NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 S 4.4285 8.1933 115.4125 58.5843 63.9259 171.6612 20 I 5.1506 7.8245 120.3746 57.6789 39.7017 172.1452 *22 K 4.3599 9.1135 122.7256 57.2997 34.4108 175.4718 23 I 5.0013 9.0167 127.9629 59.5541 40.9231 174.5254 24 L 5.2694 9.1023 126.0048 52.9588 45.1285 175.2971 25 L 5.1965 8.2257 121.4778 53.2103 43.7292 176.1198 26 I 4.3225 10.1595 124.5479 58.5729 41.3944 175.4977 27 G 3.7219 6.9609 112.4697 44.0069 0.0000 171.8868 28 D 4.8472 8.0491 119.2378 54.0811 41.3998 176.5342 29 S 4.4277 7.9408 115.8558 59.3473 62.8934 174.6389 30 G 4.0282 8.9758 114.5097 45.7136 0.0000 174.4145 31 V 3.8616 7.1321 111.7502 61.7656 32.2073 177.0214 32 G 4.3255 8.4376 109.3934 45.6722 0.0000 175.9181 33 K 3.9713 8.5263 120.8817 59.4761 32.0850 179.2187 34 S 4.5967 7.9594 116.1107 61.4589 62.7311 176.5068 35 C 4.2838 8.1063 118.8691 62.6535 27.9177 175.9776 36 L 4.1438 8.2083 120.9169 57.6131 41.1551 179.2691 37 L 4.0532 7.9632 120.1419 58.1403 41.9900 179.2022 38 V 3.5830 7.9548 118.2886 65.9917 31.3895 177.9731 39 R 4.1685 8.4783 118.8652 59.3803 29.6940 178.3706 40 F 4.3323 8.1135 119.6577 61.2213 39.4863 177.0806 41 V 3.3911 7.7207 116.5085 65.1690 31.6333 176.5168 42 E 4.2422 8.2828 115.0546 55.3607 30.7100 175.0413 43 D 5.0625 7.9449 116.8358 53.4380 39.4655 172.3015 44 K 4.7482 7.5148 116.9642 55.1256 35.9198 174.3227 45 F 4.8392 8.4245 123.9485 56.6569 42.5241 173.4711 46 N 4.7158 6.9833 123.8642 51.6099 42.0161 174.0538 47 P 4.3815 0.0000 0.0000 62.0966 29.9229 175.5361 *55 I 3.6539 7.2004 110.5535 61.0528 38.9889 175.1808 56 D 4.9902 7.7338 118.4510 53.7322 42.5081 175.2643 57 F 5.1539 6.7716 112.3790 55.0391 41.1141 173.8747 58 K 4.7906 9.2317 118.5604 54.7250 36.2505 175.1486 59 I 5.0706 8.2377 121.8539 59.6602 40.3212 175.2912 60 K 4.4297 8.6039 126.2962 55.5072 35.8644 174.5948 61 T 4.8710 8.5005 124.4323 62.6235 69.5150 174.3049 62 V 4.4822 9.3755 127.0408 61.0463 35.2487 173.5385 63 D 5.5233 8.7987 124.2950 52.7114 42.8336 175.6090 64 I 4.3945 9.3560 128.4777 60.2657 39.4339 175.6127 65 N 4.4269 9.7448 125.5078 54.5309 35.6057 174.8415 66 G 4.0173 8.2077 99.2285 46.1342 0.0000 172.5702 67 K 4.6909 7.7239 117.6644 54.1258 36.2290 175.6975 68 K 4.9124 8.7389 124.1296 55.9471 33.2127 176.4616 69 V 4.3875 9.4895 125.3986 60.9037 35.0380 173.8989 70 K 4.7504 8.5794 129.1367 55.3893 33.8085 174.9907 71 L 4.7071 9.0423 128.6995 53.6448 43.6038 175.5367 72 Q 4.3999 8.7418 125.7118 54.7872 30.4007 173.7818 73 I 4.9347 8.7178 129.0800 59.8353 38.8295 175.0444 74 W 5.0730 9.5988 128.4562 55.5570 30.8824 174.9223 75 D 5.2858 9.4529 124.8649 52.6925 42.6713 177.4620 76 T 3.8179 8.8478 114.5496 62.5855 69.1102 174.8835 77 A 3.4661 8.9477 123.8652 53.1930 16.7553 178.4105 78 G 4.0368 8.2310 105.6018 47.1091 0.0000 176.0524 79 Q 3.3174 7.9767 120.3218 58.7366 29.0817 179.2201 80 E 3.9871 8.1099 114.8398 58.9686 29.4751 178.8276 81 R 4.3392 7.9432 117.8020 57.8560 30.3480 176.9038 82 F 5.0188 7.9526 109.7556 55.8795 39.4915 174.2221 83 R 4.5136 6.8751 115.7304 55.1834 31.7086 174.5704 84 T 3.9809 8.1195 115.7776 63.0881 69.0076 174.8166 85 I 3.5413 8.2757 126.4142 61.4433 37.2820 175.8853 86 T 3.8384 8.3439 122.7113 65.2263 68.9844 175.9476 87 T 3.9250 8.3408 117.1982 64.6317 69.8679 175.3020 88 A 4.2495 8.0157 124.1191 53.6644 18.9906 178.5290 89 Y 3.6987 9.9152 116.3995 60.3835 39.1943 176.7647 90 Y 4.2563 7.6768 116.3064 60.0415 38.3730 175.5869 91 R 3.8954 7.1462 118.2092 58.3567 30.0887 176.4467 92 G 3.7885 8.9581 113.4741 45.1718 0.0000 172.8332 93 A 4.4838 7.2125 122.3042 50.8128 19.4469 176.7906 *95 G 3.8325 8.2418 105.2862 46.4035 