NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3418 8.4293 121.4726 56.0411 31.6266 175.3118 3 T 4.8245 7.5644 106.2310 59.3592 72.1381 171.4646 4 Y 4.9021 9.2589 123.9367 55.2404 43.0958 173.3019 5 P 5.0931 0.0000 0.0000 61.4783 32.7554 174.7762 6 I 4.7181 8.5997 118.2752 59.2510 40.6411 174.8960 7 T 5.3229 8.5830 119.4637 62.0654 72.3103 173.7958 8 V 4.3756 9.0071 124.2150 62.5775 34.4931 175.2229 9 G 4.1362 9.9785 115.9135 46.5533 0.0000 174.3513 10 G 3.9605 8.5515 107.9016 44.9000 0.0000 174.4472 11 V 4.0684 7.9767 121.1137 62.3101 32.2133 174.4309 12 T 5.0937 8.3890 123.5578 61.9102 70.9058 174.0061 13 R 4.2446 8.7684 124.0372 54.7471 33.9091 174.4148 14 H 4.9240 8.7374 121.5515 54.8103 28.5544 175.0113 15 V 4.2523 8.5234 117.3651 59.0734 34.3966 174.0105 16 P 4.7392 0.0000 0.0000 62.4508 33.0960 174.9484 17 L 5.2901 8.3368 119.8995 53.0621 44.4469 176.4085 18 I 4.5472 8.4231 115.3941 59.3070 41.1845 174.2933 19 E 5.0967 8.3193 122.8716 52.9528 28.9036 174.8018 20 P 4.0585 0.0000 0.0000 64.7620 32.2289 176.5223 21 L 4.6889 7.4932 116.5237 51.8610 45.8790 173.3130 22 P 4.3163 0.0000 0.0000 64.9289 31.0625 175.8820 23 G 4.0191 8.3097 109.3459 46.2276 0.0000 173.5662 24 R 4.6307 7.8247 118.5919 54.0846 32.2453 174.5217 25 R 4.8537 8.3181 121.8908 55.0455 32.3805 175.5825 26 I 4.8096 8.4564 114.5734 58.2758 41.4620 172.7872 27 P 4.5413 0.0000 0.0000 62.9224 32.0138 176.2376 28 L 4.2806 8.4617 126.9366 53.9057 41.8193 175.9774 29 V 3.7776 7.9759 119.8438 60.3823 32.3539 175.9084 30 E 4.4692 8.2924 124.6792 54.7318 32.0657 174.6839 31 F 4.8540 8.7045 124.8424 58.6872 40.0020 176.1508 32 L 4.2640 7.8758 121.1168 56.2386 41.5591 177.6208 33 G 4.0152 9.3312 111.7611 45.4339 0.0000 173.1490 34 D 4.8685 7.8920 119.2615 50.6121 41.3543 173.8219 35 P 4.3095 0.0000 0.0000 65.0113 31.6416 177.3988 36 E 3.9550 8.1860 117.5387 59.3947 29.7608 178.5261 37 F 4.5507 8.8568 120.7654 61.6984 39.3851 177.2578 38 T 3.5860 8.4016 115.6173 66.3154 68.1224 176.6656 39 R 3.7713 8.3295 120.7324 59.4066 30.2218 178.4259 40 A 3.9177 8.0554 120.3130 55.1151 18.3386 179.5134 41 A 3.6738 7.8401 119.0485 54.9119 18.2865 179.7748 42 A 3.6940 8.0131 119.6678 55.4222 18.2886 179.8524 43 E 3.8516 8.1561 115.6452 59.2111 29.4999 179.1553 44 A 4.0731 7.5094 120.3139 54.8307 18.6423 179.2214 45 L 4.0349 7.7345 117.5227 57.0795 41.7765 179.1012 46 R 3.8372 8.0045 119.5199 59.1334 29.7488 176.4983 47 P 4.3864 0.0000 0.0000 64.7354 31.3985 177.0537 48 L 4.4849 7.8101 117.9145 53.8162 41.9793 176.3067 49 V 3.9191 7.1929 120.3976 60.8524 31.8282 173.9687 50 P 4.3580 0.0000 0.0000 62.7165 31.6675 177.4769 51 K 4.2111 8.4964 119.8138 58.7190 32.9079 177.6699 52 E 4.1520 8.0492 118.0018 57.3767 30.0642 176.4788 53 A 3.9854 7.2522 120.9173 52.9972 18.6316 176.8908 54 E 4.7351 8.7205 119.9160 56.2614 32.3087 176.1117 55 I 4.5594 7.5224 117.4274 60.0216 41.5057 173.0319 56 L 5.2475 8.5418 127.8253 53.3153 44.5974 175.2525 57 F 5.2408 9.1586 123.3128 57.0350 42.6480 173.5837 58 T 5.3443 9.1584 119.5912 61.1156 71.6379 171.9313 59 T 5.3956 8.4125 119.1347 61.2389 71.5836 174.3860 60 E 4.2645 8.8995 122.4693 57.2677 30.3960 176.3488 61 T 4.4822 8.5478 115.5048 65.5531 70.6684 176.8660 62 S 4.2485 8.4008 115.4496 61.6062 63.0106 174.7425 63 P 4.4991 0.0000 0.0000 64.1854 30.9995 178.4435 64 I 3.7078 7.9287 120.1517 63.9403 37.0340 176.3947 65 P 4.2718 0.0000 0.0000 65.6137 31.1121 177.9367 66 L 3.6075 7.7442 