NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.8420 8.4444 117.8541 55.3682 30.6149 171.9724 6 H 4.7934 8.2064 119.7565 53.6187 33.0241 169.3220 7 H 3.9809 8.9443 127.2370 57.0830 29.2209 175.5474 *12 S 4.3961 8.8143 108.0075 58.5213 65.1716 174.7118 13 S 4.8847 8.5667 115.2100 56.9473 66.2736 172.8856 14 N 4.7602 8.9502 120.0449 51.8645 39.8657 174.1596 15 I 4.6922 8.8876 125.2957 59.2214 40.2889 174.3049 16 L 5.0753 8.8505 129.2738 53.4435 44.2478 174.8116 17 I 4.5794 8.7935 128.0593 59.7033 39.6129 174.7335 18 I 4.3102 8.4540 129.2574 59.6783 38.7820 174.8405 19 N 4.6865 9.1869 128.6712 52.2726 39.2623 174.6807 20 G 3.7856 9.2363 114.0148 46.0267 0.0000 172.5576 21 A 3.8519 7.9160 122.8393 52.1406 18.7185 177.9228 *28 N 4.4763 8.4516 117.1603 53.8461 38.6742 174.3477 29 G 4.2354 8.5162 116.4539 45.4720 0.0000 173.5777 30 Q 4.3292 8.1670 119.2491 57.6556 29.6136 176.9770 31 L 4.0140 7.8849 120.7028 58.5898 42.0812 178.7315 32 N 4.3583 8.1110 115.6798 56.2569 38.5179 177.0923 33 D 4.3788 8.0391 120.0328 57.5222 40.9308 178.7281 34 T 3.8935 8.4420 116.6746 66.7750 68.5345 176.8593 35 L 4.1708 8.3734 121.0695 57.7919 41.5232 179.7401 36 T 3.9341 7.9881 116.1655 66.5775 68.4014 176.2673 37 E 3.9186 8.2283 121.3015 59.1229 29.5665 178.9012 38 V 3.5687 8.1201 118.2612 66.0069 31.5576 177.9134 39 A 3.7032 8.1005 120.3766 54.9751 18.2440 178.7594 40 D 4.3281 8.2468 116.8250 57.7038 41.2720 179.0651 41 G 3.5374 8.1369 105.7922 47.9842 0.0000 175.7074 42 T 3.8203 7.7913 117.4659 66.3970 68.8071 176.4267 43 L 4.0705 8.1302 121.1374 57.9004 41.7272 179.8871 44 R 4.4379 7.9357 119.2587 58.5202 29.7663 177.9505 45 D 4.7063 7.9413 116.0573 54.9401 41.0469 177.2178 46 L 4.5698 7.6812 118.9460 54.1254 42.2584 177.0524 47 G 3.8455 7.8197 107.1927 45.2350 0.0000 173.4840 48 H 4.8693 7.6022 116.6355 54.7793 31.4832 173.2542 49 D 5.1624 8.7353 119.7213 52.8394 42.9161 175.4360 50 V 5.8490 8.4781 118.1855 58.8358 35.3442 175.1644 51 R 4.6637 8.6142 120.9586 54.4427 33.9492 174.2483 52 I 4.9660 8.3268 122.9383 59.6101 39.9259 175.4026 53 V 4.4836 8.6349 119.3099 59.5878 35.5914 174.7606 54 R 4.7275 8.6490 123.9365 55.1288 30.3089 176.4982 55 A 3.9971 8.5296 127.0187 53.8734 18.9767 177.5983 56 D 4.5733 7.5622 115.8732 53.4463 40.6376 174.6723 57 S 4.7673 7.5516 112.5446 56.8988 66.9751 174.5755 58 D 4.3688 8.3027 121.7946 52.9849 39.3382 175.1948 59 Y 4.3321 6.8596 121.5716 56.1845 39.5880 175.3271 60 D 4.8872 8.5462 119.9438 52.9283 42.1974 176.9881 61 V 3.6910 8.4954 121.7966 64.7963 31.7746 178.6946 62 K 4.0206 8.2106 117.2764 59.3360 31.9386 179.1667 63 A 4.0836 8.3592 121.2117 55.1055 18.2597 179.5804 64 E 4.0949 8.5884 117.7071 59.4199 29.4802 179.6228 65 V 3.6075 8.0078 118.4247 66.2620 31.6299 178.1682 66 Q 4.1417 8.1247 117.3311 58.9926 28.4984 178.5667 67 N 4.4900 8.2995 117.7361 56.4671 38.3747 177.4828 68 F 4.0715 8.4869 118.3186 60.4738 39.0637 177.4970 69 L 4.2660 8.0049 118.1042 57.3877 41.4556 178.9872 70 W 4.2537 8.3017 127.6962 59.2257 31.1077 176.7082 71 A 3.8881 7.8303 121.2051 52.3047 18.5323 176.6367 72 D 4.6929 8.8010 121.5273 55.3292 43.0411 176.9500 73 V 4.9180 7.3683 117.0829 61.0133 35.6024 174.1189 74 V 4.5654 8.9956 127.3744 61.0957 34.1909 173.9454 75 I 4.7445 8.9277 129.4218 59.5516 39.5476 174.8501 76 W 4.9433 8.9428 127.5542 55.3342 29.9976 174.3100 