NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.2679 8.1693 120.6359 53.6529 43.2790 176.3736 8 P 4.2235 0.0000 0.0000 61.4446 31.5209 172.9339 9 P 4.3865 0.0000 0.0000 64.4669 32.4097 178.3046 10 G 3.5168 9.0368 111.8501 44.4931 0.0000 172.6497 11 W 5.0454 7.5456 120.0002 56.1594 29.9416 175.7642 12 E 4.9748 9.7789 121.7158 54.4319 33.1103 174.3371 13 K 4.3717 8.7044 121.8778 55.9794 33.5249 175.3717 14 A 4.5480 8.2573 127.3926 50.6226 23.4841 173.9607 15 M 5.0141 8.1803 118.0573 53.7168 34.8282 174.9955 16 S 4.4666 9.8015 122.1152 58.1443 63.1013 174.9368 17 R 3.9464 8.9138 127.9660 59.6145 30.3395 177.6671 18 S 4.3263 8.3425 113.0291 61.2870 62.8639 175.2717 19 S 4.5218 8.2365 111.7599 57.1492 64.2874 175.2259 20 G 3.9694 8.3832 108.1459 45.9465 0.0000 173.7831 21 R 4.4088 7.7151 118.6575 55.2419 31.6079 176.3134 22 V 4.2593 8.5335 122.6054 63.7123 32.4123 174.5221 23 Y 5.1282 8.4563 124.3976 55.9113 42.0805 173.0473 24 Y 4.9895 9.2610 115.3466 56.4259 42.2348 174.8652 25 F 5.6360 9.8147 124.5245 56.5763 43.5722 172.8234 26 N 4.5259 7.7145 124.6756 51.6160 40.0685 174.3747 27 H 4.1328 8.4365 122.1401 56.6202 28.7184 176.2348 28 I 4.0269 7.8310 120.6362 62.7560 38.1138 176.6658 29 T 4.1031 7.4230 108.3011 60.7546 69.5431 175.1923 30 N 3.9874 7.9844 118.5539 53.9156 36.9565 173.5401 31 A 4.4563 7.2620 120.4312 51.8916 19.7393 177.6087 32 S 5.7029 8.6208 114.0191 57.0489 66.4118 173.1237 33 Q 4.5792 9.2782 118.4650 55.0511 31.6750 175.7356 34 W 4.4906 8.8650 120.8963 60.0428 29.4765 177.3450 35 E 4.2350 8.0732 115.8692 55.7266 29.6446 176.3144 36 R 2.5100 8.0249 122.3575 54.3156 31.0997 176.0518 37 P 4.0730 0.0000 0.0000 61.5612 30.3383 175.4600 *51 E 4.1100 8.5738 117.7604 55.1701 30.4636 173.9655 52 P 4.5816 0.0000 0.0000 62.1405 32.5207 176.2291 53 A 4.2435 8.5680 122.5474 54.5939 18.6865 178.2273 54 R 5.1020 7.7671 112.1895 54.6328 34.0343 175.4516 55 V 4.3218 7.8760 114.0189 59.3484 36.4546 174.3009 56 R 4.8916 8.3049 121.8260 53.8778 32.8130 174.2556 57 C 5.3352 8.7442 121.9042 58.2982 32.9294 173.0960 58 S 5.5679 8.9751 117.6288 57.5208 65.5168 172.6007 59 H 5.6618 9.4186 116.1704 54.5636 32.7902 171.8090 60 L 4.9256 9.3181 120.6071 53.1622 45.0061 174.5240 61 L 4.9786 8.7360 128.5233 53.2412 44.6277 174.8727 62 V 4.6252 9.0668 126.5807 61.1500 33.6454 175.3387 63 K 4.7291 9.0611 128.1397 56.0399 33.8020 175.1886 64 H 4.9690 8.6999 116.5859 54.0940 31.6224 174.5127 65 S 4.1096 8.9074 114.1015 60.8104 62.6650 175.0914 66 Q 4.4745 8.1235 117.8838 55.4426 29.0518 175.8095 67 S 4.3860 7.8205 115.3488 58.4981 63.4353 174.7618 68 R 4.0167 8.8806 120.3223 58.8788 29.0416 176.8359 69 R 4.4138 7.4692 117.4200 53.3274 30.9794 173.2591 70 P 4.6326 0.0000 0.0000 61.0385 29.9106 176.3349 71 S 4.9326 7.3168 111.0325 58.2048 65.9518 172.6591 72 S 4.6081 9.0144 119.9829 56.8597 65.7288 174.9251 73 W 4.3368 8.7850 116.7670 59.3873 27.6830 177.5108 74 R 3.4163 6.7835 117.5294 58.0293 29.9533 176.7877 75 Q 4.3335 7.7085 118.2181 54.8174 32.2252 174.3108 76 E 3.8823 9.0470 127.1155 58.1340 29.9504 176.3703 77 K 4.5297 7.7651 119.1969 54.3581 33.8888 174.8813 78 I 4.3033 8.4659 128.9712 60.7981 37.5711 175.9951 79 T 4.5143 8.2905 114.2761 60.9297 70.5057 174.7140 80 R 4.1258 7.8534 119.7937 56.5695 29.9522 176.3234 81 T 4.3583 9.1319 111.4658 61.1750 70.9650 175.3926 82 K 3.6214 8.6508 122.7869 60.1277 31.9790 178.4611 83 E 3.9941 8.0902 118.6911 59.2878 29.6625 178.4596 84 E 3.9604 8.3165 118.5737 59.1508 29.4164 179.1554 85 A 3.9558 8.2764 121.2262 55.0165 18.3550 179.4716 86 L 3.8512 8.0325 118.8944 58.2644 42.1902 179.0476 87 E 3.8880 8.1998 118.6358 59.1908 29.3614 179.2574 88 L 3.5029 7.7318 118.9945 57.6578 41.5777 179.4892 89 I 3.7231 7.6384 119.6417 64.6870 37.0900 178.2940 90 N 4.4373 8.4182 117.5416 56.2166 38.3133 177.8064 91 G 3.5000 7.9878 107.2141 47.7852 0.0000 175.5279 92 Y 4.4367 7.6220 119.0612 60.9884 37.9013 178.2972 93 I 3.8242 8.2642 121.2335 64.4058 37.1060 178.4823 94 Q 4.0233 8.1839 118.8712 59.0863 28.6218 179.1105 95 K 4.0462 8.1818 119.4386 59.4073 32.0885 179.6477 96 I 4.3237 8.0662 121.7403 63.9026 36.9075 178.6608 97 K 4.1496 8.5642 118.8039 59.2400 31.9586 179.1685 98 