NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6110 8.4201 117.7902 51.8739 39.9080 175.2016 0 A 4.4080 7.6856 127.7228 47.7819 18.3397 172.5318 2 P 4.7624 0.0000 0.0000 60.7537 34.2796 173.3304 3 P 4.3616 0.0000 0.0000 62.5902 32.2709 177.1059 4 I 3.6854 8.7125 123.2289 64.7106 37.0751 178.3055 5 I 3.8378 7.6946 111.0532 62.8118 37.5125 176.5723 6 K 4.2669 7.8347 119.3998 56.9485 32.5362 177.1496 7 R 4.2182 7.5669 118.0952 54.8131 30.8206 176.2484 8 R 3.7642 8.4477 119.6584 56.8590 30.1757 176.7238 9 V 3.6491 8.0270 124.4852 62.8088 32.5487 174.4511 *11 R 4.1824 8.0500 120.8858 56.2008 31.9263 174.6144 12 K 5.0038 8.3094 118.4711 55.0228 35.3272 175.5956 13 I 4.4308 8.1391 122.8952 59.4792 40.4157 174.4908 14 I 4.6394 7.9966 128.1559 59.8193 39.1647 174.6068 15 I 4.6817 8.6449 128.4489 59.0584 38.9077 176.4007 16 A 4.8703 8.7350 132.3626 49.6466 15.3837 176.6442 17 S 4.5796 7.8926 113.9312 57.6272 66.9022 177.5249 18 Q 4.3894 8.9262 123.1380 56.0018 29.6948 175.9834 19 N 4.4391 8.2617 118.6203 52.8829 39.6880 173.3730 20 P 4.2682 0.0000 0.0000 65.7574 31.4672 178.4221 21 A 4.0060 8.6125 119.8227 54.9561 18.2413 179.9390 22 K 4.0137 8.0086 116.6772 59.5205 32.2499 179.4667 23 V 3.6296 7.7270 118.4270 66.2955 31.3687 177.8696 24 N 4.2877 8.5461 116.2121 56.1124 38.3275 177.3356 25 A 3.9992 8.0817 122.3504 55.0216 18.5001 179.8707 26 V 3.6174 7.9164 116.7539 66.1614 31.6930 178.0657 27 R 2.5100 7.9607 118.8090 59.0101 29.8225 178.2870 28 S 4.0364 8.2400 112.8496 61.2497 62.3816 176.0385 29 A 3.8992 8.0855 123.3174 55.2883 18.1055 179.6974 30 F 3.9451 8.4654 116.3271 60.8734 38.8416 178.2251 31 S 4.4004 8.3174 113.5351 61.5342 62.5814 176.7719 32 T 4.1072 7.6475 117.9159 66.6467 68.5238 176.9576 33 V 3.5494 7.5251 118.4300 64.2534 33.0794 176.0689 34 F 5.2709 8.3385 116.6579 55.4343 39.0764 173.9479 35 P 4.6276 0.0000 0.0000 65.0184 31.9615 177.7033 36 D 4.7831 8.1798 116.9457 54.1567 41.3378 175.8398 37 Q 4.5663 7.9384 118.1104 53.8391 31.6334 174.7757 38 E 4.7950 7.8275 119.0205 54.4181 33.0264 175.0465 39 W 5.1467 8.5140 120.1631 55.0247 33.8105 173.7005 40 E 4.6165 8.7281 122.2683 54.8435 31.0270 174.4318 41 F 5.0257 8.9209 125.3799 55.9111 40.9839 175.1259 42 I 4.5660 8.9072 124.7959 59.4186 40.5317 175.0274 43 G 4.3522 8.6977 113.9707 44.8842 0.0000 173.0758 44 V 4.6771 8.6137 114.6378 59.5069 36.7587 174.6332 45 S 4.8988 8.6142 118.2481 57.2259 63.9611 174.3109 46 V 4.5786 8.1704 117.2244 58.8171 35.6135 173.2417 47 P 4.5313 0.0000 0.0000 62.6340 31.9672 176.8345 48 S 4.2219 8.6309 114.7918 59.1784 63.5469 174.4039 49 E 3.8164 8.3719 117.9698 57.0650 26.7519 173.6461 50 V 4.5051 7.3970 110.6126 58.9785 35.5269 175.1390 51 A 4.1643 8.5433 123.3194 52.6190 18.5793 177.6495 52 D 4.4336 8.8189 120.7437 56.8487 40.9879 176.4483 53 Q 4.4683 7.6217 119.7364 53.2184 29.9433 173.6796 54 P 5.0453 0.0000 0.0000 61.5545 33.1334 174.9000 *56 S 4.6680 8.4259 113.4663 58.6818 64.3498 174.5361 57 D 4.7318 10.1345 120.8405 57.7984 40.8884 178.3690 58 E 3.8704 8.2431 119.1120 59.4114 29.5488 178.2961 59 E 3.9601 8.3930 119.2882 59.3880 29.7936 178.7774 60 T 4.0127 8.2663 115.9743 66.6096 68.5457 176.4482 61 K 3.5339 8.1765 121.4335 59.3463 32.0280 178.5607 62 Q 3.9426 8.2005 120.0485 58.9805 28.9319 178.3067 63 G 3.8944 8.6134 108.1106 47.2827 0.0000 175.5035 64 A 4.0776 7.9464 123.1744 54.6658 18.3298 179.7004 65 L 3.9304 8.1332 117.7532 58.0561 41.6190 179.5513 66 N 4.3223 8.5671 116.8090 56.3101 