NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4650 8.3349 115.4199 57.9976 64.4128 172.3661 3 K 4.2244 8.2643 119.7707 54.6797 33.2786 175.0690 4 A 4.4150 9.3977 126.3179 51.6564 20.9701 175.8186 5 K 5.1373 8.8107 121.9834 54.7435 35.0151 175.2924 6 I 4.9560 9.0121 125.6291 59.4167 40.3769 175.1332 7 G 4.2246 9.3716 115.6729 45.9535 0.0000 172.5130 8 I 5.1732 9.2967 124.2723 59.4440 40.8988 174.6078 9 V 4.6169 8.8977 128.2402 61.3970 33.9263 174.6104 10 T 4.6871 8.8582 126.5627 62.5380 69.7759 174.5254 11 V 4.5056 8.8011 129.0856 62.0311 32.9429 174.9640 12 S 4.4092 9.1641 121.6866 56.5651 65.8597 175.3447 13 D 4.5683 9.1009 129.8970 57.0296 40.6479 179.3344 14 R 3.9193 7.9146 117.6545 59.2242 30.0147 178.7836 15 A 4.0684 8.1463 120.0192 55.1260 18.5291 179.5529 16 S 4.1725 8.2874 112.6344 61.4561 62.8180 176.5688 17 A 4.1240 7.7632 123.7522 52.6794 18.3281 176.0570 18 G 3.5482 6.4814 103.6027 44.0178 0.0000 173.2593 19 I 4.7637 7.8574 118.0437 58.7773 41.0853 174.7986 20 Y 4.1915 8.8237 122.4253 60.2453 38.7468 176.2295 21 E 4.6108 7.7643 114.1609 53.9521 32.3565 175.4400 22 D 4.6635 8.4619 121.2048 53.4240 39.9586 176.7106 23 I 3.7997 8.0052 120.1863 63.1298 38.0839 178.3522 24 S 4.1775 8.1501 115.8990 61.4233 63.0898 176.5377 25 G 3.8689 8.6330 111.6671 46.4026 0.0000 175.3693 26 K 3.7960 8.4144 122.3461 59.2082 32.2628 178.4723 27 A 3.9625 8.2596 121.2627 55.3088 18.1280 179.7090 28 I 3.5296 7.5937 117.5189 64.6544 37.1970 178.5792 29 I 3.8411 7.7641 119.3874 64.1140 37.7600 177.6101 30 D 4.3169 8.4596 120.2836 57.6398 40.6700 178.9901 31 T 3.4794 7.6160 115.9433 66.4004 68.4098 176.8867 32 L 3.3879 7.7631 121.1521 57.6596 41.3295 179.2267 33 N 4.6325 8.2930 115.5592 56.7565 38.5871 176.9475 34 D 4.5114 7.8061 119.1032 57.2427 41.0285 178.2097 35 Y 4.4182 7.7626 117.5493 59.5465 37.9781 175.5899 36 L 5.0372 7.4233 119.2346 53.6629 42.9578 176.6115 37 T 4.4178 8.9070 113.7313 62.6167 70.0180 175.7083 38 S 4.4810 7.8993 115.5830 57.6096 63.8895 173.6177 39 E 4.3426 8.5934 121.5648 56.4645 29.9067 176.3291 40 W 5.4752 8.2135 118.0383 55.2918 31.6964 173.5375 41 E 4.3197 9.5100 122.9097 53.6609 31.2004 173.3262 42 P 4.9917 0.0000 0.0000 62.7932 32.3259 176.2472 43 I 4.3882 9.2142 126.6446 59.9712 38.7963 173.5725 44 Y 5.4221 8.5415 128.1937 55.8817 40.7348 174.5555 45 Q 4.1472 8.7098 126.4642 54.3372 33.1486 173.1822 46 V 4.7363 7.8961 125.4124 61.2246 33.3501 174.6811 47 I 4.8289 8.6531 120.4816 58.5152 41.4244 172.7881 48 P 4.6925 0.0000 0.0000 61.7953 32.5138 176.7746 49 D 4.6222 8.4176 120.7660 53.6764 39.0292 176.6108 50 E 4.5608 7.5902 119.8817 53.6958 32.6310 174.6163 51 Q 3.9588 8.7335 127.5302 59.6824 29.1203 178.0403 52 D 4.3378 8.0798 119.1406 57.4483 40.8351 178.9298 53 V 3.5644 7.7025 118.1739 65.8312 31.5489 177.7766 54 I 3.6589 7.8185 119.5675 64.5164 36.9353 177.9119 55 E 3.9333 8.3578 119.3277 59.9305 29.3942 179.4674 56 T 3.8533 7.9925 115.4778 67.1196 68.3378 176.4145 57 T 3.8472 7.7392 115.7898 66.8413 68.6210 176.1893 58 L 4.1361 7.8393 119.2807 57.8911 41.8630 179.4058 59 I 3.9038 7.9860 119.8493 64.1351 37.0428 179.2029 60 K 4.1479 7.9741 117.2101 56.9087 31.5560 178.2088 *62 A 4.2580 7.8716 121.0004 51.9012 20.3853 178.7839 63 D 4.5198 8.4084 114.1730 57.2758 41.3206 177.9951 64 E 4.2095 8.1687 116.7887 58.6137 29.8096 177.6400 65 Q 4.3111 8.0312 114.0574 55.1817 29.4548 174.8741 66 D 4.4850 7.9604 116.5461 55.3258 38.4206 173.8271 67 C 4.5710 8.0882 116.2356 59.8129 28.9719 174.0707 68 C 4.4019 8.8429 120.7318 60.0433 30.8814 173.3273 69 L 5.3539 7.9008 120.5123 53.1700 45.6735 175.1532 70 I 5.1379 9.0996 125.4368 59.6659 41.0991 174.5299 71 V 4.9930 9.0793 120.8356 59.7420 34.4437 175.0527 72 T 5.0909 8.7965 115.3725 60.3661 71.5698 173.2961 73 T 5.1245 8.5094 117.0514 60.3505 70.5942 173.5790 74 G 4.0181 9.0196 114.4930 46.4079 0.0000 172.5164 75 G 3.9420 8.7404 104.8053 47.0154 0.0000 174.9672 76 T 4.3922 7.9554 106.2439 60.8395 69.7659 