S 4.3740 8.3029 113.5207 59.3657 63.2060 175.4313 99 G 3.9923 7.7875 110.0112 45.3191 0.0000 174.0957 100 E 4.1202 7.9627 120.4063 58.4146 29.9739 176.5760 101 E 4.8114 8.4105 116.8136 53.7470 33.9783 174.1215 102 D 5.1341 8.2313 120.4774 51.6331 43.0707 177.3065 103 F 3.9399 8.7134 121.9101 61.7006 39.4042 177.0030 104 E 4.0686 8.5380 117.6240 59.5360 29.2462 179.2633 105 S 4.0009 7.9545 112.5040 61.4894 62.5298 176.3152 106 L 3.8832 7.7054 120.9981 57.3725 41.2855 179.2946 107 A 3.7572 8.2173 121.1428 55.2052 18.1485 179.6078 108 S 4.2256 8.0271 113.6762 62.2121 62.7181 177.2027 109 Q 3.8412 7.5404 118.9682 57.8355 28.4296 176.9840 110 F 5.0003 7.7824 114.7683 56.6416 41.2542 175.3512 111 S 4.3833 8.0835 115.9775 58.6359 62.5006 173.3138 112 D 4.5288 9.0340 126.7544 54.4691 40.9209 175.8215 113 C 4.7144 7.7740 120.6816 57.8535 33.1979 174.6106 114 S 4.1095 8.7554 120.8955 61.1617 62.4193 176.4746 115 S 4.1896 8.3330 117.3178 60.7919 62.4103 175.7623 116 A 3.9581 8.2188 125.2383 55.5169 17.7754 179.5414 117 K 3.8591 7.6729 114.9432 57.9634 32.3765 178.0923 118 A 4.6864 7.9662 121.8150 51.5846 20.1356 177.2424 119 R 3.8354 7.9789 116.3562 58.0544 28.4335 177.9331 120 G 4.1307 8.2062 104.0374 46.4357 0.0000 173.2348 121 D 4.8162 7.9304 119.4217 53.6504 41.4523 175.9880 122 L 4.3923 8.8137 125.8532 53.9021 42.3478 177.9301 123 G 3.8611 8.4855 108.8478 44.4962 0.0000 172.1871 124 A 4.7439 8.3334 119.8819 51.3183 20.1884 177.1087 125 F 5.2544 8.6866 114.9382 55.8441 41.9833 173.2457 126 S 5.4729 9.2328 114.8277 56.3282 65.7446 173.9164 127 R 4.1211 8.2587 118.6468 57.1992 30.1441 177.5662 128 G 4.0225 9.1425 108.6359 45.5381 0.0000 174.1281 129 Q 4.4263 7.9865 117.1004 56.7463 30.7820 175.7832 130 M 4.3824 7.6317 115.0826 53.1853 34.2678 176.0819 131 Q 4.0020 8.3783 118.5726 56.7576 30.3554 178.6971 132 K 4.0489 8.7753 123.4001 59.3696 32.2122 177.8859 133 P 4.2081 0.0000 0.0000 65.1340 31.1707 178.5629 134 F 3.8440 8.1818 119.3338 61.1285 39.4151 176.5342 135 E 4.3502 8.8408 119.3581 59.7266 29.2878 178.4858 136 D 4.4216 8.7435 117.6619 57.3320 41.0345 178.4056 137 A 4.0467 8.0018 121.2234 55.2375 18.3456 179.8416 138 S 3.9185 8.2885 113.9956 61.7310 62.7776 176.6160 139 F 4.1849 8.4752 117.7774 58.8181 38.9474 176.7846 140 A 4.3859 7.5831 119.1831 52.0291 19.4554 177.5525 141 L 4.2933 6.7058 115.8807 54.4410 42.6287 177.2730 142 R 4.2886 8.8629 120.7850 55.4194 31.0188 176.5069 143 T 3.9866 8.1814 116.7162 65.6009 68.6575 175.0030 144 G 3.9021 9.1221 115.5521 44.7699 0.0000 172.7572 145 E 4.5009 8.0309 121.3179 55.2452 31.4139 174.3309 146 M 5.1738 8.4224 125.4973 53.7054 34.3959 175.5522 147 S 4.3501 8.9749 121.1067 58.0715 64.5485 174.0725 148 G 4.1629 8.0645 109.2978 43.7418 0.0000 171.1432 149 P 4.5727 0.0000 0.0000 62.6178 32.2229 176.2355 150 V 4.5285 8.7257 124.3807 61.1405 34.2346 173.9579 151 F 5.3507 9.2530 126.6752 56.3183 40.8872 175.1482 152 T 4.8683 9.1583 112.7545 59.9350 72.1956 174.2658 153 D 4.5682 8.6440 119.6023 57.0673 40.9650 179.2241 154 S 4.3483 7.9387 114.9321 59.9269 63.8012 174.8803 155 G 3.7055 6.5800 108.7627 45.1792 0.0000 171.0917 156 I 4.8096 8.2322 123.6428 59.7703 40.1835 174.8361 157 H 5.5870 9.4526 122.9755 54.1433 32.6724 172.6309 158 I 4.8783 8.8162 121.8189 59.7541 39.9496 174.7087 159 I 5.0267 9.0012 127.0462 59.3567 40.5841 174.1073 160 L 4.7520 8.9043 128.6564 53.0436 44.4703 174.9147 161 R 4.6115 8.6216 127.8672 55.9436 30.5803 176.4873 162 T 4.3154 8.8941 117.0419 62.1786 70.7733 174.7796 163 E 4.1371 7.6329 126.6110 56.6548 30.6931 174.6810 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 7 L 8.17 4.27 0.00 1.79 1.83 1.15 0.64 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 8 P 0.00 4.22 0.00 2.55 2.31 0.00 3.62 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 9 P 0.00 4.39 0.00 2.06 2.06 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 10 G 9.04 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.55 5.05 0.00 3.38 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 12 E 9.78 4.97 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 13 K 8.70 4.37 0.00 1.82 1.70 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.69 