77 Q 5.0727 8.9958 127.1055 53.5580 30.0287 172.8416 *79 P 4.8314 0.0000 0.0000 62.5919 32.8715 175.9141 80 G 3.2003 8.4426 109.1771 45.1437 0.0000 173.2670 81 W 4.6340 9.0935 126.3438 55.5837 31.0705 175.1430 82 W 3.4514 8.1496 119.6215 58.5809 28.3789 174.9482 *84 G 3.7842 7.4726 104.4918 45.1076 0.0000 171.6035 85 A 4.3489 8.6413 123.4803 51.2823 19.3752 176.1805 86 P 4.4891 0.0000 0.0000 61.8602 32.0363 177.6585 87 W 4.4894 9.1984 118.7473 60.2308 27.8526 178.6445 88 T 3.3938 6.7369 110.0178 64.2208 68.1667 176.7016 89 V 3.6593 7.4993 121.2515 65.6386 31.5705 178.0020 90 K 3.9232 8.0265 118.9291 59.1737 32.0474 178.5835 91 K 4.1445 8.5533 120.5178 59.3540 32.0664 178.2180 92 Y 4.0951 7.8707 120.9286 60.0748 38.6555 178.1404 93 I 3.1340 7.8543 120.5708 64.4325 36.7446 178.0924 94 D 4.3348 8.2910 120.0099 57.4479 40.6240 178.8244 95 D 4.2278 8.5257 119.6682 57.3789 40.8349 179.0562 96 V 3.4522 7.8405 117.7072 66.0184 31.6087 177.8199 97 F 4.3871 8.3871 116.7273 60.8726 38.9040 177.5110 98 T 4.2395 7.6088 115.1334 65.8204 68.2720 174.7206 99 E 4.2366 7.3518 119.7326 56.7571 30.4050 176.7679 100 G 4.4171 8.7593 110.9622 43.2617 0.0000 172.9513 101 H 3.2759 7.4407 120.0705 57.2068 29.8732 174.7674 102 G 3.9837 8.5996 116.2601 45.5369 0.0000 173.7931 103 T 4.4463 8.6391 108.0287 63.2027 70.5356 176.0187 104 L 4.3957 7.6826 122.0794 56.3439 43.1791 176.0409 105 Y 5.1662 7.5279 114.4758 56.0061 40.6660 175.4202 106 A 4.0315 8.8626 123.3596 53.4880 20.5644 177.3369 107 S 4.9055 7.3323 106.6778 59.1020 66.4752 176.7867 108 D 4.1408 8.3567 119.7597 54.2339 39.7880 176.3898 109 G 4.1417 8.0628 111.3949 47.2600 0.0000 175.1610 110 R 4.0408 7.5141 118.1992 56.5961 30.3059 176.8367 111 T 4.4063 8.1628 108.8015 61.2896 70.5432 173.7997 *118 K 4.0318 7.8442 121.6145 56.0471 32.4312 174.3391 119 Y 4.2987 8.6176 125.0662 59.6496 38.9876 176.4368 120 G 3.5356 8.4562 115.2137 45.2267 0.0000 173.6594 121 S 4.5500 7.4895 113.1280 57.8654 63.3684 175.0392 122 G 4.2078 6.8036 105.4802 45.8714 0.0000 174.3530 123 G 4.6461 7.7168 106.9057 45.7536 0.0000 173.9102 124 L 4.7939 8.8511 118.8586 53.5390 43.7664 177.5991 125 V 4.5264 7.3517 113.1229 60.5105 32.4529 175.7257 126 Q 4.9296 7.4205 117.4226 57.0210 29.2997 176.4524 127 G 4.0059 8.6833 109.5445 45.7493 0.0000 174.6900 128 K 4.3425 7.3039 117.5620 55.8201 33.0921 175.9394 129 K 5.2058 8.7670 120.0546 55.2661 36.8580 174.9096 130 Y 5.6194 8.1811 117.8639 55.4760 41.8214 173.3464 *132 L 4.5685 8.3522 117.1373 55.1485 43.6377 176.1380 133 S 4.9890 9.0435 117.5981 56.7432 64.9948 172.6216 134 L 4.9305 8.9195 127.5553 53.0022 45.6582 175.8952 135 T 4.9711 8.2896 109.9311 60.0682 71.7978 172.7912 136 W 5.1587 9.2619 125.5695 54.7801 33.2321 175.8453 137 N 4.5646 8.9602 119.6241 56.2622 39.5136 175.2278 138 A 4.4912 8.4788 120.4434 50.1056 19.9936 175.5237 139 P 5.8500 0.0000 0.0000 61.8509 30.7028 179.6289 *141 E 4.3964 9.1576 113.5214 56.0407 31.0885 177.5355 142 A 4.2148 7.8358 121.2924 53.9577 18.9509 179.1447 143 F 4.5786 8.4050 114.4198 59.3840 39.7072 177.8304 144 T 4.1762 7.9351 109.8199 63.1763 69.8244 174.4210 145 E 4.3325 8.4286 123.1938 55.6027 29.8587 177.2688 146 K 3.8454 8.9773 126.4967 59.5123 32.2246 177.5074 147 D 4.5586 8.0078 114.9889 54.0922 39.8927 175.6818 148 Q 4.5202 8.0064 120.8102 54.1122 31.2530 175.4412 149 F 