0.0000 172.2825 96 I 5.1269 8.6683 124.6308 59.7246 41.3872 174.2589 97 I 4.6592 9.0782 129.2099 59.8599 39.0455 174.8511 98 L 4.9273 9.1132 128.5367 53.5636 43.3749 175.8315 99 V 5.0464 8.8721 124.8967 61.1716 34.0406 173.9065 100 Y 5.1371 8.6378 124.3531 55.3375 42.3683 173.3545 101 D 5.3039 9.1232 119.9562 52.4360 42.4130 177.2213 102 I 3.9441 8.8132 120.8822 63.2620 37.6841 177.2595 103 T 4.2866 8.5650 110.5562 61.5624 69.2796 174.3170 104 D 4.7045 8.2361 122.6188 51.5896 42.2642 174.9211 105 E 4.0173 8.9930 127.5195 59.4709 29.5050 178.2424 106 R 3.9440 7.9353 118.0435 59.8737 29.9052 178.6196 107 T 4.8210 7.8632 109.1820 64.1053 68.9945 176.1156 108 F 4.1791 8.1571 123.3429 61.4261 39.6288 177.1780 109 T 3.6572 8.1864 115.5491 66.6689 68.2804 176.0135 110 N 4.5717 8.4043 117.2257 55.0988 38.4509 177.1961 111 I 4.0208 7.6093 122.2943 64.4516 37.1297 178.2524 112 K 4.0096 7.6096 117.9057 59.5146 31.7190 179.4476 113 Q 3.9412 7.9210 117.9134 58.6192 28.6427 178.4581 114 W 4.3166 8.0607 120.0501 59.7791 29.1009 178.2386 115 F 4.2107 8.8741 121.0518 61.1384 38.8199 177.1120 116 K 3.8342 8.2132 119.1339 59.8652 31.9643 178.8557 117 T 3.9086 8.1276 116.2556 66.6570 68.3959 176.7696 118 V 3.1069 8.1647 120.3830 66.0524 31.3652 177.9115 119 N 4.2485 7.6831 114.8152 55.8822 38.3500 176.6145 120 E 4.1162 7.8655 118.1592 57.5874 29.8986 176.7277 121 H 4.6268 7.5650 112.8686 54.9677 30.9720 173.5440 122 A 4.2515 7.6765 122.4687 50.2428 20.2696 176.1697 123 N 4.5163 8.2112 117.2249 53.3822 39.7239 175.4223 124 D 4.3542 8.7461 124.5050 57.7087 40.9961 178.1445 125 E 4.0259 8.6804 116.8064 58.1519 29.6922 177.2471 126 A 4.0149 7.3304 120.4897 52.7526 19.0642 176.7229 127 Q 4.4339 8.7276 123.3123 54.9596 30.7285 174.7144 128 L 5.6791 8.4261 125.6285 52.9994 44.5388 175.5315 129 L 4.7135 8.1446 121.1279 53.9516 45.9575 173.5982 130 L 5.1914 9.1557 128.7914 53.7582 44.1429 175.0240 131 V 4.6823 9.2438 126.5074 60.9853 34.6354 174.2468 132 G 3.3585 8.5289 115.8162 44.5884 0.0000 172.4947 133 N 5.0732 8.5748 125.9927 52.0195 41.8253 174.3553 134 K 4.2945 8.7086 116.7979 57.7261 28.8043 178.2728 135 S 4.3269 8.1205 114.0512 60.1375 63.3450 174.1447 136 D 4.5205 7.4212 122.4241 52.9059 37.8784 177.3485 *138 E 4.2851 7.8486 118.9127 57.2131 31.9365 177.9379 139 T 4.3727 7.8745 107.2262 61.4617 68.8891 174.5825 140 R 4.1106 7.3147 121.4015 57.6578 30.2847 176.5913 141 V 4.3404 8.7834 115.3602 60.3612 33.7411 175.6275 142 V 4.2397 7.6424 119.9328 60.9216 32.7908 175.8524 143 T 4.2355 8.6743 118.3128 61.0670 70.9472 175.4480 144 A 4.6896 8.3841 124.9705 55.0718 18.3817 179.7892 145 D 4.2910 8.0571 116.9003 57.5700 40.9386 178.8902 146 Q 4.0291 8.0389 118.6227 58.8363 28.6898 179.0584 147 G 3.3999 7.6394 107.9611 47.2170 0.0000 175.5597 148 E 3.4787 7.8765 121.3182 58.7644 29.3963 179.4044 149 A 3.9314 7.9288 120.9749 54.9474 18.3520 179.4997 150 L 3.7530 7.9982 118.6750 58.0521 42.1033 178.8711 151 A 3.9340 7.9073 120.8089 55.0984 18.4221 179.5066 152 K 3.8188 8.0141 117.9674 59.6926 32.0724 178.6114 153 E 3.8863 7.9881 118.3328 59.0598 29.6149 178.1937 154 L 3.8694 7.8412 117.4733 54.5294 41.9381 177.0536 155 G 3.8530 7.8479 106.4771 46.3369 0.0000 173.1265 156 I 4.9316 7.7229 111.3752 57.6153 41.0690 173.2430 157 P 4.6383 0.0000 0.0000 63.0570 32.6473 174.6794 158 F 5.6004 8.5996 121.8936 56.8474 42.6526 173.9468 159 I 4.2272 7.6850 124.3965 59.7524 42.1758 173.4991 160 E 4.8230 8.2957 125.3132 54.6980 32.0231 175.1024 161 S 5.1684 8.9574 117.8136 56.9620 67.7870 173.0747 162 S 4.5305 8.8965 114.0578 56.8536 63.8403 174.2302 163 A 4.0111 8.7121 131.1423 54.9390 18.6858 179.6728 164 K 