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.23 1.02 7.81 14 A 8.26 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 M 8.18 5.01 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 16 S 9.80 4.47 0.00 4.16 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 17 R 8.91 3.95 0.00 1.84 1.96 0.00 3.30 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 18 S 8.34 4.33 0.00 3.98 3.98 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 19 S 8.24 4.52 0.00 3.92 3.99 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 20 G 8.38 3.97 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 0.00 0.00 0.00 21 R 7.72 4.41 0.00 1.96 2.02 0.00 3.07 0.00 0.00 2.95 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.46 0.00 22 V 8.53 4.26 2.15 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 0.57 0.00 0.00 0.92 0.00 0.00 23 Y 8.46 5.13 0.00 3.01 2.68 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 0.00 0.00 0.00 0.00 24 Y 9.26 4.99 0.00 2.94 3.04 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 25 F 9.81 5.64 0.00 3.14 3.04 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 26 N 7.71 4.53 0.00 1.44 1.53 0.00 0.00 6.81 7.61 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 27 H 8.44 4.13 0.00 3.17 3.46 0.00 5.79 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.83 4.03 1.72 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.19 0.87 0.00 0.00 29 T 7.42 4.10 4.08 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 1.03 0.00 0.00 30 N 7.98 3.99 0.00 3.09 3.10 0.00 0.00 6.73 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 31 A 7.26 4.46 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.62 5.70 0.00 3.96 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 0.00 33 Q 9.28 4.58 0.00 2.18 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 34 W 8.86 4.49 0.00 3.38 3.35 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 35 E 8.07 4.24 0.00 1.93 1.80 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 2.37 2.39 0.00 36 R 8.02 2.51 0.00 0.73 1.46 0.00 3.12 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.04 0.00 37 P 0.00 4.07 0.00 1.29 0.49 0.00 2.72 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.44 0.00 *51 E 8.57 4.11 0.00 2.03 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 2.27 2.53 0.00 52 P 0.00 4.58 0.00 2.40 2.03 0.00 4.02 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 1.99 1.92 0.00 53 A 8.57 4.24 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 54 R 7.77 5.10 0.00 1.62 1.72 0.00 3.18 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 55 V 7.88 4.32 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 -0.08 0.00 0.00 -0.64 0.00 0.00 56 R 8.30 4.89 0.00 1.73 1.62 0.00 3.05 0.00 0.00 3.30 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 57 C 8.74 5.34 0.00 3.35 2.88 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 0.00 0.00 0.00 58 S 8.98 5.57 0.00 3.64 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 59 H 9.42 5.66 0.00 3.71 3.80 0.00 5.22 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 9.32 4.93 0.00 1.27 1.43 0.44 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.74 4.98 0.00 1.73 1.43 0.78 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 62 V 9.07 4.63 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 1.00 0.00 0.00 1.10 0.00 0.00 63 K 9.06 4.73 0.00 1.74 1.66 0.00 1.69 0.00 0.00 1.88 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.63 1.33 7.81 64 H 8.70 4.97 0.00 3.39 3.40 0.00 5.46 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.91 4.11 0.00 4.00 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 0.00 66 Q 8.12 4.47 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.96 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 67 S 7.82 4.39 0.00 3.84 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 68 R 8.88 4.02 0.00 1.86 2.09 0.00 3.01 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 69 R 7.47 4.41 0.00 1.72 1.82 0.00 3.24 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 70 P 0.00 4.63 0.00 2.24 2.20 0.00 3.76 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 71 S 7.32 4.93 0.00 3.79 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 72 S 9.01 