1971 131 K 4.5501 6.8590 112.2410 53.5014 34.5965 174.5119 132 P 4.5044 0.0000 0.0000 63.2786 31.6862 176.2014 133 F 4.4484 8.6979 125.1496 57.1263 39.7703 175.7486 134 G 3.8327 8.3915 120.7227 47.2915 0.0000 172.9386 135 A 4.5629 8.3807 126.5458 51.7508 19.7251 178.3248 136 I 3.6696 7.5393 118.8835 64.5656 37.9087 177.6878 137 L 4.1907 7.8400 118.1505 56.7145 41.4264 178.3565 138 N 4.5502 8.0055 115.8343 55.2680 38.8426 176.7064 139 L 4.1351 7.9916 121.0913 57.1769 41.6177 179.2876 140 V 3.5706 7.6036 118.6620 65.7604 31.2981 176.4520 141 P 4.3612 0.0000 0.0000 64.8276 31.2948 177.7670 142 L 4.2222 7.6158 115.6127 54.5529 42.2614 176.3898 143 A 4.7427 7.0674 122.2533 50.6084 20.3847 177.2390 144 E 4.2272 8.6140 121.5725 58.8741 30.4526 177.6687 145 S 4.6401 7.8337 113.7460 56.6180 66.1016 173.0358 146 V 4.9421 8.3954 125.8737 61.4556 34.3222 174.5329 147 V 4.5712 8.8556 120.2798 59.3257 35.9274 174.4948 148 K 4.8236 8.4820 124.2455 54.6509 33.6092 175.8218 149 L 4.5085 8.9560 128.4742 54.7293 42.6656 176.4592 150 T 4.7647 8.3695 109.9598 60.1737 71.6958 173.3379 151 A 4.7669 8.6304 125.2816 50.5382 22.5585 175.1347 152 V 4.4146 8.1208 117.8089 61.5866 33.1084 175.4379 153 C 4.4300 9.0782 129.3418 60.0006 31.9934 173.9498 154 M 4.2847 9.0184 125.9136 56.3396 31.9641 176.6754 155 E 4.2452 7.6123 117.5195 56.6413 31.7610 176.1945 156 C 4.3729 6.7321 109.2845 56.3584 31.0988 174.9647 157 F 4.0582 7.3409 117.7448 58.2661 36.7851 174.9648 158 R 4.5267 7.2335 120.0382 54.8498 32.2857 175.4382 159 E 4.5864 8.7429 119.0698 56.7983 30.2352 176.7061 160 A 4.8684 9.2582 124.9453 50.2475 21.4833 176.5187 161 A 4.3447 8.2940 121.7944 51.6073 20.6895 175.3164 162 Y 4.9460 7.7218 112.4812 56.1953 42.7798 174.5170 163 T 5.1867 8.5906 116.6091 61.8965 71.7271 172.9893 164 K 4.9246 9.5403 128.4684 54.8443 34.2626 175.2134 165 R 4.4023 8.8406 127.8952 56.2686 30.3376 176.0697 166 L 4.0494 8.6478 126.6766 57.0924 42.4229 177.3848 167 G 3.9798 7.4986 107.8002 44.8025 0.0000 173.3089 168 T 4.4218 7.1954 110.0943 61.0049 69.4537 174.4672 169 E 3.9970 7.9635 122.1087 56.9714 29.8643 176.7162 170 K 4.5628 8.3855 120.2887 56.9654 34.5973 176.5955 171 E 4.2679 7.9215 117.1492 55.7541 30.4856 176.9985 172 V 3.7842 8.4834 121.0773 66.2045 31.7333 176.6411 173 E 4.4261 8.1369 125.4041 55.6096 28.3860 175.7610 174 V 4.3430 8.2247 125.3458 60.5612 33.3793 175.2136 175 I 3.9961 8.6232 128.9848 60.6142 37.5402 176.0833 176 G 4.2592 7.8689 113.9715 45.9697 0.0000 172.7648 177 G 4.4346 8.1182 108.4798 45.1171 0.0000 175.6066 178 A 4.8362 9.3576 124.1441 53.9305 18.6668 178.4863 179 D 4.5439 8.2987 114.7948 55.4150 39.7553 177.0204 180 K 4.4984 8.5131 117.1429 56.0389 34.9397 175.5784 181 Y 5.4382 7.9963 116.6740 56.7695 42.9032 173.5385 182 H 5.5274 9.4301 119.3183 53.8592 32.6971 173.3591 183 S 5.0681 8.9035 116.9707 58.6986 64.4491 173.4359 184 V 4.9539 9.0903 116.2773 59.6864 36.6098 175.0824 185 C 4.6786 8.5433 117.7321 57.2650 31.1798 174.6174 186 R 3.9746 8.8163 118.8932 59.6567 29.7107 177.9292 187 L 4.3072 7.9846 118.2497 58.2363 41.5675 179.2018 188 C 4.1916 8.0929 114.8625 62.7583 28.0663 174.7874 189 Y 4.0771 8.3367 121.4789 60.4496 38.0285 177.8434 190 F 4.6147 8.2130 116.3903 58.7556 39.9445 176.0624 191 K 5.1961 7.2991 121.6734 55.3936 31.2795 175.1285 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 18 R 8.24 4.12 0.00 1.82 1.98 0.00 3.29 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 19 G 8.95 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 20 Q 9.29 4.93 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.70 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 21 I 9.21 4.99 1.85 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 1.19 0.85 0.90 0.00 0.00 22 Q 9.18 5.16 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 23 V 8.90 4.71 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 0.96 0.00 0.00 0.92 0.00 0.00 24 I 9.06 4.64 1.85 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 1.22 0.53 0.90 0.00 0.00 25 L 9.34 5.62 0.00 1.61 1.55 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.97 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 0.00 0.00 0.00 0.00 27 P 0.00 4.55 0.00 2.20 2.19 0.00 3.82 