174.0473 77 G 4.0395 7.8546 112.0699 43.8442 0.0000 171.9170 78 P 4.3592 0.0000 0.0000 64.0493 32.0467 176.6632 79 A 4.1714 7.7783 122.7480 51.9475 18.9944 178.2977 80 K 3.9658 8.7053 120.2619 59.7601 32.2216 179.1257 81 R 3.9492 7.8872 115.6906 58.2186 29.8734 176.3135 82 D 4.6394 8.0077 118.9680 53.8107 40.2670 176.5556 83 V 5.1443 7.9560 115.3376 59.4686 33.8000 178.0902 84 T 3.8994 8.1814 120.3970 66.3711 68.1127 174.8238 85 P 4.3965 0.0000 0.0000 65.3808 31.4952 178.4455 86 E 3.9310 8.1890 116.8406 59.4482 29.3397 179.0591 87 A 4.0191 8.0397 120.6401 55.4170 18.3243 179.9087 88 T 3.8116 8.0729 114.1754 66.8889 68.3717 176.7405 89 E 3.9476 8.3594 119.2644 59.5646 29.5665 179.1596 90 A 4.1142 7.9975 119.5754 54.6109 18.5003 179.2369 91 V 3.9848 7.3879 109.0504 61.4225 32.6356 176.2051 92 C 4.6299 7.1386 116.0601 58.7639 29.1894 173.6208 93 D 4.5168 8.9422 123.6845 56.6105 41.0171 176.2555 94 R 4.4594 7.3546 113.7151 54.6414 32.3930 173.1419 *97 P 4.4582 0.0000 0.0000 62.8107 33.2328 178.9790 98 G 3.6578 8.1112 105.3327 47.3924 0.0000 175.6836 99 F 4.0751 8.4373 119.0838 60.4687 39.2272 177.2838 100 G 3.9167 8.2498 103.4338 47.9433 0.0000 174.6910 101 E 4.2103 8.1097 121.0038 59.1098 29.4766 180.6469 102 L 4.1782 7.8199 118.2448 55.5347 42.0367 178.7870 *104 R 4.2316 8.0160 117.4928 55.7203 32.0603 177.6703 105 A 3.9998 8.0496 118.2131 55.3937 18.4760 179.3122 106 E 4.1212 8.6130 117.2856 59.7516 29.6609 179.7841 107 S 4.4584 8.1272 114.6905 61.3680 62.6253 176.2327 108 L 4.3463 8.4222 123.3682 57.7181 41.5553 178.9610 109 K 3.9217 7.7762 117.2875 58.4318 31.8385 178.2700 110 F 4.6205 7.3306 117.2273 57.7202 40.4636 176.7414 111 V 4.5711 7.5705 110.8684 58.0491 35.1778 174.7808 112 P 4.3526 0.0000 0.0000 65.6433 31.1640 178.1383 113 T 4.0937 7.8464 106.0597 62.3412 69.1839 175.8177 114 A 4.0407 8.0341 125.3632 55.5900 18.1004 179.0194 115 I 4.0258 7.1582 108.5708 62.4435 37.9322 177.4108 116 L 4.2573 7.7909 120.4453 55.3328 42.0703 176.9033 117 S 4.3932 7.4645 114.1952 58.5500 62.7428 173.6084 118 R 4.6680 9.1142 126.5631 56.0465 30.7677 176.3248 119 Q 4.0811 7.9431 118.7690 57.2786 29.4400 176.1337 120 T 4.8229 8.8541 116.9500 61.4105 71.4229 171.6864 121 A 4.9224 8.4649 120.3556 51.4557 22.1525 175.8679 122 G 4.0553 8.5828 106.6047 45.6884 0.0000 171.5450 123 L 5.2195 9.1622 119.7317 52.6922 44.7145 176.4404 124 R 4.7860 8.8023 124.0191 54.9755 31.8929 176.9133 125 G 3.8471 9.3449 119.0379 47.0947 0.0000 172.6546 126 D 4.8025 8.9525 120.8211 52.8078 39.7002 175.3282 127 S 4.9117 8.1354 116.5813 57.3976 65.3931 172.8974 128 L 4.7164 8.5226 126.9594 54.1236 43.6101 175.1149 129 I 4.9798 8.6704 127.2006 59.4556 40.2891 174.6318 130 V 4.5884 8.8293 126.7930 61.0523 34.6698 173.7704 131 N 5.5470 8.8115 125.4644 51.6900 39.6739 174.8360 132 L 4.8921 8.8345 124.3349 52.4251 45.1024 175.0061 133 P 4.5850 0.0000 0.0000 62.5622 33.4996 174.9970 134 G 3.9166 8.5887 104.8019 47.7669 0.0000 175.2894 135 K 4.1164 7.7465 120.6345 54.9788 33.7443 175.8590 136 P 4.2239 0.0000 0.0000 65.8875 31.3519 179.0621 137 K 3.9725 7.9314 116.7760 59.9457 32.5615 179.3090 138 S 4.1021 7.8688 115.8344 61.3143 62.8137 176.1463 139 I 3.6601 8.1625 122.9149 64.7378 36.8346 178.4528 140 R 3.8727 8.0092 119.1257 59.1634 29.8313 178.1926 141 E 3.9720 8.2077 118.5096 59.7474 29.4975 179.1214 142 C 4.1885 8.6349 116.7747 62.9271 28.2147 176.3466 143 L 4.1897 8.2127 120.5486 58.0157 41.0415 179.1262 144 D 4.6027 8.4555 117.9310 57.3371 40.7663 178.7888 145 A 4.1194 7.7774 120.0249 55.2118 18.8507 179.4883 146 V 3.8469 7.8136 109.9604 63.0053 32.2290 178.4550 147 F 4.0011 8.7871 121.1878 60.6301 39.0885 175.0764 148 P 4.3842 0.0000 0.0000 65.2625 31.4514 177.1422 149 A 4.4397 7.8632 118.1434 52.6185 18.9458 179.1807 150 I 3.6467 7.6896 119.6557 63.6684 37.1922 176.4868 151 P 4.0231 0.0000 0.0000 65.5673 31.0494 178.0808 152 Y 4.2147 7.8196 117.9936 60.6512 38.6044 176.9029 153 C 3.8629 7.8558 118.7282 