4.61 0.00 3.97 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 73 W 8.78 4.34 0.00 3.54 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 74 R 6.78 3.42 0.00 1.32 1.45 0.00 2.84 0.00 0.00 2.93 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 75 Q 7.71 4.33 0.00 1.93 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.22 0.00 76 E 9.05 3.88 0.00 1.96 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 2.29 2.30 0.00 77 K 7.77 4.53 0.00 1.69 1.64 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.40 7.81 78 I 8.47 4.30 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.61 0.87 0.00 0.00 79 T 8.29 4.51 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 1.25 0.00 0.00 80 R 7.85 4.13 0.00 2.07 2.09 0.00 3.12 0.00 0.00 3.36 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 81 T 9.13 4.36 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 1.21 0.00 0.00 82 K 8.65 3.62 0.00 1.57 1.82 0.00 1.72 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.45 7.81 83 E 8.09 3.99 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 2.36 2.40 0.00 84 E 8.32 3.96 0.00 2.29 1.94 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 2.29 2.30 0.00 85 A 8.28 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 8.03 3.85 0.00 1.88 1.86 0.99 0.93 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 87 E 8.20 3.89 0.00 1.94 1.90 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 2.47 2.45 0.00 88 L 7.73 3.50 0.00 1.68 1.25 0.83 0.60 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 89 I 7.64 3.72 1.93 0.00 0.00 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 1.60 0.92 0.90 0.00 0.00 90 N 8.42 4.44 0.00 2.80 2.83 0.00 0.00 6.97 8.22 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 91 G 7.99 3.50 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 0.00 0.00 0.00 0.00 92 Y 7.62 4.44 0.00 3.21 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 93 I 8.26 3.82 2.07 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 1.63 0.82 0.98 0.00 0.00 94 Q 8.18 4.02 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 95 K 8.18 4.05 0.00 2.07 1.94 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.65 7.81 96 I 8.07 4.32 2.12 0.00 0.00 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 1.63 2.16 1.08 0.00 0.00 97 K 8.56 4.15 0.00 1.81 1.94 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.14 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.65 7.81 98 S 8.30 4.37 0.00 4.05 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 99 G 7.79 3.99 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 0.00 0.00 0.00 100 E 7.96 4.12 0.00 2.02 2.17 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 2.37 2.32 0.00 101 E 8.41 4.81 0.00 2.05 1.80 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 2.29 2.47 0.00 102 D 8.23 5.13 0.00 3.12 2.84 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 0.00 103 F 8.71 3.94 0.00 3.29 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 0.00 104 E 8.54 4.07 0.00 2.17 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 2.50 2.67 0.00 105 S 7.95 4.00 0.00 3.94 3.99 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 0.00 106 L 7.71 3.88 0.00 1.44 1.35 0.98 0.82 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 0.00 107 A 8.22 3.76 1.18 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 0.00 0.00 108 S 8.03 4.23 0.00 3.89 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 0.00 109 Q 7.54 3.84 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.73 0.00 0.00 0.00 0.00 0.00 2.06 2.24 0.00 110 F 7.78 5.00 0.00 2.74 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 0.00 111 S 8.08 4.38 0.00 3.84 3.98 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 0.00 112 D 9.03 4.53 0.00 2.70 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 0.00 113 C 7.77 4.71 0.00 3.01 2.83 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 0.00 114 S 8.76 4.11 0.00 4.05 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.33 4.19 0.00 4.26 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 0.00 116 A 8.22 3.96 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 K 7.67 3.86 0.00 1.61 1.70 0.00 1.20 0.00 0.00 1.22 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.31 7.81 118 A 7.97 4.69 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 0.00 119 R 7.98 3.84 0.00 2.05 2.09 0.00 3.18 0.00 0.00 3.10 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 120 G 8.21 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 D 7.93 4.82 0.00 2.70 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 0.00 122 L 8.81 4.39 0.00 2.02 1.73 0.81 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.49 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 0.00 0.00 0.00 0.00 124 A 8.33 4.