NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5553 8.2993 120.0948 56.0776 34.5645 175.4457 3 T 4.8446 8.0213 108.4171 58.8594 72.2127 172.4561 4 F 4.8029 10.2432 127.6922 56.8037 42.2172 175.2088 5 I 4.8048 8.0174 127.4744 59.8968 39.1130 174.5974 6 I 4.9872 9.3046 128.6730 59.4664 39.9656 174.7723 7 G 3.8501 9.4557 114.9099 44.5149 0.0000 172.7382 8 I 5.1601 8.6741 124.3567 59.8144 40.7196 174.0775 9 S 5.5865 9.4720 122.1612 55.1234 66.2260 172.5111 10 G 3.8148 8.5846 107.6132 42.4987 0.0000 172.7801 11 V 3.6690 7.5328 119.9750 61.2314 31.6834 175.5423 12 T 3.8402 8.2635 115.1878 63.7549 67.4805 173.3216 13 N 4.3609 8.9093 124.0250 54.4032 35.9025 175.5236 14 S 4.2223 7.7337 114.6267 59.2769 63.7235 174.8341 15 G 4.2374 8.3807 110.7862 45.7939 0.0000 175.9365 16 K 3.9028 8.4371 120.4925 59.6986 32.2240 179.0853 17 T 3.9020 7.9699 115.3855 67.2364 68.4529 176.6116 18 T 3.9147 7.8006 117.0205 66.3359 68.5363 176.5401 19 L 3.9989 8.0012 122.2215 57.9021 42.0868 178.8151 20 A 4.0318 8.1544 120.8593 55.1447 18.3273 179.8382 21 K 3.9261 8.0080 116.8191 59.4259 31.8722 179.3113 22 N 3.9578 7.6967 115.5193 56.1999 38.7849 176.8431 23 L 4.4553 7.8529 120.1758 58.2980 41.9961 179.3472 24 Q 4.0332 8.2509 119.1597 59.4975 28.6350 178.8938 25 K 4.0958 7.7991 118.3659 58.5618 32.0360 177.5303 26 H 4.8939 7.7296 113.4931 55.1320 29.2960 173.4274 27 L 4.9328 7.4633 119.4731 52.0969 43.4644 174.7100 28 P 4.3848 0.0000 0.0000 63.6130 32.9066 175.5334 29 N 4.1715 8.7673 117.5080 55.4074 37.0788 172.8551 30 C 5.4895 7.9176 116.6125 57.9259 34.5675 173.8376 31 S 5.0317 9.6460 121.8083 56.7754 66.3789 173.0914 32 V 4.8459 8.2186 120.3052 61.3278 34.2936 174.5329 33 I 4.7063 8.8221 128.1748 59.5948 40.6234 174.4762 34 S 5.4686 8.5209 121.5198 55.8365 65.0016 175.2338 35 Q 4.1668 9.2051 126.0897 58.8778 29.0965 177.9418 36 D 4.6461 8.1662 116.5466 57.1045 41.0355 176.7196 37 D 4.5269 7.9523 116.6428 55.3223 41.0423 176.6420 38 F 4.7401 7.8893 118.0557 57.0304 39.4379 175.0522 39 F 4.9295 8.1846 119.5423 57.3355 39.3590 175.6760 40 K 4.4983 8.9611 122.4165 55.4177 32.8460 175.3527 41 P 4.3897 0.0000 0.0000 63.0112 32.1499 176.5811 42 E 3.9746 9.2925 122.3497 59.9887 29.2108 179.5699 43 S 4.2796 8.1157 111.4916 60.5388 63.1544 174.9747 44 E 4.3821 8.6497 121.4799 55.9844 30.1409 176.0437 45 I 4.1063 6.8857 120.0165 60.7907 38.1662 175.0931 46 E 4.9157 8.5687 123.3004 54.7837 33.2235 174.7250 47 T 5.6114 8.5094 110.9203 59.2538 71.4697 173.8781 48 D 4.7490 8.6939 123.8699 52.0508 41.0770 176.9140 49 K 3.7170 8.7109 118.1734 59.9276 31.8746 177.5940 50 N 4.4846 8.2664 112.9979 52.6268 38.8026 175.0232 51 G 3.6822 8.4428 105.3906 46.9968 0.0000 174.9319 52 F 5.3484 8.4019 116.8854 55.1441 41.8008 175.7873 53 L 4.5565 8.8921 126.3527 55.2073 42.1399 178.3465 54 Q 4.3507 9.3257 125.6967 55.1581 27.0224 174.9559 55 Y 4.6184 8.2602 117.8871 59.0303 39.3215 176.1007 56 D 5.4733 8.4494 119.1722 54.4875 41.8407 176.3497 57 V 4.6409 7.6554 110.1520 59.2952 35.9611 177.0372 58 L 3.9757 8.4355 121.2972 57.7921 41.6251 179.4833 59 E 4.0104 8.2075 116.4670 58.4457 29.8002 177.0619 60 A 4.6657 8.0755 121.6373 51.6824 18.9015 176.3172 61 L 5.2343 7.4691 117.2155 54.0419 45.8366 176.3746 62 N 4.5959 9.2035 120.7480 52.8555 39.3892 176.0358 *64 E 4.3717 8.5000 117.9769 56.3864 32.1516 177.2718 65 K 4.2904 7.3093 119.0503 56.3859 29.9391 176.9475 *68 S 4.2798 7.9418 116.7703 58.1415 64.6986 175.4924 69 A 4.0899 7.8945 121.8357 55.2887 17.7527 179.7105 70 I 3.8331 7.5633 117.1916 64.5138 37.3662 178.2953 71 S 4.3269 7.8988 114.8858 61.7004 63.0299 175.9890 72 C 4.3931 8.4497 119.7382 62.4070 27.8330 176.2235 73 W 3.9686 7.9613 