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.09 0.00 28 M 8.31 3.72 0.00 0.58 1.57 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.10 0.00 29 F 8.08 4.05 0.00 3.29 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.59 4.62 0.00 4.25 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 31 G 8.10 3.90 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 0.00 0.00 0.00 32 K 8.26 3.91 0.00 1.77 1.85 0.00 1.86 0.00 0.00 1.87 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.50 7.81 33 S 8.03 4.13 0.00 3.88 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.83 3.93 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 35 E 8.33 3.97 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 36 L 8.15 3.96 0.00 1.79 1.86 0.97 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 37 M 8.13 4.08 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.84 0.00 38 R 8.45 3.89 0.00 1.94 2.10 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 39 R 8.09 3.93 0.00 2.10 2.05 0.00 3.21 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 40 V 8.02 3.83 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 1.06 0.00 0.00 1.02 0.00 0.00 41 R 8.46 4.03 0.00 1.94 1.98 0.00 3.22 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 42 R 7.84 3.83 0.00 1.78 1.61 0.00 2.98 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.79 0.00 43 F 7.76 4.47 0.00 3.27 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 44 Q 8.32 4.25 0.00 2.29 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 45 I 8.05 3.68 1.96 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 1.24 0.82 0.99 0.00 0.00 46 A 7.43 4.50 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.29 3.90 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.37 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 48 Y 7.87 4.27 0.00 3.07 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 49 K 8.72 4.35 0.00 1.74 1.74 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.54 1.47 7.81 50 C 8.74 5.50 0.00 2.84 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 51 L 8.91 5.03 0.00 1.69 1.43 0.93 1.15 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 52 V 8.71 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 0.99 0.00 0.00 0.89 0.00 0.00 53 I 8.87 5.12 1.67 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.63 0.80 0.00 0.00 54 K 8.91 5.11 0.00 1.87 1.93 0.00 1.33 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.39 7.81 55 Y 8.27 4.90 0.00 2.82 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 56 A 8.63 3.94 1.17 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 0.00 0.00 0.00 57 K 5.99 3.71 0.00 0.79 1.49 0.00 1.61 0.00 0.00 1.47 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.10 0.80 7.81 58 D 7.09 4.51 0.00 2.84 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 59 T 7.94 4.43 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 60 R 7.92 4.07 0.00 2.06 1.99 0.00 3.24 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 61 Y 8.96 4.09 0.00 3.08 3.04 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 8.23 4.17 0.00 4.09 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 0.00 63 S 7.67 4.65 0.00 4.06 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 64 S 7.54 4.69 0.00 4.04 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 65 F 8.72 4.79 0.00 3.07 2.62 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 *73 M 8.48 4.42 0.00 2.06 2.32 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 74 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0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.86 0.00 83 D 8.04 4.51 0.00 2.80 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.03 4.72 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 1.10 0.00 0.00 0.86 0.00 0.00 85 A 8.06 4.30 1.51 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 86 Q 7.99 3.96 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 87 E 8.17 4.11 0.00 2.22 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 2.40 2.44 0.00 88 A 8.14 4.04 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.30 4.08 0.00 1.74 1.74 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 90 G 7.61 3.97 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 0.00 0.00 