2.4800 7.7015 115.9387 58.9535 32.1467 177.2408 165 N 4.5605 7.9390 112.7557 52.0588 38.8572 174.5067 166 D 4.2574 7.1296 115.1973 55.4764 40.2316 173.4848 167 D 4.6887 8.1973 118.3744 53.4599 41.5237 175.3619 168 N 4.3248 8.9070 122.0483 54.3959 36.5767 176.4910 169 V 3.7369 7.7845 119.5885 66.3682 31.7266 177.7556 170 N 4.7741 8.3404 115.8089 56.4033 38.3556 176.7392 171 E 4.0235 7.8179 120.8230 59.2467 29.6113 178.7339 172 I 3.4563 7.3808 119.9005 64.6201 37.0673 178.4179 173 F 3.9262 7.5043 117.6541 60.4237 38.7475 177.7954 174 F 3.9878 8.6173 117.5478 60.6124 38.7503 177.8830 175 T 3.8995 8.3166 115.7262 66.6609 68.3365 176.4418 176 L 3.9246 7.8933 121.9558 58.0522 42.0375 178.8003 177 A 4.0163 8.3264 121.0868 55.1504 18.3077 179.8115 178 K 3.9766 8.2039 117.0160 59.5917 32.0763 179.6693 179 L 4.1524 7.9681 119.2649 57.6745 41.2578 179.6806 180 I 3.7201 7.6441 119.1854 64.2962 37.3459 177.9202 181 Q 4.0863 8.2677 120.5428 59.1340 28.6963 177.6482 182 E 3.9560 8.3993 119.5374 59.4514 29.7579 178.6982 183 K 4.1750 8.0300 116.0984 58.0905 32.1926 177.6985 184 I 4.1476 7.8579 125.5525 61.3888 37.3636 175.2177 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 19 S 8.19 4.43 0.00 4.01 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 20 I 7.82 5.15 1.85 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 1.15 1.83 0.88 0.00 0.00 *22 K 9.11 4.36 0.00 1.83 1.86 0.00 1.39 0.00 0.00 1.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.41 7.81 23 I 9.02 5.00 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.64 1.09 0.00 0.00 24 L 9.10 5.27 0.00 1.71 1.70 0.58 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.23 5.20 0.00 1.69 1.61 1.18 0.77 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 26 I 10.16 4.32 1.74 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 1.08 0.80 0.22 0.00 0.00 27 G 6.96 3.72 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 0.00 0.00 0.00 28 D 8.05 4.85 0.00 2.99 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 29 S 7.94 4.43 0.00 3.91 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 30 G 8.98 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 31 V 7.13 3.86 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 0.87 0.00 0.00 1.05 0.00 0.00 32 G 8.44 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 0.00 0.00 0.00 0.00 33 K 8.53 3.97 0.00 1.82 1.89 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.50 1.51 7.81 34 S 7.96 4.60 0.00 3.88 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 C 8.11 4.28 0.00 3.13 3.24 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 36 L 8.21 4.14 0.00 2.00 1.91 0.91 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.96 4.05 0.00 1.86 1.92 0.94 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.95 3.58 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 1.08 0.00 0.00 0.98 0.00 0.00 39 R 8.48 4.17 0.00 2.12 2.28 0.00 3.43 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.83 0.00 40 F 8.11 4.33 0.00 2.99 2.96 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 41 V 7.72 3.39 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 0.77 0.00 0.00 0.87 0.00 0.00 42 E 8.28 4.24 0.00 2.02 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 2.22 2.33 0.00 43 D 7.94 5.06 0.00 2.74 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 44 K 7.51 4.75 0.00 1.71 1.61 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.37 7.81 45 F 8.42 4.84 0.00 2.98 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 46 N 6.98 4.72 0.00 2.52 2.40 0.00 0.00 7.07 7.69 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 47 P 0.00 4.38 0.00 2.12 2.14 0.00 3.76 