NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.6304 0.0000 0.0000 62.8282 33.6346 174.3427 2 I 4.3959 8.2135 120.6534 58.7669 39.4907 174.1351 *12 H 4.6691 9.5607 127.0836 56.3014 30.6837 172.1748 13 Q 4.2806 8.3014 124.5445 54.4593 29.9126 176.2548 14 A 4.1130 8.0752 123.4213 51.3027 19.2669 177.4939 15 I 3.5927 8.2628 120.7219 61.6364 38.5892 176.5205 16 S 4.4874 8.4307 122.3931 57.3390 65.4236 173.4708 17 P 4.3455 0.0000 0.0000 66.3232 31.0910 179.9393 18 R 3.9156 7.9320 118.9377 61.7687 29.4093 180.6536 19 T 4.0998 7.5941 116.7102 66.7632 68.4981 176.5048 20 L 4.1334 8.0264 120.1931 58.0697 41.6532 179.4285 21 C 4.1491 8.5182 117.0692 62.8904 28.1022 175.6806 22 C 4.0579 8.5115 120.6169 62.2746 31.1940 175.1101 23 W 4.4853 8.5813 130.3509 60.7701 30.2104 178.1028 24 V 3.1178 8.0227 117.8148 65.6432 31.0399 177.4510 25 K 3.6946 7.9962 119.5602 59.8020 31.9353 178.5289 26 V 3.4500 8.0575 118.3160 66.1072 31.2171 178.2242 27 V 3.0273 6.8433 116.5157 66.0133 31.3058 177.1551 28 E 3.8816 8.0165 118.5250 58.8985 28.9689 178.6904 29 E 3.9342 8.1517 119.5423 59.9526 30.0717 179.3005 30 K 4.0957 8.2176 115.7202 56.4062 33.6107 178.8017 31 A 3.1550 6.8220 122.2912 53.3834 18.4999 178.5097 32 F 4.5582 8.3591 112.3136 58.7607 39.7254 175.1164 33 S 4.2914 7.8152 115.1201 57.9128 63.1111 173.1426 34 P 4.3960 0.0000 0.0000 65.2629 31.0318 178.4370 35 E 4.1632 8.1558 115.5663 58.3085 29.6219 178.6977 36 V 3.6736 7.8954 120.0302 66.1552 31.3921 178.0256 37 I 3.8663 7.7091 119.6489 63.9000 37.0340 176.6681 38 P 4.3855 0.0000 0.0000 65.7676 31.0320 178.1263 39 M 4.0428 8.0228 118.0269 58.5006 31.9767 177.7992 40 F 3.9838 8.5007 119.9215 61.4002 39.8849 176.8453 41 S 4.0363 8.2841 114.4155 61.6673 62.4594 176.7102 42 A 3.9700 7.9095 122.0431 55.0135 18.2227 179.2845 43 L 4.1305 7.9497 116.1695 56.1583 42.0020 177.9715 44 S 4.3912 7.0154 113.1310 57.3799 63.1843 173.4798 45 E 3.9290 8.0977 120.6174 58.6431 29.4765 177.2691 46 G 3.8020 8.9282 110.6308 45.8051 0.0000 172.8038 47 A 4.3603 7.5788 123.2534 51.7701 19.1166 178.4465 48 T 4.2286 8.6409 112.8271 60.4468 71.3312 174.3857 49 P 4.5378 0.0000 0.0000 65.8126 31.2529 178.7749 50 Q 3.9834 8.4044 118.3822 59.3527 29.0389 177.8585 51 D 4.3916 8.1008 119.8953 57.6156 40.8207 179.0298 52 L 3.9257 8.0453 119.2479 57.7734 41.4803 179.3217 53 N 4.4540 8.5780 116.6750 56.5827 38.5510 177.5400 54 T 3.8788 8.0295 117.1521 66.8591 68.3231 176.3624 55 M 4.1189 7.8397 119.3218 58.6286 32.1506 178.6274 56 L 4.3908 8.1909 118.9381 57.9986 41.6612 179.3166 57 N 4.5205 9.0729 116.1022 55.6410 38.5522 176.5793 58 T 4.3560 7.7517 109.2486 61.1205 69.7287 175.2316 59 V 3.6291 7.3576 123.3585 62.9697 32.0936 175.1179 60 G 4.0050 8.5083 115.8875 44.7481 0.0000 174.8464 61 G 3.7040 8.4532 111.6309 45.8902 0.0000 172.1640 62 H 4.2697 8.3650 111.4944 56.7155 26.5219 177.0807 63 Q 4.0681 8.0451 119.2270 58.6347 28.7996 177.7252 64 A 3.9971 8.1892 121.5166 55.3253 18.4069 179.4125 65 A 3.8503 8.0249 118.5962 55.5690 18.5072 179.6608 66 M 4.1149 8.2680 117.2028 58.1907 31.9546 178.8986 67 Q 3.9476 8.4546 120.4791 59.4635 29.2315 177.9023 68 M 4.0520 8.1858 119.8203 58.3018 31.8557 178.5922 69 L 3.8880 7.9394 120.5568 57.8014 42.1964 178.7239 70 K 3.9113 8.0326 119.6719 59.7323 32.0438 178.4730 71 E 3.9535 8.2662 118.6042 59.7721 29.4027 179.4663 72 T 3.8249 8.1078 115.7942 66.6699 68.5105 176.6357 73 I 3.8087 8.0048 121.7341 64.5269 37.1802 178.1390 74 N 4.2736 8.4606 117.5439 56.5042 38.3869 177.3300 75 E 3.8969 8.4212 120.1982 59.4326 29.4424 179.3275 76 E 3.5728 7.9794 118.3807 58.6420 29.3040 179.2209 77 A 3.4246 7.2352 120.6271 54.9140 18.4890 179.3053 78 A 3.9331 7.6842 119.2904 55.4893 18.1745 179.4888 79 E 3.8337 7.7685 116.4748 59.0032 