38.3837 177.6501 67 R 3.9452 8.1457 119.5135 59.2461 30.0885 179.3486 68 V 3.6297 7.8165 117.9506 65.9149 31.5921 177.8756 69 R 3.7923 8.1349 118.6253 59.7247 29.8628 178.2480 70 N 4.3227 8.5547 116.2706 56.1292 38.4450 177.2834 71 A 4.1171 8.3213 122.4545 55.2535 18.3076 179.8366 72 K 3.2002 7.7998 116.0114 59.3412 32.0548 179.0998 73 Q 4.0235 7.7060 119.0322 58.8872 29.1002 177.6790 74 R 4.2426 8.0196 117.5169 57.1876 31.7987 176.4666 75 H 4.9864 8.1821 114.6324 53.6147 29.3070 171.1239 76 P 4.4990 0.0000 0.0000 63.3383 32.2999 176.8352 77 G 4.0137 8.9885 106.4230 45.7965 0.0000 174.3470 78 A 4.2760 7.8988 122.1568 51.3128 19.4046 176.9283 79 E 4.0641 8.7194 121.0030 58.6721 30.8447 176.2716 80 Y 4.9885 7.3554 114.8550 56.2619 42.7997 174.0094 81 Y 5.0162 9.3093 119.5618 56.2086 41.9417 174.7902 82 V 4.9863 9.0881 123.3057 61.0657 34.8513 174.2780 83 G 4.5697 9.1537 114.9257 44.4904 0.0000 172.6538 84 L 4.9967 8.4478 122.7346 53.0569 45.3870 175.3651 85 E 4.7049 9.2338 124.9160 54.2377 32.7167 174.5821 86 A 4.5622 8.8969 128.9138 52.1210 19.7835 176.1237 87 G 4.6022 8.5299 106.7232 45.4470 0.0000 171.5052 88 I 4.7183 8.1208 119.5510 59.4070 41.2058 175.3720 89 E 4.7850 9.3899 125.6983 55.2475 33.4090 174.8594 90 E 3.6111 9.1615 125.0566 57.7890 30.7537 174.9500 91 N 4.8759 9.1129 111.0292 52.1953 37.5782 173.9030 92 K 5.0178 8.2174 118.3720 55.3580 35.4477 175.0838 93 T 4.8162 8.4948 117.6575 59.5870 71.0077 172.4666 94 F 4.9662 7.3274 118.8225 56.7768 40.9962 171.8842 95 A 5.1337 8.6919 119.4261 50.5490 22.8735 176.3394 96 W 4.6352 8.9087 120.9512 55.3766 32.6431 174.8348 *98 I 4.4954 8.0169 119.5487 61.8293 38.4338 175.1379 99 V 4.9522 9.2399 126.7198 61.1833 34.3829 173.9162 100 E 5.5153 9.6119 127.6576 54.9798 32.8651 176.4643 101 S 4.6553 9.1114 118.9587 56.4071 65.6493 173.2328 102 D 4.4724 8.6789 118.3001 56.2363 39.2345 176.7534 103 Q 4.6180 7.8305 115.5443 55.4609 30.5813 175.0203 104 Q 4.6442 7.8172 118.0896 54.3902 32.2635 172.5618 105 R 5.2362 8.5951 122.9191 54.6210 32.7640 174.5628 106 G 4.7541 9.6814 113.3734 44.1920 0.0000 171.9940 107 E 5.3122 8.4816 119.6130 55.2649 33.8714 174.5590 108 S 4.5722 8.7170 115.1445 57.3559 65.5160 173.3131 109 R 4.0253 7.5913 127.0346 54.0988 30.9978 175.9550 110 S 4.4006 8.6469 121.4365 57.7613 64.0855 173.7643 111 A 4.2342 8.4859 122.3912 52.3505 18.6832 176.8144 112 C 4.8777 8.5673 115.6143 56.8155 31.7835 173.6080 113 L 4.7644 8.4569 122.6910 54.9038 45.1563 175.2489 *115 L 4.4854 8.4712 116.8354 53.6254 43.2803 175.3947 116 P 4.4505 0.0000 0.0000 61.9362 32.2750 175.7297 117 P 4.2525 0.0000 0.0000 65.9151 31.2115 178.7040 118 L 3.8940 7.8734 118.3824 58.0587 42.0253 179.0311 119 V 3.5161 7.6529 117.5726 65.9743 31.3439 177.7727 120 L 3.9570 7.4943 116.8107 57.7061 41.5540 178.7660 121 E 4.0670 8.1909 118.1510 59.6435 29.7109 178.9712 122 R 4.0193 8.2223 116.6867 57.9053 30.4221 177.6947 123 L 3.8472 7.1615 118.5222 54.8060 42.2091 176.2378 *128 E 4.0525 8.5733 122.5795 55.6306 30.4881 176.1069 129 L 3.9766 8.7791 128.2455 58.1445 42.5959 178.3890 130 G 3.7626 8.1737 106.5623 48.7676 0.0000 174.1673 131 D 4.4904 8.3017 120.5727 57.1817 41.0043 179.7105 132 V 3.8535 7.5197 116.5801 63.4791 31.0889 177.4154 *134 D 4.6072 8.2905 119.0053 54.0422 42.6341 177.5985 135 E 3.9078 8.4602 117.3278 59.5804 29.6354 178.9733 136 V 3.5426 7.8931 117.0185 65.0125 31.6261 176.6938 137 F 4.6371 7.7420 115.9731 56.9282 40.4037 176.5755 138 G 4.0969 8.4089 