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 2.17 2.52 0.00 *55 I 7.20 3.65 0.64 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.09 0.50 0.00 0.00 56 D 7.73 4.99 0.00 2.61 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 57 F 6.77 5.15 0.00 2.24 1.45 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 58 K 9.23 4.79 0.00 1.63 1.65 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.25 1.31 7.81 59 I 8.24 5.07 1.89 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.48 0.90 0.00 0.00 60 K 8.60 4.43 0.00 1.59 1.45 0.00 0.92 0.00 0.00 0.61 0.00 0.00 2.48 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.09 1.19 7.81 61 T 8.50 4.87 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 62 V 9.38 4.48 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 0.53 0.00 0.00 0.71 0.00 0.00 63 D 8.80 5.52 0.00 2.76 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 64 I 9.36 4.39 1.90 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 1.35 0.95 0.97 0.00 0.00 65 N 9.74 4.43 0.00 2.87 2.87 0.00 0.00 7.15 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 66 G 8.21 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 67 K 7.72 4.69 0.00 1.87 1.67 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.55 7.81 68 K 8.74 4.91 0.00 1.63 1.75 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.50 7.81 69 V 9.49 4.39 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 0.93 0.00 0.00 0.93 0.00 0.00 70 K 8.58 4.75 0.00 1.87 1.65 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.39 7.81 71 L 9.04 4.71 0.00 1.71 1.64 1.00 0.50 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 72 Q 8.74 4.40 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.92 0.00 0.00 0.00 0.00 0.00 2.00 1.81 0.00 73 I 8.72 4.93 1.93 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.57 1.08 0.00 0.00 74 W 9.60 5.07 0.00 3.20 3.21 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 75 D 9.45 5.29 0.00 2.81 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.85 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 1.10 0.00 0.00 77 A 8.95 3.47 1.54 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 78 G 8.23 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 79 Q 7.98 3.32 0.00 1.88 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.69 0.00 0.00 0.00 0.00 0.00 2.23 2.47 0.00 80 E 8.11 3.99 0.00 2.38 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 2.43 2.45 0.00 81 R 7.94 4.34 0.00 2.17 2.17 0.00 3.18 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 82 F 7.95 5.02 0.00 3.05 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 R 6.88 4.51 0.00 1.81 1.81 0.00 2.99 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 1.32 0.00 84 T 8.12 3.98 4.20 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 1.18 0.00 0.00 85 I 8.28 3.54 1.69 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.49 0.04 0.00 0.00 86 T 8.34 3.84 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 1.24 0.00 0.00 87 T 8.34 3.92 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 88 A 8.02 4.25 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 9.92 3.70 0.00 2.78 2.63 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 0.00 0.00 0.00 0.00 90 Y 7.68 4.26 0.00 3.29 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 91 R 7.15 3.90 0.00 1.79 2.04 0.00 3.24 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 92 G 8.96 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 93 A 7.21 4.48 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 *95 G 8.24 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 96 I 8.67 5.13 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.77 1.03 0.00 