62.8109 31.8249 175.5201 154 I 3.7900 7.8847 121.2625 64.1891 36.4036 177.8892 155 D 4.4036 7.8725 119.0766 57.2928 41.0374 181.5826 156 L 4.0532 7.2897 119.5329 53.8686 41.6068 177.3042 *158 E 4.1639 8.2305 114.1111 56.3472 31.0384 176.1517 159 G 4.1232 7.8631 109.5196 42.9247 0.0000 172.2705 160 P 4.2630 0.0000 0.0000 63.0504 31.4644 175.7442 161 Y 4.2216 8.4097 121.8402 56.5752 37.9946 174.5170 162 L 4.3382 7.9760 127.9468 54.4277 42.7663 176.2919 163 E 4.7450 9.2085 123.7602 54.9191 31.7100 174.9095 164 C 5.2264 8.5744 121.3898 57.7625 31.4510 173.8723 165 N 4.5280 9.6067 121.8873 53.3031 37.3542 175.6302 166 E 4.8730 8.8558 124.4674 57.5976 29.8208 178.3978 167 A 4.1814 7.9861 120.9770 53.7655 18.8901 177.9309 168 V 4.2809 8.2044 114.3254 63.8117 33.8185 175.6847 169 I 4.4577 7.3229 117.5663 59.4425 40.6747 173.4522 170 K 4.3743 8.2571 126.9035 53.2607 31.9652 173.5072 171 P 4.4944 0.0000 0.0000 63.2580 31.8029 175.3287 172 F 4.6765 8.9555 125.5347 56.8578 40.7757 175.4462 173 R 3.8502 7.5066 124.3390 53.1491 32.4318 173.5365 174 P 3.8785 0.0000 0.0000 62.5517 31.4673 176.6460 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 8.33 4.46 0.00 4.03 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 3 K 8.26 4.22 0.00 1.89 1.83 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.53 7.81 4 A 9.40 4.42 1.38 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 0.00 0.00 5 K 8.81 5.14 0.00 1.94 1.80 0.00 1.65 0.00 0.00 2.22 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.50 7.81 6 I 9.01 4.96 2.22 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 1.23 1.02 0.99 0.00 0.00 7 G 9.37 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 0.00 0.00 0.00 0.00 8 I 9.30 5.17 2.17 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.95 1.10 0.00 0.00 9 V 8.90 4.62 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 1.04 0.00 0.00 0.94 0.00 0.00 10 T 8.86 4.69 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 11 V 8.80 4.51 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 1.01 0.00 0.00 0.93 0.00 0.00 12 S 9.16 4.41 0.00 3.85 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 13 D 9.10 4.57 0.00 2.75 2.71 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 14 R 7.91 3.92 0.00 1.87 1.99 0.00 3.14 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 15 A 8.15 4.07 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 16 S 8.29 4.17 0.00 4.06 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 7.76 4.12 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 18 G 6.48 3.55 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 0.00 19 I 7.86 4.76 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.67 0.95 0.00 0.00 20 Y 8.82 4.19 0.00 2.97 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 21 E 7.76 4.61 0.00 2.07 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 0.00 2.69 2.45 0.00 22 D 8.46 4.66 0.00 2.92 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 23 I 8.01 3.80 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 1.72 0.95 0.96 0.00 0.00 24 S 8.15 4.18 0.00 4.10 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 0.00 25 G 8.63 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 0.00 0.00 0.00 26 K 8.41 3.80 0.00 1.92 1.93 0.00 1.46 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.62 7.81 27 A 8.26 3.96 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 28 I 7.59 3.53 2.05 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 1.41 0.84 0.93 0.00 0.00 29 I 7.76 3.84 1.87 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.89 0.90 0.00 0.00 30 D 8.46 4.32 0.00 2.83 2.64 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 31 T 7.62 3.48 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 0.20 0.00 0.00 32 L 7.76 3.39 0.00 1.43 0.83 0.69 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.29 4.63 0.00 2.92 2.98 0.00 0.00 7.12 8.49 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 34 D 7.81 4.51 0.00 2.68 