109.5948 45.5808 0.0000 174.5451 139 T 4.0342 8.9081 120.8565 66.9831 68.5080 176.6808 140 E 4.0077 8.1093 119.8390 59.0719 29.5910 178.4816 141 N 4.2360 8.1758 116.6981 56.8708 38.9539 176.4628 142 I 3.6333 7.9169 121.0308 64.4890 36.8247 178.4468 143 K 3.9028 7.8540 118.5357 59.8326 31.7238 179.5388 144 Q 4.0751 8.3455 117.0679 58.0509 29.0025 177.7558 145 K 4.3696 8.1100 117.8947 55.7331 32.0657 177.7684 146 G 3.7104 7.0825 107.0535 45.8719 0.0000 172.7710 147 G 3.6006 8.0988 105.5385 43.6969 0.0000 175.3235 148 A 3.6542 8.6559 119.4465 55.1450 18.1506 179.8458 149 I 3.5997 7.6088 117.7862 64.4567 37.2372 178.4641 150 G 4.0318 7.9222 107.3376 46.6217 0.0000 175.2223 151 L 3.7859 7.9003 122.8566 57.9011 41.9757 179.0883 152 L 4.0059 8.1442 117.5742 56.5913 41.7323 177.9286 153 T 4.4124 7.5908 107.9340 60.4326 69.1488 174.5090 154 R 3.4507 8.1835 119.1277 58.1686 27.9341 176.3472 155 H 4.0059 8.6330 113.5330 57.0339 29.4623 174.8890 156 H 4.4113 7.9512 115.9611 58.2684 29.0268 175.3993 157 L 4.9230 8.1496 118.0710 52.5105 45.3923 175.2005 158 T 4.8961 8.0938 109.7667 58.8904 73.2174 174.8272 159 R 3.6061 8.3751 121.0769 59.7750 29.8303 178.4628 160 S 4.0427 7.8273 113.4254 61.6869 62.8707 176.2945 161 T 4.0487 7.6818 113.0959 63.8403 68.2866 177.1949 162 V 3.6945 7.8389 121.3975 66.3239 31.6039 177.6754 163 Y 4.3067 8.4659 116.9647 61.1870 37.6473 177.6655 164 H 4.1340 8.4252 119.3279 59.5921 29.9264 177.2685 165 Q 3.8981 7.8111 117.9248 58.9841 28.5546 178.7121 166 A 3.9732 7.7445 121.2321 54.9255 18.1283 179.6921 167 L 3.8938 8.1047 117.2798 57.8882 42.0081 179.3508 168 I 3.6305 7.5007 119.6649 64.4664 37.1078 178.3790 169 L 3.9144 7.8730 119.3593 57.8204 41.4419 179.4711 170 A 4.1383 8.1916 120.1514 54.2853 18.3065 178.6458 171 L 4.5620 7.7283 116.3394 55.1986 41.9420 178.4943 172 I 3.5362 7.2902 121.4957 64.2888 36.9005 176.2717 173 P 3.3978 0.0000 0.0000 64.7573 31.0272 177.9653 174 F 4.7509 7.4764 114.9485 59.5588 39.4213 177.6567 175 I 4.2164 8.0650 119.2152 63.1771 38.3031 176.2194 176 N 5.5602 8.4761 115.1402 49.9008 38.8911 173.4032 177 P 4.4590 0.0000 0.0000 65.9922 32.0445 179.2745 178 E 4.0342 8.2739 117.7977 58.9424 29.5319 177.9064 179 H 4.5630 8.2325 114.4211 56.6108 29.5229 175.1770 180 Y 4.5815 7.3287 116.2960 54.7511 37.8723 172.7412 181 P 4.3839 0.0000 0.0000 62.5437 32.5442 176.9499 182 S 4.3763 8.5840 115.9303 58.4586 63.0576 173.7987 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 N 8.42 4.61 0.00 2.76 2.80 0.00 0.00 6.54 6.57 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 A 7.69 4.41 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 2 P 0.00 4.76 0.00 2.18 2.05 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 3 P 0.00 4.36 0.00 2.19 2.01 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 4 I 8.71 3.69 1.87 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 1.47 0.67 0.90 0.00 0.00 5 I 7.69 3.84 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 1.41 0.52 0.90 0.00 0.00 6 K 7.83 4.27 0.00 1.91 1.89 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.39 7.81 7 R 7.57 4.22 0.00 1.89 1.85 0.00 3.19 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 8 R 8.45 3.76 0.00 1.72 1.84 0.00 3.23 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 9 V 8.03 3.65 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 0.81 0.00 0.00 0.90 0.00 0.00 *11 R 8.05 4.18 0.00 1.80 1.98 0.00 3.30 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 12 