126.1288 58.2797 29.7235 177.1263 *75 E 4.2204 8.1769 117.9370 55.7410 30.8091 177.5896 76 S 4.3080 7.8815 112.2144 59.7344 63.7597 175.1802 77 A 3.6909 7.5157 124.7784 54.7514 18.1419 179.4214 78 R 4.0764 7.0711 109.9108 57.7766 29.7909 176.4571 79 H 4.8089 7.5880 115.1974 55.0218 29.7585 173.4946 *92 I 3.9842 7.7047 118.1997 60.1111 39.1974 173.5179 93 P 4.7674 0.0000 0.0000 62.9572 32.5038 175.1295 94 I 5.2532 9.5564 125.5617 59.4403 40.5099 174.2067 95 L 4.6073 8.7857 128.2959 53.0649 44.7330 174.7995 96 I 4.8622 8.5969 127.2798 59.6727 39.8627 174.5752 97 I 4.8626 8.9735 128.8851 59.6722 39.0253 174.2752 98 E 5.1387 8.6440 126.1557 54.4701 32.2475 175.4625 99 G 4.1547 8.2219 107.2236 46.0137 0.0000 174.1256 100 F 4.8605 9.4746 115.6671 57.1723 38.7401 176.1519 101 L 3.4009 7.3220 122.6919 53.3736 42.5600 173.8917 102 L 4.5283 8.2856 122.0937 56.2725 43.6310 179.1803 103 F 5.2375 7.9255 112.2378 58.4155 38.3019 175.3359 104 N 5.0711 8.5302 115.7305 52.5240 38.0628 173.2798 105 Y 4.6015 8.2465 121.8291 55.9843 38.7629 175.9540 106 K 4.1952 8.3885 127.5414 58.4275 32.3740 177.6328 107 P 4.1373 0.0000 0.0000 65.2059 31.5078 177.4492 108 L 3.7055 7.8519 117.8665 56.9626 42.3359 178.8296 109 D 3.5171 7.5003 118.0188 57.2068 40.7560 178.4125 110 T 4.2814 7.2718 106.4725 61.6604 69.2952 175.4280 111 I 4.1584 7.1940 123.6417 62.5878 39.8174 176.7024 112 W 4.6474 7.1453 118.3362 57.6605 29.2668 175.1702 113 N 4.7392 8.8348 118.4049 53.8293 40.7410 175.3182 114 R 4.4090 7.5067 117.8588 55.2105 33.7989 173.7472 115 S 4.9210 8.3154 121.7634 56.7902 66.3055 172.5411 116 Y 5.1819 9.1659 121.2608 56.1492 42.1966 174.4107 117 F 5.1438 9.1132 124.5016 56.5287 42.4445 173.6778 118 L 4.9074 8.2930 126.8460 54.6109 42.8583 176.6833 119 T 4.8595 8.9170 118.6983 61.8911 72.2613 172.8165 120 I 4.9800 8.4234 125.4227 58.3289 41.2554 173.2672 121 P 4.6142 0.0000 0.0000 62.6064 32.3053 176.6602 122 Y 3.2179 8.8379 120.8743 61.0612 38.1607 178.6553 123 E 3.7029 8.1859 118.6365 58.9692 29.4472 178.9533 124 E 3.8597 7.9057 118.9935 59.1874 29.8818 177.8352 125 C 4.0092 8.0982 118.9053 62.5108 31.3929 175.4653 126 K 2.4800 7.2831 119.6634 58.7849 31.7020 178.4837 127 R 3.8285 7.2645 118.4115 59.3927 30.0352 178.6152 128 R 3.8434 8.0917 118.2318 59.3838 29.9452 178.8395 129 R 4.1350 8.0693 118.7774 59.5418 29.7549 177.8738 130 S 4.4139 7.4686 111.6128 59.6344 63.4404 175.2496 131 T 4.2697 7.7396 112.7133 61.1636 69.3800 174.1575 132 R 4.2535 7.1163 122.6773 54.3147 31.8830 175.0384 133 V 3.9382 8.0286 125.2800 61.8202 31.3144 175.0630 134 Y 4.1628 8.3096 125.7529 57.2525 39.2628 174.9990 135 Q 4.2255 8.0933 121.7775 54.2694 30.5595 172.3891 136 P 4.3759 0.0000 0.0000 61.8043 32.0074 174.6483 137 P 4.3651 0.0000 0.0000 62.2717 31.8722 176.1769 138 D 4.0544 8.4911 121.2702 54.2796 40.9464 176.9913 139 S 4.4312 8.1844 119.1091 56.8077 64.1230 171.4881 140 P 4.3910 0.0000 0.0000 63.7924 31.3356 176.8132 141 G 4.0900 9.1040 111.4172 47.2104 0.0000 174.9452 142 Y 3.7417 8.0522 123.3893 59.9851 38.7116 176.8533 143 F 3.9720 8.3137 121.1964 61.6445 39.3578 176.7750 144 D 4.5919 8.2523 117.0296 57.1966 40.8640 178.5079 145 G 3.6030 7.8590 104.9129 46.5112 0.0000 173.2839 146 H 4.3818 7.5616 118.1512 57.5826 31.6841 174.3646 147 V 3.5642 7.0019 117.0201 65.8690 31.8171 176.8938 148 W 4.0336 8.3517 129.3071 60.1270 30.8176 176.9592 149 P 4.0555 0.0000 0.0000 63.7343 31.4038 177.4367 *151 Y 4.6182 8.0055 119.7556 57.7158 40.4180 176.8768 152 L 3.4446 7.3428 119.3923 57.7772 41.4728 179.6555 153 K 3.9090 7.9031 119.2064 59.3407 31.8107 178.2544 154 Y 4.4115 7.9937 119.7436 60.5109 38.8582 177.1200 155 R 3.4814 7.2854 117.5722 59.1962 