119.5439 58.3679 41.9259 179.0755 67 T 3.6653 8.0336 115.8984 66.4937 68.1718 176.3138 68 H 3.2333 8.1702 120.5721 58.9422 29.9408 177.4229 69 V 3.5247 7.8213 120.2639 65.9020 31.3345 177.6647 70 L 3.8016 7.7798 119.6775 57.9948 41.9279 178.7164 71 A 3.9125 7.9862 120.9572 55.2864 18.3165 179.2744 72 E 3.9623 8.4274 117.8979 59.2759 29.4239 178.8830 73 A 4.0076 7.8041 120.2517 54.6790 18.5718 178.7307 74 L 4.3466 7.8431 114.6064 54.1458 42.0485 177.3490 75 G 3.8878 7.5997 106.5333 46.3786 0.0000 173.4614 76 L 4.9125 8.1325 118.8155 51.9850 44.8266 174.5361 77 P 4.9239 0.0000 0.0000 62.6037 33.9076 173.5594 78 Y 5.2400 7.7102 116.3354 56.3345 40.8199 173.9690 79 V 3.2717 8.5011 112.2818 59.0317 36.2450 174.9483 80 V 4.8386 6.3024 120.7709 61.1396 34.1244 174.7009 81 A 4.7770 9.1929 130.0657 51.5152 20.5924 176.5070 82 R 4.9556 9.4174 119.9676 54.8592 33.1336 177.2428 83 R 4.7789 9.9396 118.9664 55.1830 30.4354 176.7594 84 R 4.2946 7.2753 111.9520 54.6711 31.5685 174.5856 85 R 2.8659 6.8139 120.1396 56.1897 30.4881 175.9868 86 R 4.5290 7.7637 122.3765 53.1532 33.1490 173.6035 87 P 3.8265 0.0000 0.0000 64.2770 31.5713 176.2587 88 Y 3.7487 8.0964 117.9823 58.7441 35.3171 169.3614 89 M 4.1783 7.5706 120.0146 55.5395 32.9252 175.1452 90 E 4.1579 9.7674 127.3493 57.0052 30.8821 176.8329 91 D 4.5485 8.0475 124.4096 53.7228 38.5651 172.0684 92 P 4.8625 0.0000 0.0000 62.4621 33.2715 177.0881 93 I 4.2082 8.6522 122.8270 60.8241 38.4936 174.8237 94 I 4.5576 8.1709 127.3205 59.4309 39.7304 175.0957 95 Q 4.4502 8.5376 124.6998 54.1393 32.9619 173.8874 96 E 4.6785 8.7740 124.3848 55.4243 30.4158 175.2188 97 V 4.3280 8.5973 125.8515 61.2460 33.1525 177.0305 98 Q 4.2191 8.8827 125.9983 58.6581 29.1906 176.6667 99 T 4.1870 7.4199 111.0454 61.0999 70.2104 175.1970 *105 G 3.9142 8.1470 111.1051 45.1821 0.0000 174.3074 106 E 4.2364 8.4274 121.4736 56.5674 30.5260 175.6943 107 V 4.8057 8.4840 122.6716 61.1389 35.1151 173.8291 108 L 5.1697 9.0803 127.7966 53.1364 44.1709 175.4058 109 W 5.2117 9.6911 122.8856 54.7774 32.5347 174.0568 110 L 5.0283 8.9887 127.3845 52.8767 44.0786 175.3233 111 D 4.6605 9.0500 126.1682 54.3728 42.0454 176.8696 112 R 3.9549 8.8866 125.7485 59.9027 29.7477 179.1938 113 R 3.9328 8.2569 117.0779 59.1139 30.2500 178.7117 114 F 4.7048 7.8775 117.0028 60.3528 39.1236 177.4459 115 A 4.0704 8.2528 120.4662 55.3670 18.0451 179.4438 116 E 4.0917 8.3375 116.4201 58.7980 29.2694 179.2395 117 K 4.0358 7.9566 117.7459 58.3302 32.5500 178.3439 118 L 4.3998 7.7973 118.6180 54.4734 41.7262 176.3536 119 L 4.3455 6.8925 121.2551 56.4688 42.1696 176.1161 120 N 4.3321 9.0907 122.8230 54.3399 36.7629 173.7865 121 Q 4.9880 7.8458 116.2766 54.1873 32.6493 174.9250 122 R 4.7960 9.5003 121.2603 55.4292 31.6348 175.7196 123 V 4.8663 9.4018 125.6430 61.0363 34.5720 174.3583 124 V 4.8195 8.4135 126.4352 61.0725 34.1909 174.2732 125 L 4.8221 8.8079 128.6111 54.1792 43.0547 176.0088 126 V 4.8931 8.7287 123.2735 61.3196 34.4294 174.3626 127 S 4.7678 8.9393 120.9320 57.0279 66.2909 174.2760 128 D 4.6281 8.9406 122.1752 55.7385 40.6181 176.4804 129 V 5.1684 7.8450 117.1904 60.5428 34.8945 174.8113 130 V 4.2752 9.0892 126.5423 61.4376 34.1354 173.6105 131 A 4.8431 8.8554 122.3857 53.0800 20.4031 178.1282 132 S 4.0414 8.8436 114.3818 58.3675 64.6894 177.0757 133 G 4.1065 8.2876 107.8978 45.1492 0.0000 174.7472 134 E 3.9005 8.1810 120.4158 59.6860 29.4033 178.9324 135 T 3.8753 8.0129 115.2584 67.3929 