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 35 Y 7.76 4.42 0.00 2.72 2.54 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 36 L 7.42 5.04 0.00 1.68 1.62 -0.11 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.91 4.42 4.31 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 1.30 0.00 0.00 38 S 7.90 4.48 0.00 4.12 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 39 E 8.59 4.34 0.00 2.05 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 2.37 2.35 0.00 40 W 8.21 5.48 0.00 3.56 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 41 E 9.51 4.32 0.00 1.95 1.88 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 2.18 2.18 0.00 42 P 0.00 4.99 0.00 1.85 1.92 0.00 3.32 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.73 0.00 43 I 9.21 4.39 1.95 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 1.15 0.55 1.00 0.00 0.00 44 Y 8.54 5.42 0.00 2.87 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 45 Q 8.71 4.15 0.00 1.99 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.56 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 46 V 7.90 4.74 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 0.84 0.00 0.00 0.76 0.00 0.00 47 I 8.65 4.83 1.84 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 1.34 0.79 0.85 0.00 0.00 48 P 0.00 4.69 0.00 2.09 2.10 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 49 D 8.42 4.62 0.00 2.85 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 50 E 7.59 4.56 0.00 2.02 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 2.24 2.36 0.00 51 Q 8.73 3.96 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 52 D 8.08 4.34 0.00 2.72 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 53 V 7.70 3.56 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 1.05 0.00 0.00 0.92 0.00 0.00 54 I 7.82 3.66 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.68 0.90 0.00 0.00 55 E 8.36 3.93 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.56 0.00 56 T 7.99 3.85 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 1.20 0.00 0.00 57 T 7.74 3.85 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 1.19 0.00 0.00 58 L 7.84 4.14 0.00 1.73 1.73 0.91 0.87 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 59 I 7.99 3.90 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.99 0.96 0.00 0.00 60 K 7.97 4.15 0.00 1.83 1.89 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.55 7.81 *62 A 7.87 4.26 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 63 D 8.41 4.52 0.00 2.76 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 64 E 8.17 4.21 0.00 2.09 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 2.32 2.27 0.00 65 Q 8.03 4.31 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.87 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 66 D 7.96 4.49 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 67 C 8.09 4.57 0.00 2.99 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 68 C 8.84 4.40 0.00 3.02 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 1.23 0.00 0.00 114 A 8.03 4.04 1.47 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 0.00 0.00 115 I 7.16 4.03 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.65 0.92 0.00 0.00 116 L 7.79 4.26 0.00 1.72 1.77 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.46 4.39 0.00 3.89 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 0.00 118 R 9.11 4.67 0.00 1.78 1.91 0.00 3.24 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 119 Q 7.94 4.08 0.00 1.99 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.62 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 120 T 8.85 4.82 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 1.28 0.00 0.00 121 A 8.46 4.