29.8552 178.3765 80 W 4.3194 8.3521 128.5852 60.6043 30.8910 177.5745 81 D 4.4676 8.4133 118.6513 57.7161 40.1276 178.8650 82 R 3.9113 7.6615 116.9153 58.9568 30.1657 178.0954 83 L 4.4203 7.1547 115.6002 54.5023 43.3575 177.4169 84 H 4.6575 7.2947 115.5892 54.0706 30.7384 171.2875 85 P 4.5664 0.0000 0.0000 61.2110 32.6702 177.5349 86 V 3.8149 8.1690 118.6491 62.1236 31.5381 175.5522 87 H 4.2384 9.1017 123.5807 55.9463 30.3006 174.8831 88 A 4.1528 7.9762 129.2474 52.4179 19.3273 176.4901 89 G 3.8062 8.5787 105.7039 43.6149 0.0000 171.5151 90 P 4.4582 0.0000 0.0000 62.3517 32.0845 175.8745 91 I 4.2208 7.9990 119.8626 59.2787 37.3053 175.9119 92 A 4.1519 8.4739 128.7112 51.5086 18.8372 174.9780 93 P 4.2998 0.0000 0.0000 63.8025 31.9867 177.0060 94 G 4.1609 8.7890 109.9407 45.9730 0.0000 174.2290 95 Q 4.4631 7.2651 116.5735 55.2988 29.7579 174.1625 96 M 4.8296 7.9962 115.8474 53.4287 34.3856 174.5340 97 R 4.2772 8.3951 115.1207 56.1168 30.1976 175.6844 98 E 4.4002 8.5484 118.4485 54.8969 30.3865 174.9815 99 P 4.1170 0.0000 0.0000 62.4123 32.3139 177.2309 100 R 4.7075 9.9085 123.0312 54.7433 33.1779 177.6026 101 G 3.7900 9.2808 106.2377 48.5982 0.0000 176.1198 102 S 4.2444 8.0621 116.2106 60.6740 63.1433 175.9959 103 D 4.4005 7.8161 122.7177 57.2405 40.2701 178.6091 104 I 3.3670 7.2378 119.0402 63.6250 37.1779 177.1537 105 A 2.5800 7.3701 118.4264 50.8420 18.4059 177.6872 106 G 3.8705 7.1565 105.0896 46.7278 0.0000 175.2848 107 T 4.1885 7.8214 111.8865 63.1227 69.3672 175.8413 108 T 4.5904 7.8719 109.4719 60.7345 69.1002 173.4956 109 S 4.9921 7.7976 115.0335 56.6734 66.2442 173.8190 110 T 4.4286 8.7823 112.5180 60.3747 71.4274 175.4144 111 L 3.8445 8.4539 123.7854 58.8107 41.8170 179.5589 112 Q 3.8470 7.8602 116.9782 58.9828 28.7145 178.3435 113 E 3.3021 8.1528 119.8176 59.2571 29.3517 179.4571 114 Q 4.3179 8.1158 118.1196 59.1744 28.8022 179.0712 115 I 3.7800 7.9813 121.0336 64.1571 37.1164 178.2921 116 G 3.6440 8.1014 106.9344 48.0577 0.0000 175.6398 117 W 4.4058 8.2669 122.2713 59.5167 28.8795 178.6118 118 M 4.3963 8.2025 117.8143 57.3453 31.5699 177.7310 119 T 4.4642 7.6572 107.4251 60.6977 69.8005 174.0997 120 H 4.1042 7.6810 122.5369 56.5820 30.4274 173.2689 121 N 4.9859 7.8780 120.1662 50.7423 40.5676 172.2931 122 P 4.5305 0.0000 0.0000 61.7090 32.2982 174.4302 123 P 4.5704 0.0000 0.0000 62.1201 32.0893 176.1967 124 I 4.2481 8.4879 122.9796 59.6106 37.3335 175.2301 125 P 4.5944 0.0000 0.0000 61.4570 28.6619 176.5828 126 V 3.3564 7.6834 119.1812 64.8849 31.8981 177.5411 127 G 3.8948 8.0352 106.3234 47.4852 0.0000 175.2752 128 E 3.9211 7.9959 120.9461 58.6508 29.5881 179.5948 129 I 3.3864 7.4884 119.8306 64.2850 37.0683 177.6154 130 Y 3.5611 7.7266 120.6301 60.4942 38.4994 177.9313 131 K 3.7857 8.1509 120.7094 59.9243 32.2350 178.7853 132 R 4.0584 8.0688 118.0167 59.0281 29.9366 179.1658 133 W 4.4747 7.8555 118.3983 59.8105 29.0204 178.6326 134 I 3.6484 8.0567 119.9343 64.5395 36.4868 178.5571 135 I 3.6392 8.1327 121.0054 64.1636 36.7276 178.2535 136 L 4.0569 8.1105 121.4177 58.0564 42.0417 179.2903 137 G 3.5795 8.1761 105.6331 47.7762 0.0000 175.6161 138 L 3.8901 8.1713 122.0044 57.5120 41.6366 179.1562 139 N 4.3008 8.3018 116.4891 56.4898 38.5265 177.5575 140 K 3.9743 7.7709 119.6879 59.5618 32.0632 179.5707 141 I 3.6517 7.5575 119.8603 64.1361 37.0261 178.6132 142 V 3.7357 8.0891 119.6191 66.1510 31.1477 178.1512 143 R 4.0473 7.8503 117.2426 59.5661 29.9429 178.1097 144 M 4.2618 7.9270 118.0407 58.4136 32.1355 177.7996 145 Y 4.3309 8.3094 114.9580 58.9763 39.4610 176.2478 146 S 4.6611 7.4975 112.7246 55.9563 62.3576 171.2098 147 P 4.5010 0.0000 0.0000 63.9281 32.4934 177.8476 148 T 3.8067 7.9049 115.6809 63.9653 68.9418 173.7470 149 S 4.4679 8.6071 