30.1500 178.3188 156 Q 3.9793 7.6063 118.3588 58.5223 29.7827 177.2565 157 E 4.1870 7.5459 120.1981 56.2809 28.5031 177.6125 *159 Q 4.1733 7.8921 117.1987 55.6580 31.1253 176.6497 160 D 4.4854 7.8752 115.8608 55.1352 41.6067 176.7924 161 I 3.0952 7.3086 118.8820 62.0149 37.1595 175.4323 162 T 4.2339 8.3382 114.0640 61.5275 69.9083 174.4118 163 W 4.6507 7.5695 118.8884 54.8052 30.3859 174.3659 164 E 4.2105 8.7961 119.3922 55.0867 29.2634 174.9449 165 V 4.0627 7.8704 126.4954 60.9523 33.5219 174.8806 166 V 4.0945 8.1888 128.7150 62.0289 32.4492 174.4362 167 Y 4.8564 8.8006 126.3111 57.7193 38.9590 175.0534 168 L 4.9447 9.4927 123.2320 52.9190 45.7741 175.2992 169 D 4.9493 8.7268 122.1928 53.3224 41.6684 177.1606 170 G 3.8418 9.3333 116.5767 47.3245 0.0000 173.8866 171 T 4.0997 7.8706 109.2341 63.3385 69.2992 175.1501 172 K 4.1747 7.4027 121.6862 55.7672 32.8929 176.8328 173 S 4.2632 8.3726 113.5421 58.6777 63.8800 174.3970 174 E 4.0101 8.6972 127.2468 59.1377 29.4666 178.8793 175 E 4.1854 8.1396 117.2983 59.1668 30.0559 178.4825 176 D 4.4029 7.9836 119.8350 57.2195 40.9876 178.7373 177 L 4.0199 8.0500 119.5889 57.5884 41.6261 179.2574 178 F 4.2592 7.9993 120.4732 61.4148 39.2735 177.2588 179 L 3.6814 8.2978 119.0008 57.6508 41.5231 179.2027 180 Q 4.0468 8.2034 119.6226 59.0911 28.8562 178.5718 181 V 3.5758 7.5673 118.8250 65.6023 31.4741 177.2230 182 Y 4.1778 8.1560 119.6111 60.8592 38.4385 177.8817 183 E 3.8004 8.2430 119.3970 59.5221 29.7604 178.5881 184 D 4.3823 7.6489 116.3956 57.8269 41.3287 178.7633 185 L 4.1974 8.3958 119.1215 57.3511 41.5223 179.0980 186 I 3.9073 7.2096 119.4846 62.9388 37.1539 177.0387 187 Q 4.4235 7.8450 116.8709 56.1627 28.5603 176.0174 188 E 4.5970 7.6918 119.5621 57.2586 32.0122 178.2058 189 L 3.7374 7.4516 116.7666 56.7113 42.3820 178.2859 190 A 4.1008 8.2518 122.2908 55.3491 18.2780 180.3545 191 K 4.4718 7.3787 112.2878 56.9589 31.6130 177.4601 192 Q 4.2735 7.9860 124.3005 56.1117 28.9682 175.6059 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 K 8.30 4.56 0.00 1.66 1.94 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.46 7.81 3 T 8.02 4.84 4.67 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 1.13 0.00 0.00 4 F 10.24 4.80 0.00 3.13 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 5 I 8.02 4.80 1.99 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 1.37 0.75 0.90 0.00 0.00 6 I 9.30 4.99 2.04 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.11 1.25 0.00 0.00 7 G 9.46 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 8 I 8.67 5.16 1.90 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 1.28 0.99 0.94 0.00 0.00 9 S 9.47 5.59 0.00 3.10 3.40 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 10 G 8.58 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 0.00 0.00 0.00 11 V 7.53 3.67 0.70 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 0.72 0.00 0.00 0.63 0.00 0.00 12 T 8.26 3.84 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 13 N 8.91 4.36 0.00 2.94 2.93 0.00 0.00 7.07 7.57 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 14 S 7.73 4.22 0.00 3.89 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 15 G 8.38 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 16 K 8.44 3.90 0.00 1.83 1.95 0.00 1.88 0.00 0.00 1.94 0.00 0.00 3.11 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.49 1.50 7.81 17 T 7.97 3.90 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 18 T 7.80 3.91 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 1.17 0.00 0.00 19 L 8.00 4.00 0.00 1.89 1.80 0.99 1.11 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 20 A 8.15 4.03 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 21 K 8.01 