K 8.31 5.00 0.00 1.58 1.54 0.00 1.55 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.39 7.81 13 I 8.14 4.43 0.86 0.00 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 -0.11 0.40 0.00 0.00 14 I 8.00 4.64 1.06 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 0.81 0.66 0.95 0.00 0.00 15 I 8.64 4.68 1.90 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.87 0.96 0.00 0.00 16 A 8.74 4.87 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 17 S 7.89 4.58 0.00 4.04 3.69 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 18 Q 8.93 4.39 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 19 N 8.26 4.44 0.00 2.79 2.75 0.00 0.00 7.09 7.28 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 20 P 0.00 4.27 0.00 2.20 2.10 0.00 3.66 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 2.12 2.17 0.00 21 A 8.61 4.01 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.01 4.01 0.00 1.99 1.93 0.00 1.74 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.67 1.58 7.81 23 V 7.73 3.63 2.22 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 1.12 0.00 0.00 0.96 0.00 0.00 24 N 8.55 4.29 0.00 2.88 2.82 0.00 0.00 6.96 7.79 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 25 A 8.08 4.00 1.48 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 0.00 0.00 26 V 7.92 3.62 2.28 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 1.21 0.00 0.00 1.07 0.00 0.00 27 R 7.96 2.51 0.00 1.21 1.71 0.00 3.07 0.00 0.00 2.91 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.80 0.00 28 S 8.24 4.04 0.00 3.86 3.84 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 29 A 8.09 3.90 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 F 8.47 3.95 0.00 3.54 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 31 S 8.32 4.40 0.00 3.95 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 32 T 7.65 4.11 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 33 V 7.53 3.55 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 0.66 0.00 0.00 34 F 8.34 5.27 0.00 3.71 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 35 P 0.00 4.63 0.00 2.24 2.25 0.00 3.92 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 36 D 8.18 4.78 0.00 2.75 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 37 Q 7.94 4.57 0.00 1.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.63 0.00 0.00 0.00 0.00 0.00 2.13 2.29 0.00 38 E 7.83 4.79 0.00 1.74 1.77 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 2.22 2.23 0.00 39 W 8.51 5.15 0.00 2.42 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.73 4.62 0.00 2.04 1.74 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 2.20 2.29 0.00 41 F 8.92 5.03 0.00 2.93 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 42 I 8.91 4.57 1.80 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.77 0.88 0.00 0.00 43 G 8.70 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.61 4.68 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 0.62 0.00 0.00 0.98 0.00 0.00 45 S 8.61 4.90 0.00 3.76 3.82 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 46 V 8.17 4.58 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 0.86 0.00 0.00 1.03 0.00 0.00 47 P 0.00 4.53 0.00 2.19 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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 57 D 10.13 4.73 0.00 2.77 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 58 E 8.24 3.87 0.00 2.09 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 2.35 2.33 0.00 59 E 8.39 3.96 0.00 2.13 