120.2802 57.5891 63.5519 174.4484 150 I 3.4761 7.9300 124.2215 64.0229 37.8251 178.2742 151 L 4.0451 7.8865 118.9149 57.4786 41.4927 177.3862 152 D 4.6029 7.7383 115.8574 54.2078 41.0714 176.4978 153 I 4.2430 7.4586 121.6493 60.5827 36.6355 175.3168 154 R 4.9792 8.2629 123.6954 53.8543 33.8712 175.3510 155 Q 3.8950 8.1152 124.9331 55.7569 29.0637 176.3936 156 G 3.9719 9.6048 114.5955 45.8216 0.0000 172.7144 157 P 4.3773 0.0000 0.0000 65.2732 31.5567 178.0232 158 K 4.4439 7.7591 116.8916 53.7058 32.9135 178.6413 159 E 4.1704 7.6119 119.4660 56.0654 30.2006 175.3353 160 P 4.4213 0.0000 0.0000 63.0051 33.3488 177.1785 161 F 4.4272 8.9661 122.6495 61.3814 39.2701 177.6514 162 R 3.8149 8.0624 118.0802 59.4459 30.0297 177.9252 163 D 4.3654 8.1425 118.2466 57.6867 40.7649 178.1389 164 Y 4.2362 7.9110 119.4701 60.6705 38.7925 178.0797 165 V 2.9856 7.5942 119.2233 65.6376 31.4571 177.7833 166 D 4.3961 8.2264 119.0749 57.4400 40.6175 178.9673 167 R 3.8926 8.0647 118.5132 59.0530 30.0836 178.6568 168 F 3.7668 8.1062 120.6770 61.7751 39.3372 176.8864 169 Y 4.1230 8.1593 115.8421 60.2380 37.6179 177.9557 170 K 3.9133 8.3064 121.0691 59.9036 32.1237 178.8137 171 T 3.8004 7.8521 114.7657 66.7460 68.5280 176.2003 172 L 3.9650 7.6949 120.7166 57.6822 41.5807 179.6781 173 R 3.9036 7.9427 118.4282 59.2819 29.9038 178.2659 174 A 4.1323 8.1573 119.6022 54.4799 18.3152 178.3095 175 E 4.2947 7.4780 115.2746 55.1399 31.0133 176.3583 176 Q 3.1341 7.9629 117.2669 56.8021 26.7007 174.6428 177 A 4.1308 7.5393 120.7373 51.5659 19.7554 178.7365 178 S 4.2926 8.5744 117.9209 58.5254 65.0188 175.4520 179 Q 4.0168 8.8678 126.1430 59.9441 28.6271 179.4345 180 E 3.9891 8.1278 118.9707 61.1935 29.8407 182.3916 181 V 3.8536 7.7837 121.6826 66.2925 31.5100 178.9468 182 K 4.0536 8.3722 123.6058 59.8647 31.5185 180.9748 183 N 4.5981 8.3621 117.8638 56.1516 38.4341 177.3924 184 A 4.0034 8.3980 122.1951 55.1975 18.4675 179.5970 185 A 4.0543 8.4094 119.4614 55.3217 18.5355 180.0916 186 T 3.9825 8.4066 116.9273 67.5643 68.4298 177.2901 187 E 4.1201 8.2687 119.0321 62.1812 29.6758 180.5388 188 T 4.4262 8.3171 117.3593 65.8132 68.5458 177.1553 189 L 4.0383 8.5602 121.5837 57.5497 41.7238 179.5360 190 L 3.3271 7.3036 119.1237 57.8619 42.3629 178.6642 191 V 3.8633 7.8807 119.9864 66.9118 31.3281 178.2141 192 Q 4.1020 7.3408 118.6498 59.9007 28.0897 179.1117 193 N 4.9623 7.9443 114.9521 52.5933 39.1605 174.9588 194 A 4.0379 7.6590 122.2518 51.5118 19.1406 178.2393 195 N 4.4791 8.8598 119.1370 52.2183 39.2610 174.7033 196 P 4.1478 0.0000 0.0000 65.8708 31.4216 178.3643 197 D 4.3527 8.1110 117.0459 57.9226 40.6949 178.7956 198 C 3.9732 8.4882 116.7721 62.6273 28.1625 175.9131 199 K 3.7824 8.6915 121.7639 59.9367 31.6951 178.8701 200 T 3.7993 8.0354 115.7064 66.8060 68.2546 176.4876 201 I 3.6357 7.3609 120.3421 64.8422 37.2474 178.0808 202 L 4.0991 8.0574 119.6284 57.3052 41.4533 179.5646 203 K 3.9389 8.1135 118.3392 59.5453 31.8346 178.9108 204 A 3.9803 7.6237 119.3557 55.5480 18.2175 179.4444 205 L 4.0448 7.3776 116.3480 55.0824 41.8009 178.6166 206 G 4.0126 7.7241 104.9329 44.0978 0.0000 171.2950 207 P 4.3527 0.0000 0.0000 63.4217 31.8275 177.1489 208 G 3.8423 8.8096 106.7164 45.8331 0.0000 173.5095 209 A 4.3055 7.7916 122.8915 51.6111 19.0318 179.0741 210 T 4.1746 8.9345 114.4500 61.2388 70.9218 175.5783 211 L 3.9780 8.4380 123.3640 58.1649 42.0103 178.6208 212 E 3.9432 8.2583 118.8711 59.5452 29.4406 178.5866 213 E 3.9662 8.2953 118.2434 59.8567 29.3408 179.3955 214 M 4.0274 8.0842 117.4999 58.6366 31.7823 178.4642 215 M 4.5981 8.5527 119.3395 58.4407 32.0292 178.9017 216 T 3.8827 8.3201 116.1391 66.7120 68.4691 176.4257 217 A 4.0346 8.0572 121.3634 54.6331 18.3344 178.4645 218 C 4.4782 7.2675 111.8235 