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.08 0.49 0.89 0.00 0.00 130 V 8.83 4.59 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 1.16 0.00 0.00 0.69 0.00 0.00 131 N 8.81 5.55 0.00 2.79 2.76 0.00 0.00 6.85 7.47 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 0.00 132 L 8.83 4.89 0.00 1.76 1.60 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 133 P 0.00 4.58 0.00 2.18 2.11 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 134 G 8.59 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 0.00 0.00 0.00 135 K 7.75 4.12 0.00 1.78 1.71 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.52 7.81 136 P 0.00 4.22 0.00 2.13 2.10 0.00 3.58 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.32 0.00 137 K 7.93 3.97 0.00 1.93 2.01 0.00 1.32 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.41 1.49 7.81 138 S 7.87 4.10 0.00 3.96 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 0.00 139 I 8.16 3.66 2.08 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.68 0.89 0.00 0.00 140 R 8.01 3.87 0.00 1.84 1.89 0.00 3.09 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 141 E 8.21 3.97 0.00 2.12 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 2.22 2.22 0.00 142 C 8.63 4.19 0.00 2.96 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.21 4.19 0.00 1.85 1.95 0.84 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 144 D 8.46 4.60 0.00 2.91 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 0.00 145 A 7.78 4.12 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 0.00 146 V 7.81 3.85 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 0.69 0.00 0.00 1.20 0.00 0.00 147 F 8.79 4.00 0.00 3.35 2.88 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 0.00 148 P 0.00 4.38 0.00 2.17 2.10 0.00 3.63 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.08 0.00 149 A 7.86 4.44 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 0.00 150 I 7.69 3.65 0.87 0.00 0.00 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 1.63 0.76 0.61 0.00 0.00 151 P 0.00 4.02 0.00 1.99 1.88 0.00 3.34 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.83 0.00 152 Y 7.82 4.21 0.00 3.13 2.98 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 0.00 153 C 7.86 3.86 0.00 3.21 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 0.00 154 I 7.88 3.79 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.46 0.95 0.00 0.00 155 D 7.87 4.40 0.00 2.58 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 0.00 156 L 7.29 4.05 0.00 1.53 1.53 0.65 0.58 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 *158 E 8.23 4.16 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 159 G 7.86 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 0.00 0.00 0.00 160 P 0.00 4.26 0.00 2.25 2.29 0.00 3.78 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 2.03 2.01 0.00 161 Y 8.41 4.22 0.00 2.97 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 0.00 162 L 7.98 4.34 0.00 1.43 1.59 0.95 0.96 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 0.00 163 E 9.21 4.75 0.00 2.01 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 2.44 2.55 0.00 164 C 8.57 5.23 0.00 2.85 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 0.00 165 N 9.61 4.53 0.00 2.73 2.91 0.00 0.00 7.35 7.53 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 0.00 166 E 8.86 4.87 0.00 2.02 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 2.32 2.29 0.00 167 A 7.99 4.18 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 0.00 168 V 8.20 4.28 2.27 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 0.97 0.00 0.00 1.04 0.00 0.00 169 I 7.32 4.46 1.42 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.95 0.54 0.00 0.00 170 K 8.26 4.37 0.00 1.76 1.75 0.00 1.83 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.38 7.81 171 P 0.00 4.49 0.00 2.02 2.03 0.00 3.83 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 172 F 8.96 4.68 0.00 2.91 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 0.00 173 R 7.51 3.85 0.00 1.45 1.63 0.00 3.26 0.00 0.00 3.37 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.52 0.00 174 P 0.00 3.88 0.00 2.04 2.00 0.00 2.20 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.77 0.00 * Residues marked with a * may have inaccurate shift predictions.