0.00 97 I 9.08 4.66 1.82 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.53 0.83 0.00 0.00 98 L 9.11 4.93 0.00 1.73 1.73 1.06 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.87 5.05 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 0.97 0.00 0.00 0.89 0.00 0.00 100 Y 8.64 5.14 0.00 3.20 3.27 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 0.00 101 D 9.12 5.30 0.00 2.82 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.81 3.94 1.91 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 1.60 1.01 0.89 0.00 0.00 103 T 8.56 4.29 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 1.27 0.00 0.00 104 D 8.24 4.70 0.00 2.71 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 0.00 105 E 8.99 4.02 0.00 2.16 2.02 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 2.44 2.54 0.00 106 R 7.94 3.94 0.00 1.99 2.20 0.00 3.19 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 107 T 7.86 4.82 4.47 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 1.45 0.00 0.00 108 F 8.16 4.18 0.00 2.90 3.22 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 0.00 109 T 8.19 3.66 4.40 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 1.17 0.00 0.00 110 N 8.40 4.57 0.00 2.89 2.89 0.00 0.00 7.02 7.01 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 0.00 111 I 7.61 4.02 1.75 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.98 0.95 0.00 0.00 112 K 7.61 4.01 0.00 1.77 1.82 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.29 7.81 113 Q 7.92 3.94 0.00 1.98 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.33 2.21 0.00 114 W 8.06 4.32 0.00 3.69 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 0.00 115 F 8.87 4.21 0.00 3.24 3.30 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 0.00 116 K 8.21 3.83 0.00 2.02 1.97 0.00 1.69 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.46 7.81 117 T 8.13 3.91 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 118 V 8.16 3.11 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 0.68 0.00 0.00 1.16 0.00 0.00 119 N 7.68 4.25 0.00 2.56 2.60 0.00 0.00 7.11 7.20 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 0.00 120 E 7.87 4.12 0.00 1.84 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 0.00 2.20 2.33 0.00 121 H 7.56 4.63 0.00 2.78 3.34 0.00 5.84 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 0.00 122 A 7.68 4.25 0.93 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 0.00 0.00 123 N 8.21 4.52 0.00 2.71 2.65 0.00 0.00 6.88 8.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.75 4.35 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 0.00 125 E 8.68 4.03 0.00 2.06 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 2.33 2.29 0.00 126 A 7.33 4.01 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 0.00 127 Q 8.73 4.43 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 128 L 8.43 5.68 0.00 1.67 1.71 0.92 1.11 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 0.00 129 L 8.14 4.71 0.00 1.71 1.42 0.91 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 130 L 9.16 5.19 0.00 1.98 1.97 1.34 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 131 V 9.24 4.68 1.98 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 1.65 1.68 0.00 141 V 8.78 4.34 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 0.81 0.00 0.00 1.07 0.00 0.00 142 V 7.64 4.24 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 -0.11 0.00 0.00 0.76 0.00 0.00 143 T 8.67 4.24 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 144 A 8.38 4.69 1.44 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 0.00 0.00 0.00 145 D 8.06 4.29 0.00 2.67 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 Q 8.04 