59.4404 28.6029 173.9776 219 Q 4.2244 7.7585 125.0233 56.4035 28.5050 175.6085 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 P 0.00 4.63 0.00 2.07 2.19 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.93 0.00 2 I 8.21 4.40 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.85 0.91 0.00 0.00 *12 H 9.56 4.67 0.00 3.17 3.29 0.00 5.72 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.30 4.28 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 14 A 8.08 4.11 1.22 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 0.00 0.00 15 I 8.26 3.59 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.79 0.91 0.00 0.00 16 S 8.43 4.49 0.00 4.07 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 17 P 0.00 4.35 0.00 2.18 2.15 0.00 3.60 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 2.11 2.15 0.00 18 R 7.93 3.92 0.00 1.81 1.93 0.00 3.28 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.29 0.00 19 T 7.59 4.10 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 20 L 8.03 4.13 0.00 1.88 1.78 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 21 C 8.52 4.15 0.00 3.14 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 22 C 8.51 4.06 0.00 2.98 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 23 W 8.58 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 24 V 8.02 3.12 2.16 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 0.87 0.00 0.00 1.05 0.00 0.00 25 K 8.00 3.69 0.00 1.94 2.04 0.00 1.82 0.00 0.00 1.51 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.47 7.81 26 V 8.06 3.45 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 0.83 0.00 0.00 0.96 0.00 0.00 27 V 6.84 3.03 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 0.39 0.00 0.00 -0.55 0.00 0.00 28 E 8.02 3.88 0.00 2.09 1.83 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 2.34 2.43 0.00 29 E 8.15 3.93 0.00 1.87 1.98 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 2.31 2.26 0.00 30 K 8.22 4.10 0.00 1.77 1.73 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.29 7.81 31 A 6.82 3.16 1.08 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 0.00 0.00 32 F 8.36 4.56 0.00 2.33 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 7.82 4.29 0.00 3.99 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 34 P 0.00 4.40 0.00 2.22 2.11 0.00 3.67 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 35 E 8.16 4.16 0.00 2.18 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 2.36 2.31 0.00 36 V 7.90 3.67 2.21 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 1.18 0.00 0.00 0.76 0.00 0.00 37 I 7.71 3.87 1.93 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 1.63 0.73 0.98 0.00 0.00 38 P 0.00 4.39 0.00 2.29 2.34 0.00 3.92 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 2.26 2.05 0.00 39 M 8.02 4.04 0.00 2.49 2.25 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.72 0.00 40 F 8.50 3.98 0.00 3.20 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 41 S 8.28 4.04 0.00 4.08 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 42 A 7.91 3.97 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 43 L 7.95 4.13 0.00 1.45 1.59 1.18 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.02 4.39 0.00 3.42 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.10 3.93 0.00 1.89 1.89 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 2.37 2.20 0.00 46 G 8.93 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 0.00 0.00 0.00 47 A 7.58 4.36 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.64 4.23 4.43 0.00 0.00 0.00 0.00 0.00 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 49 P 0.00 4.54 0.00 2.29 2.25 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 50 Q 8.40 3.98 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 51 D 8.10 4.39 