68.4677 176.2793 136 M 3.9842 7.9688 119.4223 58.1106 32.0041 178.9961 137 R 3.8354 7.7711 117.9447 59.0172 30.3089 178.7208 138 A 3.9463 8.3108 121.0065 55.5345 18.3879 179.6155 139 M 3.7382 8.0926 117.2431 58.3477 31.9330 178.5977 140 E 3.8204 8.2193 119.5935 59.1440 29.6739 179.0921 141 K 3.9967 7.9536 118.5024 59.5944 32.0864 179.2052 142 M 4.0694 7.8622 118.5606 58.3928 31.9017 178.9300 143 V 3.7465 7.8562 118.3281 65.9296 31.6141 177.9689 144 L 3.9798 7.8744 118.6240 58.1351 41.3618 179.9207 145 R 3.9831 8.1139 115.9250 58.5120 30.0422 178.0421 146 A 4.4250 7.8484 118.7046 51.7360 19.0503 177.4544 147 G 3.7434 8.5880 106.5825 46.2012 0.0000 173.4986 148 G 4.5735 8.3642 106.4556 44.1948 0.0000 172.8276 149 H 5.0641 8.9245 118.7822 54.1142 32.9179 172.3955 150 V 4.4694 8.3956 125.9593 62.8603 31.7617 175.7925 151 V 4.3610 8.5711 119.8878 60.9986 33.1567 175.4393 152 A 4.4081 7.2186 119.6438 51.2342 22.5767 175.4790 153 R 4.8641 8.2080 118.3650 54.4741 33.7193 174.5065 154 L 5.4316 9.3524 123.8143 53.0285 45.7668 175.6490 155 A 5.6234 8.4324 122.0715 50.8465 22.8565 177.5511 156 V 3.3247 8.6053 119.9950 65.4463 32.7274 175.8089 157 F 5.6351 8.4139 118.8477 55.6471 42.0903 174.4124 158 R 4.9312 9.0794 122.8776 54.8236 32.4337 174.6307 159 Q 4.5237 9.0000 127.7921 54.5664 29.3048 176.5673 160 G 3.9377 9.5038 116.4545 45.0483 0.0000 171.0357 161 T 4.5543 8.1970 112.9122 59.0901 71.0195 172.5724 162 P 5.1463 0.0000 0.0000 61.7135 32.1645 176.4228 163 G 4.0057 8.6076 110.5852 45.3829 0.0000 173.2745 164 L 4.4592 7.5014 119.2727 52.8328 45.2219 175.6278 165 A 4.2067 8.4347 127.3535 51.7559 17.9308 177.1165 166 V 4.5731 7.9519 121.4541 61.8783 34.7108 174.6855 167 D 4.7808 8.9414 128.5269 54.3518 41.8819 175.6378 168 T 5.6422 8.2747 111.8867 59.1710 71.8615 173.5026 169 V 4.1280 8.3017 120.5265 64.4347 32.8629 175.2552 170 A 4.7314 8.0794 120.0536 50.8628 22.9988 174.8066 171 E 5.0091 8.8421 120.0146 54.8808 31.7714 175.3458 172 L 4.6867 8.9702 126.4692 52.2312 42.5445 175.0705 173 P 4.2541 0.0000 0.0000 62.6732 31.8536 176.0670 174 V 4.0604 8.0533 119.4243 61.3619 32.2582 175.6866 175 L 4.1841 8.6225 127.4007 54.8659 41.5827 176.6966 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 E 8.43 4.34 0.00 1.94 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 2.18 2.30 0.00 3 T 7.56 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 1.21 0.00 0.00 4 Y 9.26 4.90 0.00 2.97 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 5 P 0.00 5.09 0.00 1.91 1.97 0.00 2.39 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.68 0.00 6 I 8.60 4.72 1.96 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 1.24 1.29 0.87 0.00 0.00 7 T 8.58 5.32 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 8 V 9.01 4.38 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 0.89 0.00 0.00 1.08 0.00 0.00 9 G 9.98 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 0.00 0.00 0.00 10 G 8.55 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 0.00 0.00 0.00 11 V 7.98 4.07 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 1.27 0.00 0.00 1.03 0.00 0.00 12 T 8.39 5.09 4.18 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 0.00 0.00 0.00 1.06 0.00 0.00 13 R 8.77 4.24 0.00 0.98 1.31 0.00 2.92 0.00 0.00 2.87 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.50 0.00 14 H 8.74 4.92 0.00 2.99 3.22 0.00 5.69 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.52 4.25 2.14 