4.0639 8.7867 120.1701 62.0999 39.2711 176.5309 150 F 4.6735 7.8908 116.9822 56.8615 38.6420 175.6714 151 H 4.6007 8.6424 116.0379 55.7537 26.6307 175.4717 152 G 4.0410 8.5526 103.0068 46.6004 0.0000 175.9791 153 V 3.6638 7.7951 113.6693 61.9604 31.9793 177.5996 154 G 4.1177 8.1807 105.6588 45.2970 0.0000 174.8448 155 V 2.9756 7.9740 117.2639 66.0347 31.1031 177.8307 156 D 4.6509 8.0014 116.6744 57.0972 40.9592 178.6121 157 G 3.8295 7.8692 107.4752 47.3110 0.0000 175.8900 158 V 3.6473 7.7643 119.5702 64.9095 31.5857 176.6911 159 Y 4.4854 7.6184 114.6673 57.4498 37.9445 176.7879 160 L 4.0958 7.7935 124.6337 58.1816 42.0990 177.5127 161 P 4.2796 0.0000 0.0000 65.8339 30.9918 178.1273 162 F 3.7761 8.2576 119.9188 61.2917 39.4677 176.6467 163 H 4.4422 8.9000 116.3005 59.1639 28.6154 178.0300 164 K 4.1223 8.6610 120.1936 59.1230 31.5749 179.3303 165 A 3.9603 7.5623 120.6515 55.2621 18.4269 179.1386 166 N 4.5382 7.7364 115.1211 56.5929 38.4290 177.8005 167 Q 4.1262 8.2330 119.4439 58.6727 28.5442 178.3060 168 F 3.7916 8.1768 121.1567 60.9850 39.6019 176.5134 169 L 4.3314 7.8202 117.7619 54.6644 43.0066 176.4719 170 G 4.3927 8.3439 109.2534 45.9324 0.0000 171.9707 *172 E 4.6200 7.8688 120.9476 55.8956 31.7106 174.0377 173 P 4.1173 0.0000 0.0000 62.3273 32.6394 175.0985 174 L 4.7612 7.6814 120.4920 51.7944 45.0437 174.7507 175 P 4.1881 0.0000 0.0000 63.7814 31.7129 176.6450 176 T 4.4314 8.3387 119.1696 63.4152 69.6262 173.6418 177 F 4.7934 9.0468 127.0410 56.3985 42.4070 173.8103 178 I 4.5173 6.7510 123.9909 59.1277 41.2095 173.3902 179 A 4.3292 8.5188 130.8341 50.1494 20.9448 175.6209 180 N 5.2574 8.5600 119.0915 51.0446 41.9695 173.6186 181 D 4.8586 8.2534 114.8321 54.3356 39.1620 176.8844 182 V 4.0072 7.7985 112.0990 63.1838 31.9957 177.7113 183 I 4.2193 7.1983 119.7708 62.5981 38.2014 176.3060 184 K 4.2750 7.9398 118.8765 55.9492 31.8944 174.0653 *186 P 4.3748 0.0000 0.0000 62.8328 32.7681 176.0380 187 D 4.4139 7.8352 113.4754 52.0545 42.8893 175.8827 188 V 3.6783 7.5676 123.3658 65.7763 31.9702 175.0196 189 P 4.2623 0.0000 0.0000 65.5765 31.0734 178.3604 190 R 3.8285 7.8745 117.2734 59.5428 29.7629 177.7759 191 Y 4.6574 7.4589 115.8826 61.8581 37.9879 178.8794 192 T 4.0373 8.5289 116.5725 66.8446 68.5527 176.2878 193 E 3.9580 8.1503 120.5511 59.2719 29.6398 178.5596 194 E 4.0327 8.6182 119.0292 59.6413 29.5497 178.7339 195 Y 3.2106 8.4427 119.7516 60.4474 38.6800 178.2035 196 R 3.6966 7.9306 118.8984 59.3813 30.2038 179.3036 197 K 3.9656 8.2764 118.1031 59.2674 32.0958 179.0701 198 H 4.1120 8.2690 119.0625 59.1603 29.7566 177.3829 199 L 4.0786 8.1016 121.2130 57.8502 41.4391 179.5554 200 V 3.5579 7.9635 118.4167 66.0143 31.1598 177.8706 201 E 3.8898 7.8473 117.2659 59.4715 29.4011 179.1858 202 I 3.6398 7.1991 117.8178 63.6743 37.3791 177.6456 203 F 4.8700 8.2863 115.2267 57.1314 39.4031 176.2422 204 G 3.7573 8.1939 113.6001 45.7185 0.0000 173.6850 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 5 H 8.44 4.84 0.00 3.27 3.40 0.00 5.63 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 H 8.21 4.79 0.00 3.19 3.31 0.00 5.71 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 7 H 8.94 3.98 0.00 3.11 2.93 0.00 5.81 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *12 S 8.81 4.40 0.00 4.05 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 13 S 8.57 4.88 0.00 