0.00 2.80 2.65 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 52 L 8.05 3.93 0.00 1.85 1.47 0.86 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.58 4.45 0.00 2.95 2.96 0.00 0.00 7.01 6.99 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 54 T 8.03 3.88 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 1.25 0.00 0.00 55 M 7.84 4.12 0.00 1.30 2.09 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.21 0.00 56 L 8.19 4.39 0.00 1.78 1.81 0.90 0.60 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 57 N 9.07 4.52 0.00 2.71 2.95 0.00 0.00 7.07 5.16 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 58 T 7.75 4.36 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 1.32 0.00 0.00 59 V 7.36 3.63 2.31 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 0.80 0.00 0.00 1.05 0.00 0.00 60 G 8.51 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 0.00 0.00 0.00 61 G 8.45 3.70 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 0.00 0.00 0.00 62 H 8.36 4.27 0.00 3.50 3.62 0.00 5.62 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.05 4.07 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 64 A 8.19 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.02 3.85 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 66 M 8.27 4.11 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 3.07 0.00 67 Q 8.45 3.95 0.00 2.32 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 68 M 8.19 4.05 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.54 0.00 69 L 7.94 3.89 0.00 1.84 1.86 0.86 0.65 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 70 K 8.03 3.91 0.00 2.07 2.05 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.54 7.81 71 E 8.27 3.95 0.00 2.20 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 72 T 8.11 3.82 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 73 I 8.00 3.81 2.14 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.92 1.20 0.00 0.00 74 N 8.46 4.27 0.00 2.82 2.84 0.00 0.00 7.08 7.42 0.00 0.00 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 E 8.42 3.90 0.00 1.88 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.50 0.00 76 E 7.98 3.57 0.00 1.16 1.12 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 2.31 2.18 0.00 77 A 7.24 3.42 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 78 A 7.68 3.93 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 79 E 7.77 3.83 0.00 1.94 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 2.30 2.37 0.00 80 W 8.35 4.32 0.00 3.78 3.38 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 81 D 8.41 4.47 0.00 2.98 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 7.66 3.91 0.00 1.94 1.97 0.00 3.12 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 83 L 7.15 4.42 0.00 1.24 1.43 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 84 H 7.29 4.66 0.00 2.39 2.92 0.00 5.85 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 85 P 0.00 4.57 0.00 2.16 2.03 0.00 3.70 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.90 0.00 86 V 8.17 3.81 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 0.72 0.00 0.00 0.99 0.00 0.00 87 H 9.10 4.24 0.00 3.14 3.26 0.00 5.75 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 88 A 7.98 4.15 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 89 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 90 P 0.00 4.46 0.00 2.21 2.08 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 91 I 8.00 4.22 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 1.40 0.66 0.99 0.00 0.00 92 A 8.47 4.15 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.30 0.00 2.06 2.00 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 94 G 8.79 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 95 Q 7.27 4.46 0.00 2.40 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.61 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 96 M 8.00 4.83 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 97 R 8.40 4.28 0.00 2.09 2.10 0.00 3.17 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.08 0.00 98 E 8.55 4.40 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 99 P 0.00 4.12 0.00 1.31 0.49 0.00 3.60 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.09 0.00 100 R 9.91 4.71 0.00 1.83 2.16 0.00 3.43 0.00 0.00 3.