4.03 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 147 G 7.64 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 0.00 0.00 0.00 148 E 7.88 3.48 0.00 2.04 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 2.53 2.49 0.00 149 A 7.93 3.93 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 0.00 150 L 8.00 3.75 0.00 1.71 1.76 0.66 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 151 A 7.91 3.93 1.51 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 0.00 0.00 152 K 8.01 3.82 0.00 1.94 1.94 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.43 7.81 153 E 7.99 3.89 0.00 1.99 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 2.19 2.27 0.00 154 L 7.84 3.87 0.00 1.34 0.87 0.59 0.18 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 0.00 155 G 7.85 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 0.00 156 I 7.72 4.93 2.11 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 1.28 0.84 1.05 0.00 0.00 157 P 0.00 4.64 0.00 2.16 2.25 0.00 3.84 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 2.11 1.99 0.00 158 F 8.60 5.60 0.00 2.98 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 0.00 159 I 7.68 4.23 1.61 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.24 0.71 0.00 0.00 160 E 8.30 4.82 0.00 1.75 1.72 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 2.25 2.17 0.00 161 S 8.96 5.17 0.00 3.82 3.80 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 0.00 162 S 8.90 4.53 0.00 3.80 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 A 8.71 4.01 1.54 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 0.00 164 K 7.70 2.48 0.00 0.84 1.43 0.00 1.63 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.05 0.69 7.81 165 N 7.94 4.56 0.00 2.65 2.74 0.00 0.00 7.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 D 7.13 4.26 0.00 2.79 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 0.00 167 D 8.20 4.69 0.00 2.64 2.45 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 0.00 168 N 8.91 4.32 0.00 2.99 2.79 0.00 0.00 6.75 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 V 7.78 3.74 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 1.38 0.00 0.00 0.99 0.00 0.00 170 N 8.34 4.77 0.00 2.90 3.20 0.00 0.00 6.71 7.66 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 0.00 171 E 7.82 4.02 0.00 2.16 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 0.00 2.27 2.35 0.00 172 I 7.38 3.46 1.42 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 1.27 0.43 0.12 0.00 0.00 173 F 7.50 3.93 0.00 2.28 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 0.00 174 F 8.62 3.99 0.00 3.19 3.18 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 0.00 175 T 8.32 3.90 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 1.21 0.00 0.00 176 L 7.89 3.92 0.00 1.75 1.72 0.96 1.06 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 0.00 177 A 8.33 4.02 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 0.00 178 K 8.20 3.98 0.00 2.02 1.91 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.54 1.82 7.81 179 L 7.97 4.15 0.00 1.88 1.73 nan 0.88 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 0.00 180 I 7.64 3.72 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.60 0.91 0.00 0.00 181 Q 8.27 4.09 0.00 2.29 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 182 E 8.40 3.96 0.00 2.23 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 0.00 2.34 2.38 0.00 183 K 8.03 4.18 0.00 1.94 1.85 0.00 1.97 0.00 0.00 1.71 0.00 0.00 3.25 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.48 1.71 7.81 184 I 7.86 4.15 2.06 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 1.38 0.78 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.