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 0.70 0.00 0.00 0.93 0.00 0.00 16 P 0.00 4.74 0.00 2.05 1.98 0.00 3.49 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 17 L 8.34 5.29 0.00 1.45 1.48 0.90 0.64 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 18 I 8.42 4.55 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 1.31 0.68 0.89 0.00 0.00 19 E 8.32 5.10 0.00 1.90 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 2.26 2.11 0.00 20 P 0.00 4.06 0.00 2.02 2.11 0.00 3.82 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 2.09 0.00 21 L 7.49 4.69 0.00 1.65 1.48 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.32 0.00 2.16 2.09 0.00 3.90 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 23 G 8.31 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 0.00 0.00 0.00 24 R 7.82 4.63 0.00 1.84 1.80 0.00 3.10 0.00 0.00 3.15 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.77 0.00 25 R 8.32 4.85 0.00 1.73 1.75 0.00 3.03 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 26 I 8.46 4.81 1.77 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 1.17 0.70 0.89 0.00 0.00 27 P 0.00 4.54 0.00 1.81 2.07 0.00 3.49 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 1.90 1.68 0.00 28 L 8.46 4.28 0.00 1.59 1.64 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.98 3.78 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 0.10 0.00 0.00 0.93 0.00 0.00 30 E 8.29 4.47 0.00 1.80 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 2.19 2.53 0.00 31 F 8.70 4.85 0.00 3.22 3.06 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 32 L 7.88 4.26 0.00 1.72 1.68 1.02 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 33 G 9.33 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 0.00 0.00 0.00 34 D 7.89 4.87 0.00 2.79 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 35 P 0.00 4.31 0.00 2.24 2.12 0.00 3.71 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 2.15 2.19 0.00 36 E 8.19 3.95 0.00 2.09 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 2.49 2.43 0.00 37 F 8.86 4.55 0.00 3.35 3.29 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 38 T 8.40 3.59 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 1.05 0.00 0.00 39 R 8.33 3.77 0.00 1.98 2.15 0.00 3.12 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 40 A 8.06 3.92 1.40 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 41 A 7.84 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.01 3.69 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 43 E 8.16 3.85 0.00 1.88 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 2.48 2.43 0.00 44 A 7.51 4.07 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 45 L 7.73 4.03 0.00 1.75 1.61 0.75 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 46 R 8.00 3.84 0.00 1.95 2.04 0.00 3.18 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 47 P 0.00 4.39 0.00 2.23 2.14 0.00 3.75 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 2.00 2.01 0.00 48 L 7.81 4.48 0.00 1.69 1.70 0.87 0.71 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 49 V 7.19 3.92 2.16 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 0.74 0.00 0.00 0.93 0.00 0.00 50 P 0.00 4.36 0.00 2.20 1.96 0.00 3.63 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.07 0.00 51 K 8.50 4.21 0.00 1.85 1.93 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.40 7.81 52 E 8.05 4.15 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 53 A 7.25 3.99 