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 101 G 9.28 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 0.00 102 S 8.06 4.24 0.00 4.06 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 D 7.82 4.40 0.00 2.61 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 0.00 104 I 7.24 3.37 1.50 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 0.79 -0.10 -0.29 0.00 0.00 105 A 7.37 2.58 1.09 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 0.00 106 G 7.16 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 0.00 0.00 0.00 107 T 7.82 4.19 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 108 T 7.87 4.59 4.28 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 1.23 0.00 0.00 109 S 7.80 4.99 0.00 4.22 4.28 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 0.00 110 T 8.78 4.43 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 1.21 0.00 0.00 111 L 8.45 3.84 0.00 1.74 1.68 0.83 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 7.86 3.85 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 113 E 8.15 3.30 0.00 1.73 1.12 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 1.80 2.05 0.00 114 Q 8.12 4.32 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.56 2.67 0.00 115 I 7.98 3.78 1.92 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.73 0.87 0.00 0.00 116 G 8.10 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 W 8.27 4.41 0.00 3.42 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 0.00 118 M 8.20 4.40 0.00 2.04 2.22 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 2.80 2.56 0.00 119 T 7.66 4.46 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 1.22 0.00 0.00 120 H 7.68 4.10 0.00 3.47 3.42 0.00 5.52 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 N 7.88 4.99 0.00 2.63 2.60 0.00 0.00 7.03 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 0.00 122 P 0.00 4.53 0.00 2.26 2.07 0.00 3.92 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 2.06 1.99 0.00 123 P 0.00 4.57 0.00 2.24 2.27 0.00 3.38 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 124 I 8.49 4.25 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.72 0.81 0.00 0.00 125 P 0.00 4.59 0.00 2.21 2.19 0.00 3.67 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 126 V 7.68 3.36 1.84 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 0.28 0.00 0.00 1.01 0.00 0.00 127 G 8.04 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.00 3.92 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 129 I 7.49 3.39 1.36 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.82 0.00 0.00 0.00 130 Y 7.73 3.56 0.00 2.78 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 0.00 131 K 8.15 3.79 0.00 2.01 1.88 0.00 1.50 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.52 1.47 7.81 132 R 8.07 4.06 0.00 2.04 2.09 0.00 3.24 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 133 W 7.86 4.47 0.00 3.66 3.19 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 0.00 134 I 8.06 3.65 1.82 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.34 0.22 0.00 0.00 135 I 8.13 3.64 1.97 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.80 0.95 0.00 0.00 136 L 8.11 4.06 0.00 1.90 2.01 0.94 0.90 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 0.00 137 G 8.18 