3.51 3.62 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 14 N 8.95 4.76 0.00 1.54 1.42 0.00 0.00 7.11 7.27 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 15 I 8.89 4.69 1.73 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.61 0.70 0.00 0.00 16 L 8.85 5.08 0.00 1.69 1.25 0.56 0.54 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 17 I 8.79 4.58 1.80 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 1.18 0.42 0.87 0.00 0.00 18 I 8.45 4.31 1.29 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.39 0.47 0.00 0.00 19 N 9.19 4.69 0.00 2.71 2.66 0.00 0.00 6.67 7.89 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 20 G 9.24 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.92 3.85 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *28 N 8.45 4.48 0.00 2.75 2.88 0.00 0.00 6.78 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 29 G 8.52 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 0.00 0.00 0.00 0.00 30 Q 8.17 4.33 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 31 L 7.88 4.01 0.00 1.82 1.71 1.10 0.59 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 32 N 8.11 4.36 0.00 2.75 2.81 0.00 0.00 7.12 8.08 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 33 D 8.04 4.38 0.00 2.86 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 34 T 8.44 3.89 4.45 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 1.28 0.00 0.00 35 L 8.37 4.17 0.00 1.66 1.74 0.86 0.86 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 36 T 7.99 3.93 4.44 0.00 0.00 0.00 0.00 0.00 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 37 E 8.23 3.92 0.00 2.07 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 0.00 2.31 2.32 0.00 38 V 8.12 3.57 2.39 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 1.01 0.00 0.00 1.03 0.00 0.00 39 A 8.10 3.70 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 40 D 8.25 4.33 0.00 2.81 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 41 G 8.14 3.54 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 0.00 42 T 7.79 3.82 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 1.12 0.00 0.00 43 L 8.13 4.07 0.00 1.59 1.54 0.53 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.94 4.44 0.00 1.95 1.96 0.00 3.11 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.60 0.00 45 D 7.94 4.71 0.00 2.85 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.68 4.57 0.00 1.71 1.58 0.96 0.90 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 47 G 7.82 3.85 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 0.00 0.00 0.00 48 H 7.60 4.87 0.00 3.09 3.27 0.00 5.58 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.74 5.16 0.00 2.85 2.80 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 50 V 8.48 5.85 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 0.90 0.00 0.00 0.96 0.00 0.00 51 R 8.61 4.66 0.00 1.60 1.58 0.00 2.21 0.00 0.00 2.79 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.81 0.00 52 I 8.33 4.97 1.84 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 1.31 0.84 0.87 0.00 0.00 53 V 8.63 4.48 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 0.77 0.00 0.00 0.81 0.00 0.00 54 R 8.65 4.73 0.00 1.72 1.87 0.00 3.21 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 55 A 8.53 4.00 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 56 D 7.56 4.57 0.00 2.45 