3.93 0.00 1.76 1.81 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.70 1.59 7.81 22 N 7.70 3.96 0.00 2.65 1.87 0.00 0.00 7.07 7.40 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 23 L 7.85 4.46 0.00 1.96 1.89 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.25 4.03 0.00 2.14 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 25 K 7.80 4.10 0.00 1.66 1.56 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.64 7.81 26 H 7.73 4.89 0.00 3.03 3.28 0.00 5.81 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.46 4.93 0.00 1.92 1.70 1.09 1.20 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 28 P 0.00 4.38 0.00 2.23 2.11 0.00 4.03 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 29 N 8.77 4.17 0.00 3.01 3.05 0.00 0.00 6.55 7.65 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 30 C 7.92 5.49 0.00 3.16 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 9.65 5.03 0.00 3.68 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 32 V 8.22 4.85 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 0.84 0.00 0.00 1.01 0.00 0.00 33 I 8.82 4.71 1.87 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.76 1.05 0.00 0.00 34 S 8.52 5.47 0.00 4.02 3.93 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 0.00 0.00 0.00 35 Q 9.21 4.17 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.81 0.00 0.00 0.00 0.00 0.00 2.24 2.18 0.00 36 D 8.17 4.65 0.00 2.85 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 37 D 7.95 4.53 0.00 2.18 2.35 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 38 F 7.89 4.74 0.00 3.11 3.13 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 39 F 8.18 4.93 0.00 3.05 3.07 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 40 K 8.96 4.50 0.00 1.74 1.81 0.00 1.83 0.00 0.00 1.97 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.71 1.47 7.81 41 P 0.00 4.39 0.00 2.15 2.22 0.00 3.84 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 2.11 2.04 0.00 42 E 9.29 3.97 0.00 2.11 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 0.00 2.45 2.55 0.00 43 S 8.12 4.28 0.00 4.07 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 44 E 8.65 4.38 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 2.30 2.35 0.00 45 I 6.89 4.11 1.71 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 -0.24 0.31 0.00 0.00 46 E 8.57 4.92 0.00 1.89 1.82 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 2.28 2.25 0.00 47 T 8.51 5.61 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 1.23 0.00 0.00 48 D 8.69 4.75 0.00 3.01 3.12 0.00 0.00 0.00 0.00 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139 S 8.18 4.43 0.00 4.11 4.05 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 0.00 140 P 0.00 4.39 0.00 2.16 2.12 0.00 3.88 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 141 G 9.10 4.09 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 0.00 0.00 0.00 142 Y 8.05 3.74 0.00 3.24 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 0.00 143 F 8.31 3.97 0.00 3.18 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 0.00 144 D 8.25 4.59 0.00 2.79 2.81 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 0.00 145 G 7.86 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 0.00 146 H 7.56 4.38 0.00 2.22 2.11 0.00 5.97 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 V 7.00 3.56 1.81 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 0.82 0.00 0.00 0.70 0.00 0.00 148 W 8.35 4.03 0.00 2.79 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 0.00 149 P 0.00 4.06 0.00 2.14 2.06 0.00 3.56 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 2.05 2.12 0.00 *151 Y 8.01 4.62 0.00 2.86 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 L 7.34 3.44 