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.17 3.89 0.00 1.72 1.72 0.50 0.59 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 0.00 139 N 8.30 4.30 0.00 2.90 3.00 0.00 0.00 7.07 7.12 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 0.00 140 K 7.77 3.97 0.00 1.86 1.82 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.46 7.81 141 I 7.56 3.65 1.54 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.62 -0.08 0.00 0.00 142 V 8.09 3.74 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.04 0.00 0.00 143 R 7.85 4.05 0.00 1.98 2.05 0.00 3.31 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 144 M 7.93 4.26 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.58 0.00 145 Y 8.31 4.33 0.00 3.01 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 0.00 146 S 7.50 4.66 0.00 3.88 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 P 0.00 4.50 0.00 2.20 2.15 0.00 3.84 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 148 T 7.90 3.81 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 0.00 149 S 8.61 4.47 0.00 3.83 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 0.00 150 I 7.93 3.48 1.62 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.57 0.79 0.00 0.00 151 L 7.89 4.05 0.00 1.67 1.73 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 152 D 7.74 4.60 0.00 2.69 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 0.00 153 I 7.46 4.24 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.65 1.07 0.00 0.00 154 R 8.26 4.98 0.00 1.65 1.76 0.00 3.23 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 155 Q 8.12 3.90 0.00 0.93 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.89 0.00 0.00 0.00 0.00 0.00 2.25 2.20 0.00 156 G 9.60 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 0.00 157 P 0.00 4.38 0.00 2.18 2.18 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 158 K 7.76 4.44 0.00 1.77 1.71 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.26 0.95 7.81 159 E 7.61 4.17 0.00 2.00 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 2.41 2.34 0.00 160 P 0.00 4.42 0.00 2.26 2.03 0.00 3.79 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 2.30 2.20 0.00 161 F 8.97 4.43 0.00 3.12 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 R 8.06 3.81 0.00 1.97 1.94 0.00 3.26 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 163 D 8.14 4.37 0.00 2.91 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 0.00 164 Y 7.91 4.24 0.00 3.23 3.01 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 0.00 165 V 7.59 2.99 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 0.99 0.00 0.00 0.11 0.00 0.00 166 D 8.23 4.40 0.00 2.93 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 0.00 167 R 8.06 3.89 0.00 1.99 1.99 0.00 3.19 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 168 F 8.11 3.77 0.00 2.55 2.65 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 0.00 169 Y 8.16 4.12 0.00 3.16 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 0.00 170 K 8.31 3.91 0.00 1.91 2.09 0.00 1.55 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.54 7.81 171 T 7.85 3.80 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 1.12 0.00 0.00 172 L 7.69 3.97 0.00 1.75 1.69 0.82 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 173 R 7.94 3.90 0.00 2.11 2.04 0.00 3.14 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 174 A 8.16 4.13 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 0.00 175 E 7.48 4.29 0.00 1.85 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 2.25 2.48 0.00 176 Q 7.96 3.13 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 177 A 7.54 4.13 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 0.00 178 S 8.57 4.29 0.00 4.07 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 0.00 179 Q 8.87 4.02 