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 54 E 8.72 4.74 0.00 1.94 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 2.23 2.46 0.00 55 I 7.52 4.56 1.89 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 1.34 1.20 1.00 0.00 0.00 56 L 8.54 5.25 0.00 1.72 1.56 0.84 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 57 F 9.16 5.24 0.00 3.02 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 58 T 9.16 5.34 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 1.29 0.00 0.00 59 T 8.41 5.40 4.33 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 1.32 0.00 0.00 60 E 8.90 4.26 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.37 0.00 61 T 8.55 4.48 4.30 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 1.27 0.00 0.00 62 S 8.40 4.25 0.00 4.07 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 63 P 0.00 4.50 0.00 2.35 2.14 0.00 3.78 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.59 0.00 64 I 7.93 3.71 2.04 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 1.70 0.72 1.03 0.00 0.00 65 P 0.00 4.27 0.00 2.27 2.33 0.00 3.78 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 2.22 2.10 0.00 66 L 7.74 3.61 0.00 1.27 1.71 0.40 0.61 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 67 T 8.03 3.67 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 68 H 8.17 3.23 0.00 3.15 3.32 0.00 5.79 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.82 3.52 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 0.87 0.00 0.00 0.91 0.00 0.00 70 L 7.78 3.80 0.00 1.66 1.62 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.99 3.91 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 72 E 8.43 3.96 0.00 1.98 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 2.33 0.00 73 A 7.80 4.01 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 74 L 7.84 4.35 0.00 1.62 1.70 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 75 G 7.60 3.89 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 1.59 1.70 0.00 114 F 7.88 4.70 0.00 3.19 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 0.00 115 A 8.25 4.07 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 0.00 116 E 8.34 4.09 0.00 2.06 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 2.34 2.69 0.00 117 K 7.96 4.04 0.00 1.89 1.88 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.74 1.73 7.81 118 L 7.80 4.40 0.00 1.87 1.77 1.04 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 119 L 6.89 4.35 0.00 1.72 1.74 0.99 1.01 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 0.00 120 N 9.09 4.33 0.00 2.92 2.92 0.00 0.00 6.91 8.42 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 0.00 121 Q 7.85 4.99 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.97 6.88 0.00 0.00 0.00 0.00 0.00 2.58 2.65 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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 0.76 0.00 0.00 0.94 0.00 0.00 131 A 8.86 4.84 1.20 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 0.00 0.00 132 S 8.84 4.04 0.00 4.01 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 0.00 133 G 8.29 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 0.00 134 E 8.18 3.90 0.00 1.94 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 2.49 0.00 135 T 8.01 3.88 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 1.23 0.00 0.00 136 M 7.97 3.98 0.00 1.99 2.19 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 2.66 2.57 0.00 137 R 7.77 3.84 0.00 2.04 1.94 0.00 3.30 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 