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 0.00 2.34 2.37 0.00 60 T 8.27 4.01 4.94 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 1.56 0.00 0.00 61 K 8.18 3.53 0.00 0.79 1.30 0.00 0.61 0.00 0.00 0.99 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.75 0.21 7.81 62 Q 8.20 3.94 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 63 G 8.61 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 64 A 7.95 4.08 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 0.00 0.00 0.00 0.00 0.00 65 L 8.13 3.93 0.00 1.78 1.69 0.76 0.86 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 66 N 8.57 4.32 0.00 2.93 2.85 0.00 0.00 7.06 7.22 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 67 R 8.15 3.95 0.00 2.06 2.03 0.00 3.17 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 68 V 7.82 3.63 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 1.23 0.00 0.00 1.08 0.00 0.00 69 R 8.13 3.79 0.00 1.94 2.04 0.00 3.12 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 70 N 8.55 4.32 0.00 3.00 2.86 0.00 0.00 6.97 6.71 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 71 A 8.32 4.12 1.60 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 0.00 0.00 72 K 7.80 3.20 0.00 1.63 1.53 0.00 1.48 0.00 0.00 1.36 0.00 0.00 2.73 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.30 0.64 7.81 73 Q 7.71 4.02 0.00 1.99 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 108 S 8.72 4.57 0.00 3.81 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 0.00 109 R 7.59 4.03 0.00 0.67 0.86 0.00 2.21 0.00 0.00 2.45 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.50 0.00 110 S 8.65 4.40 0.00 3.92 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.49 4.23 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 0.00 112 C 8.57 4.88 0.00 3.30 3.03 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 0.00 113 L 8.46 4.76 0.00 1.79 1.43 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 *115 L 8.47 4.49 0.00 1.63 1.67 0.92 1.01 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 0.00 116 P 0.00 4.45 0.00 2.16 2.01 0.00 3.74 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 129 L 8.78 3.98 0.00 1.71 1.69 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 130 G 8.17 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 D 8.30 4.49 0.00 2.90 2.74 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 0.00 132 V 7.52 3.85 2.23 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 1.01 0.00 0.00 0.96 0.00 0.00 *134 D 8.29 4.61 0.00 2.98 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 0.00 135 E 8.46 3.91 0.00 2.06 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 2.33 2.46 0.00 136 V 7.89 3.54 1.63 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 -0.08 0.00 0.00 0.76 0.00 0.00 137 F 7.74 4.64 0.00 3.10 3.03 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 0.00 138 G 8.41 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 T 8.91 4.03 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 1.27 0.00 0.00 140 E 8.11 4.01 0.00 1.98 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 2.40 2.31 0.00 141 N 8.18 4.24 0.00 2.84 3.01 0.00 0.00 7.20 7.98 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 0.00 142 I 7.92 3.63 2.03 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 1.79 0.81 0.90 0.00 0.00 143 K 7.85 3.90 0.00 1.99 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.58 7.81 144 Q 8.35 4.08 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 145 K 