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.68 6.95 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 180 E 8.13 3.99 0.00 2.01 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 2.31 1.94 0.00 181 V 7.78 3.85 2.21 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 0.99 0.00 0.00 0.94 0.00 0.00 182 K 8.37 4.05 0.00 1.79 1.80 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.35 7.81 183 N 8.36 4.60 0.00 2.94 2.94 0.00 0.00 6.95 6.87 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 0.00 184 A 8.40 4.00 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 0.00 185 A 8.41 4.05 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 T 8.41 3.98 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 0.00 187 E 8.27 4.12 0.00 2.05 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 2.26 2.23 0.00 188 T 8.32 4.43 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 0.00 189 L 8.56 4.04 0.00 2.25 2.03 0.94 0.63 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 0.00 190 L 7.30 3.33 0.00 1.14 1.53 -0.52 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 191 V 7.88 3.86 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 0.98 0.00 0.00 0.97 0.00 0.00 192 Q 7.34 4.10 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 193 N 7.94 4.96 0.00 2.95 3.04 0.00 0.00 6.90 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 0.00 194 A 7.66 4.04 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 0.00 195 N 8.86 4.48 0.00 2.93 3.00 0.00 0.00 7.11 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 0.00 196 P 0.00 4.15 0.00 2.15 2.12 0.00 3.58 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 2.09 2.16 0.00 197 D 8.11 4.35 0.00 2.77 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 0.00 198 C 8.49 3.97 0.00 3.17 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 0.00 199 K 8.69 3.78 0.00 2.05 1.93 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.65 7.81 200 T 8.04 3.80 4.43 0.00 0.00 0.00 0.00 0.00 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 0.00 201 I 7.36 3.64 1.90 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 1.47 0.59 0.87 0.00 0.00 202 L 8.06 4.10 0.00 1.75 1.66 0.69 0.85 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 0.00 203 K 8.11 3.94 0.00 1.90 1.84 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.67 1.59 7.81 204 A 7.62 3.98 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 0.00 205 L 7.38 4.04 0.00 1.81 1.74 0.89 0.88 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 0.00 206 G 7.72 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 0.00 0.00 0.00 207 P 0.00 4.35 0.00 2.06 2.01 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 208 G 8.81 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 0.00 209 A 7.79 4.31 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 T 8.93 4.17 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 211 L 8.44 3.98 0.00 1.81 1.71 1.02 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 212 E 8.26 3.94 0.00 2.08 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 2.40 2.44 0.00 213 E 8.30 3.97 0.00 2.21 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 2.33 2.36 0.00 214 M 8.08 4.03 0.00 2.04 2.29 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.60 0.00 215 M 8.55 4.60 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.85 0.00 216 T 8.32 3.88 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 1.22 0.00 0.00 217 A 8.06 4.03 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 0.00 218 C 7.27 4.48 0.00 2.61 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 0.00 219 Q 7.76 4.22 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.55 0.00 0.00 0.00 0.00 0.00 2.58 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.