0.00 91 V 7.45 4.45 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.03 0.00 0.00 92 A 8.58 4.44 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 7.59 4.59 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 0.85 0.00 0.00 0.10 0.00 0.00 94 I 8.84 4.86 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.48 1.01 0.00 0.00 95 G 9.15 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.79 5.05 1.82 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 0.88 0.78 0.71 0.00 0.00 97 D 9.22 4.96 0.00 2.82 2.60 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 98 E 8.64 3.86 0.00 2.39 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 108 F 8.58 4.12 0.00 3.15 3.04 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 C 8.19 4.09 0.00 3.11 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 0.00 110 E 8.19 3.85 0.00 2.12 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 2.29 2.34 0.00 111 A 7.88 3.90 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 M 7.89 3.76 0.00 1.74 1.80 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.72 0.00 113 A 8.14 4.16 1.33 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 0.00 0.00 0.00 114 N 8.15 4.37 0.00 2.74 2.85 0.00 0.00 7.00 6.95 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 0.00 115 A 7.41 4.38 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 G 7.97 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 K 7.89 4.37 0.00 1.81 1.61 0.00 1.46 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.48 7.81 118 T 8.34 4.60 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 0.95 0.00 0.00 119 V 8.82 4.72 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 1.06 0.00 0.00 0.83 0.00 0.00 120 I 8.95 4.96 1.86 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.55 0.92 0.00 0.00 121 V 8.93 4.85 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 0.80 0.00 0.00 0.93 0.00 0.00 122 A 8.90 5.21 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.59 4.75 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 8.42 4.64 0.00 1.21 1.78 0.81 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 125 D 8.97 4.51 0.00 2.83 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 0.00 126 G 7.70 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 T 8.46 4.10 3.98 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 0.00 0.00 0.55 0.00 0.00 128 F 8.93 4.82 0.00 3.38 3.45 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 0.00 0.00 0.00 0.00 129 Q 7.43 4.19 0.00 1.67 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.33 0.00 0.00 0.00 0.00 0.00 1.61 1.16 0.00 130 R 7.74 3.63 0.00 1.59 1.71 0.00 2.21 0.00 0.00 2.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.98 0.00 131 K 6.86 4.55 0.00 1.62 1.59 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 1.39 7.81 132 P 0.00 4.50 0.00 2.03 2.01 0.00 3.62 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 133 F 8.70 4.45 0.00 2.96 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 G 8.39 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 0.00 0.00 0.00 135 A 8.38 4.56 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 0.00 136 I 7.54 3.67 1.86 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 1.44 1.16 1.00 0.00 0.00 137 L 7.84 4.19 0.00 1.73 1.69 0.92 0.72 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 0.00 138 N 8.01 4.55 0.00 2.85 2.88 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 0.00 139 L 7.99 4.14 0.00 1.81 1.71 0.92 0.56 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 0.00 140 V 7.60 3.57 2.19 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 1.03 0.00 0.00 0.97 0.00 0.00 141 P 0.00 4.36 0.00 2.06 2.10 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.17 0.00 142 L 7.62 4.22 0.00 1.77 1.85 0.96 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 143 A 7.07 4.74 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 8.61 4.23 0.00 2.00 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 0.00 2.34 2.29 0.00 145 S 7.83 4.64 0.00 3.84 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 V 8.40 4.94 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 0.86 0.00 0.00 0.92 0.00 0.00 147 V 8.86 4.57 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 0.61 