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.55 4.77 0.00 4.02 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 58 D 8.30 4.37 0.00 2.62 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 59 Y 6.86 4.33 0.00 3.28 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1.44 0.49 0.00 3.37 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 1.33 0.89 0.00 87 W 9.20 4.49 0.00 3.68 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 88 T 6.74 3.39 3.86 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 -0.15 0.00 0.00 89 V 7.50 3.66 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 1.15 0.00 0.00 0.85 0.00 0.00 90 K 8.03 3.92 0.00 1.97 2.03 0.00 1.50 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.54 1.57 7.81 91 K 8.55 4.14 0.00 2.31 2.19 0.00 2.16 0.00 0.00 1.91 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.85 1.64 7.81 92 Y 7.87 4.10 0.00 3.18 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 I 7.85 3.13 1.62 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.30 0.03 0.00 0.00 94 D 8.29 4.33 0.00 2.80 2.73 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 144 T 7.94 4.18 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 1.26 0.00 0.00 145 E 8.43 4.33 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 146 K 8.98 3.85 0.00 1.80 1.83 0.00 1.71 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.47 7.81 147 D 8.01 4.56 0.00 2.81 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 0.00 148 Q 8.01 4.52 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.69 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 149 F 8.79 4.06 0.00 2.55 2.39 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 0.00 150 F 7.89 4.67 0.00 3.15 2.94 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 0.00 151 H 8.64 4.60 0.00 3.22 3.39 0.00 5.94 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 G 8.55 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 0.00 0.00 0.00 153 V 7.80 3.66 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 0.91 0.00 0.00 1.04 0.00 0.00 154 G 8.18 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 0.00 155 V 7.97 2.98 1.69 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 0.55 0.00 0.00 -0.28 0.00 0.00 156 D 8.00 4.65 0.00 2.67 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 G 7.87 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 0.00 158 V 7.76 3.65 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 0.56 0.00 0.00 0.25 0.00 0.00 159 Y 7.62 4.49 0.00 3.22 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 0.00 160 L 7.79 4.10 0.00 1.91 1.80 0.99 1.01 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 0.00 161 P 0.00 4.28 0.00 2.32 2.32 0.00 3.72 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 2.13 2.05 0.00 162 F 8.26 3.78 0.00 3.23 3.31 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 0.00 163 H 8.90 4.44 0.00 3.63 3.60 0.00 5.87 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 0.00 164 K 8.66 4.12 0.00 2.00 1.96 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.76 1.70 7.81 165 A 7.56 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 N 7.74 4.54 0.00 2.01 2.06 0.00 0.00 7.07 7.21 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 0.00 167 Q 8.23 4.13 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.77 0.00 0.00 0.00 0.00 0.00 2.63 2.78 0.00 168 F 8.18 3.79 0.00 