8.11 4.37 0.00 1.69 1.65 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.50 7.81 146 G 7.08 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 0.00 0.00 0.00 147 G 8.10 3.60 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 0.00 0.00 0.00 148 A 8.66 3.65 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 0.00 149 I 7.61 3.60 1.83 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 1.52 0.52 0.88 0.00 0.00 150 G 7.92 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 L 7.90 3.79 0.00 1.60 1.50 0.83 0.04 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 0.00 152 L 8.14 4.01 0.00 1.51 1.63 0.82 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 153 T 7.59 4.41 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 1.23 0.00 0.00 154 R 8.18 3.45 0.00 1.92 1.99 0.00 3.29 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 155 H 8.63 4.01 0.00 3.17 3.26 0.00 5.76 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 H 7.95 4.41 0.00 3.31 3.32 0.00 5.65 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 8.15 4.92 0.00 1.64 1.48 0.91 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 158 T 8.09 4.90 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 159 R 8.38 3.61 0.00 1.62 1.66 0.00 2.88 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.78 0.00 160 S 7.83 4.04 0.00 4.03 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 0.00 161 T 7.68 4.05 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 1.18 0.00 0.00 162 V 7.84 3.69 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 1.13 0.00 0.00 0.98 0.00 0.00 163 Y 8.47 4.31 0.00 3.01 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 0.00 164 H 8.43 4.13 0.00 3.41 3.51 0.00 5.78 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 0.00 165 Q 7.81 3.90 0.00 2.32 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 166 A 7.74 3.97 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 0.00 167 L 8.10 3.89 0.00 1.68 1.68 1.01 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 168 I 7.50 3.63 1.84 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.74 0.76 0.00 0.00 169 L 7.87 3.91 0.00 1.78 1.67 0.86 0.77 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 0.00 170 A 8.19 4.14 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 0.00 171 L 7.73 4.56 0.00 1.69 1.61 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 172 I 7.29 3.54 1.72 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.88 0.51 0.00 0.00 173 P 0.00 3.40 0.00 0.91 1.59 0.00 3.28 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.43 0.00 174 F 7.48 4.75 0.00 3.34 3.28 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 0.00 175 I 8.06 4.22 2.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.64 0.92 0.00 0.00 176 N 8.48 5.56 0.00 3.08 2.98 0.00 0.00 6.45 7.32 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 0.00 177 P 0.00 4.46 0.00 2.30 2.45 0.00 3.89 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 178 E 8.27 4.03 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 2.38 2.40 0.00 179 H 8.23 4.56 0.00 3.28 2.95 0.00 5.60 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 Y 7.33 4.58 0.00 2.81 2.92 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 0.00 181 P 0.00 4.38 0.00 2.04 2.00 0.00 3.58 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 2.00 2.07 0.00 182 S 8.58 4.38 0.00 4.15 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 * Residues marked with a * may have inaccurate shift predictions.