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 8.69 5.25 0.00 3.30 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 0.00 126 S 9.23 5.47 0.00 4.01 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 R 8.26 4.12 0.00 1.57 1.72 0.00 2.85 0.00 0.00 3.06 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.50 0.00 128 G 9.14 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 0.00 129 Q 7.99 4.43 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.60 0.00 130 M 7.63 4.38 0.00 1.77 1.98 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.92 0.00 131 Q 8.38 4.00 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.88 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 132 K 8.78 4.05 0.00 1.79 1.90 0.00 1.70 0.00 0.00 1.96 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.50 7.81 133 P 0.00 4.21 0.00 2.35 2.19 0.00 3.69 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 2.20 2.20 0.00 134 F 8.18 3.84 0.00 3.07 3.12 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 0.00 135 E 8.84 4.35 0.00 2.24 2.20 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 2.46 2.71 0.00 136 D 8.74 4.42 0.00 2.74 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.00 4.05 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 0.00 138 S 8.29 3.92 0.00 4.26 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 F 8.48 4.18 0.00 3.12 3.12 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 0.00 140 A 7.58 4.39 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 0.00 141 L 6.71 4.29 0.00 1.74 1.55 0.84 0.89 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 0.00 142 R 8.86 4.29 0.00 1.90 1.84 0.00 3.13 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 143 T 8.18 3.99 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 1.20 0.00 0.00 144 G 9.12 3.90 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 0.00 0.00 0.00 145 E 8.03 4.50 0.00 2.10 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 2.29 2.32 0.00 146 M 8.42 5.17 0.00 2.09 1.89 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.61 0.00 147 S 8.97 4.35 0.00 4.01 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 0.00 148 G 8.06 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 0.00 0.00 0.00 0.00 149 P 0.00 4.57 0.00 1.99 1.87 0.00 3.73 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 2.10 2.18 0.00 150 V 8.73 4.53 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 0.90 0.00 0.00 0.94 0.00 0.00 151 F 9.25 5.35 0.00 2.93 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 0.00 152 T 9.16 4.87 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 1.36 0.00 0.00 153 D 8.64 4.57 0.00 2.76 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 0.00 154 S 7.94 4.35 0.00 3.97 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 0.00 155 G 6.58 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 0.00 156 I 8.23 4.81 1.70 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.94 0.36 0.00 0.00 157 H 9.45 5.59 0.00 3.10 3.43 0.00 5.58 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 I 8.82 4.88 2.11 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.90 1.24 0.00 0.00 159 I 9.00 5.03 1.70 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.67 0.69 0.00 0.00 160 L 8.90 4.75 0.00 0.30 0.48 0.75 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 161 R 8.62 4.61 0.00 1.79 1.82 0.00 3.05 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 162 T 8.89 4.32 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 163 E 7.63 4.14 0.00 1.88 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 2.24 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.