3.04 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 L 7.82 4.33 0.00 1.85 1.66 0.78 0.07 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 0.00 170 G 8.34 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 0.00 0.00 0.00 0.00 *172 E 7.87 4.62 0.00 2.03 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 2.32 2.44 0.00 173 P 0.00 4.12 0.00 1.91 1.92 0.00 3.75 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 1.93 2.03 0.00 174 L 7.68 4.76 0.00 1.45 1.43 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 175 P 0.00 4.19 0.00 1.99 2.01 0.00 3.52 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 1.93 2.06 0.00 176 T 8.34 4.43 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 1.05 0.00 0.00 177 F 9.05 4.79 0.00 2.59 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 0.00 178 I 6.75 4.52 1.39 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.79 0.50 0.00 0.00 179 A 8.52 4.33 0.35 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 0.00 180 N 8.56 5.26 0.00 2.59 2.93 0.00 0.00 7.26 8.06 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 0.00 181 D 8.25 4.86 0.00 3.04 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 0.00 182 V 7.80 4.01 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 0.70 0.00 0.00 0.97 0.00 0.00 183 I 7.20 4.22 1.88 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 1.20 0.57 0.91 0.00 0.00 184 K 7.94 4.27 0.00 1.74 1.82 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.43 7.81 *186 P 0.00 4.37 0.00 2.30 2.34 0.00 3.89 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 1.91 2.00 0.00 187 D 7.84 4.41 0.00 2.47 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 0.00 0.00 0.00 0.00 188 V 7.57 3.68 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 1.03 0.00 0.00 1.02 0.00 0.00 189 P 0.00 4.26 0.00 2.25 2.06 0.00 3.71 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 2.07 2.13 0.00 190 R 7.87 3.83 0.00 1.95 1.70 0.00 3.16 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.68 0.00 191 Y 7.46 4.66 0.00 3.27 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 T 8.53 4.04 4.36 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 1.26 0.00 0.00 193 E 8.15 3.96 0.00 2.14 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 2.32 2.42 0.00 194 E 8.62 4.03 0.00 2.50 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.63 0.00 195 Y 8.44 3.21 0.00 2.40 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 0.00 196 R 7.93 3.70 0.00 2.06 1.90 0.00 3.17 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 1.56 1.88 0.00 197 K 8.28 3.97 0.00 1.78 1.86 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.60 7.81 198 H 8.27 4.11 0.00 3.33 3.39 0.00 5.59 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 0.00 199 L 8.10 4.08 0.00 1.68 1.70 0.24 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 200 V 7.96 3.56 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 1.01 0.00 0.00 0.95 0.00 0.00 201 E 7.85 3.89 0.00 2.23 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 2.31 2.46 0.00 202 I 7.20 3.64 1.11 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.38 -0.06 0.00 0.00 203 F 8.29 4.87 0.00 3.08 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 0.00 204 G 8.19 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 * Residues marked with a * may have inaccurate shift predictions.