0.00 0.00 0.92 0.00 0.00 148 K 8.48 4.82 0.00 1.70 1.66 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.70 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.25 1.38 7.81 149 L 8.96 4.51 0.00 1.50 1.57 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 150 T 8.37 4.76 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 1.17 0.00 0.00 151 A 8.63 4.77 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 0.00 152 V 8.12 4.41 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 0.93 0.00 0.00 0.98 0.00 0.00 153 C 9.08 4.43 0.00 3.01 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 9.02 4.28 0.00 1.74 1.86 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.37 0.00 155 E 7.61 4.25 0.00 1.80 1.85 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 2.12 2.12 0.00 156 C 6.73 4.37 0.00 2.99 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 0.00 157 F 7.34 4.06 0.00 3.32 3.24 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 0.00 158 R 7.23 4.53 0.00 1.85 1.90 0.00 3.16 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 159 E 8.74 4.59 0.00 1.85 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 2.33 0.00 160 A 9.26 4.87 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 A 8.29 4.34 0.45 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 0.00 0.00 0.00 0.00 0.00 0.00 162 Y 7.72 4.95 0.00 2.99 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 0.00 163 T 8.59 5.19 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 1.35 0.00 0.00 164 K 9.54 4.92 0.00 1.89 1.81 0.00 1.52 0.00 0.00 1.30 0.00 0.00 2.78 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.34 7.81 165 R 8.84 4.40 0.00 1.82 1.80 0.00 2.56 0.00 0.00 2.95 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.15 0.00 166 L 8.65 4.05 0.00 1.46 1.59 0.80 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 167 G 7.50 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 168 T 7.20 4.42 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 1.18 0.00 0.00 169 E 7.96 4.00 0.00 1.75 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 2.24 2.29 0.00 170 K 8.39 4.56 0.00 1.90 1.95 0.00 1.59 0.00 0.00 1.90 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.35 7.81 171 E 7.92 4.27 0.00 2.15 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 0.00 2.29 2.27 0.00 172 V 8.48 3.78 2.12 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 0.42 0.00 0.00 0.92 0.00 0.00 173 E 8.14 4.43 0.00 2.28 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 0.00 2.33 2.36 0.00 174 V 8.22 4.34 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 0.86 0.00 0.00 0.90 0.00 0.00 175 I 8.62 4.00 1.89 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 1.32 0.99 0.98 0.00 0.00 176 G 7.87 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 G 8.12 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 0.00 0.00 0.00 0.00 178 A 9.36 4.84 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 0.00 179 D 8.30 4.54 0.00 2.82 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 0.00 180 K 8.51 4.50 0.00 1.58 1.35 0.00 1.78 0.00 0.00 1.50 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.26 1.38 7.81 181 Y 8.00 5.44 0.00 3.23 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 0.00 182 H 9.43 5.53 0.00 3.14 3.16 0.00 5.63 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 S 8.90 5.07 0.00 4.04 4.54 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 0.00 0.00 0.00 0.00 184 V 9.09 4.95 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 0.80 0.00 0.00 1.27 0.00 0.00 185 C 8.54 4.68 0.00 3.17 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 0.00 186 R 8.82 3.97 0.00 2.12 2.18 0.00 3.36 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.89 0.00 187 L 7.98 4.31 0.00 1.80 1.77 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 188 C 8.09 4.19 0.00 2.98 3.17 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 0.00 189 Y 8.34 4.08 0.00 3.07 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 0.00 190 F 8.21 4.61 0.00 3.08 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 0.00 191 K 7.30 5.20 0.00 2.00 1.74 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.53 7.81 * Residues marked with a * may have inaccurate shift predictions.