0.00 1.71 1.56 1.10 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 153 K 7.90 3.91 0.00 1.88 1.77 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.43 7.81 154 Y 7.99 4.41 0.00 2.75 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 0.00 155 R 7.29 3.48 0.00 1.58 1.65 0.00 3.02 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.25 0.00 156 Q 7.61 3.98 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.65 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 157 E 7.55 4.19 0.00 2.14 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 2.36 2.48 0.00 *159 Q 7.89 4.17 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.01 0.00 0.00 0.00 0.00 0.00 2.13 2.30 0.00 160 D 7.88 4.49 0.00 2.61 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 0.00 161 I 7.31 3.10 1.34 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.04 -0.39 0.00 0.00 162 T 8.34 4.23 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 0.00 163 W 7.57 4.65 0.00 3.35 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 0.00 164 E 8.80 4.21 0.00 1.95 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 2.17 2.25 0.00 165 V 7.87 4.06 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 0.00 0.00 0.00 0.06 0.00 0.00 166 V 8.19 4.09 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 1.15 0.00 0.00 0.83 0.00 0.00 167 Y 8.80 4.86 0.00 2.98 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 0.00 168 L 9.49 4.94 0.00 1.60 1.60 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 169 D 8.73 4.95 0.00 2.80 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 G 9.33 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 0.00 0.00 0.00 171 T 7.87 4.10 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 1.25 0.00 0.00 172 K 7.40 4.17 0.00 1.94 1.85 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.42 7.81 173 S 8.37 4.26 0.00 3.90 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 0.00 174 E 8.70 4.01 0.00 2.07 1.92 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 2.35 2.35 0.00 175 E 8.14 4.19 0.00 2.33 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 0.00 2.38 2.44 0.00 176 D 7.98 4.40 0.00 2.91 2.79 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 0.00 177 L 8.05 4.02 0.00 1.75 1.74 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 178 F 8.00 4.26 0.00 3.02 3.25 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 0.00 179 L 8.30 3.68 0.00 1.86 1.65 0.96 0.78 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 0.00 180 Q 8.20 4.05 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 181 V 7.57 3.58 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 0.54 0.00 0.00 0.56 0.00 0.00 182 Y 8.16 4.18 0.00 2.22 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 0.00 183 E 8.24 3.80 0.00 2.00 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 2.28 2.62 0.00 184 D 7.65 4.38 0.00 3.02 2.99 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 0.00 0.00 0.00 185 L 8.40 4.20 0.00 2.07 1.68 1.31 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 186 I 7.21 3.91 1.76 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.47 0.76 0.00 0.00 187 Q 7.84 4.42 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 188 E 7.69 4.60 0.00 2.14 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 2.39 2.54 0.00 189 L 7.45 3.74 0.00 1.52 1.57 0.78 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 190 A 8.25 4.10 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 0.00 191 K 7.38 4.47 0.00 1.68 1.86 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.41 7.81 192 Q 7.99 4.27 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.55 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.