138 A 8.31 3.95 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 0.00 139 M 8.09 3.74 0.00 1.24 1.94 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.33 0.00 140 E 8.22 3.82 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 141 K 7.95 4.00 0.00 2.01 1.82 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.59 7.81 142 M 7.86 4.07 0.00 2.26 2.36 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.58 0.00 143 V 7.86 3.75 2.24 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 1.06 0.00 0.00 1.06 0.00 0.00 144 L 7.87 3.98 0.00 1.92 1.71 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 145 R 8.11 3.98 0.00 1.93 2.01 0.00 3.17 0.00 0.00 3.31 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 146 A 7.85 4.43 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 0.00 147 G 8.59 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.36 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 H 8.92 5.06 0.00 3.22 3.14 0.00 5.78 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 V 8.40 4.47 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 0.79 0.00 0.00 0.86 0.00 0.00 151 V 8.57 4.36 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 0.70 0.00 0.00 0.94 0.00 0.00 152 A 7.22 4.41 1.16 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 0.00 0.00 153 R 8.21 4.86 0.00 1.69 1.77 0.00 3.22 0.00 0.00 3.29 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 154 L 9.35 5.43 0.00 1.45 1.45 0.87 0.55 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 0.00 155 A 8.43 5.62 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 0.00 156 V 8.61 3.32 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 0.12 0.00 0.00 0.71 0.00 0.00 157 F 8.41 5.64 0.00 3.07 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 0.00 158 R 9.08 4.93 0.00 1.91 1.82 0.00 3.05 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.57 0.00 159 Q 9.00 4.52 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.23 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 160 G 9.50 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 0.00 0.00 0.00 161 T 8.20 4.55 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 1.22 0.00 0.00 162 P 0.00 5.15 0.00 2.42 2.04 0.00 3.87 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 163 G 8.61 4.01 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 0.00 164 L 7.50 4.46 0.00 1.56 1.47 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 165 A 8.43 4.21 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 0.00 166 V 7.95 4.57 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 0.86 0.00 0.00 0.91 0.00 0.00 167 D 8.94 4.78 0.00 2.63 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 0.00 168 T 8.27 5.64 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 169 V 8.30 4.13 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 0.71 0.00 0.00 0.81 0.00 0.00 170 A 8.08 4.73 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 0.00 171 E 8.84 5.01 0.00 2.03 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 2.26 2.43 0.00 172 L 8.97 4.69 0.00 1.61 1.52 0.81 0.63 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 0.00 173 P 0.00 4.25 0.00 2.07 2.09 0.00 3.72 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.06 0.00 174 V 8.05 4.06 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 0.81 0.00 0.00 0.90 0.00 0.00 175 L 8.62 4.18 0.00 1.63 1.41 0.17 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.