NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 A 4.3628 8.2493 123.5809 52.0343 18.8853 175.5002 21 K 4.3513 7.6792 119.5762 56.1411 35.4556 173.2358 22 N 4.7428 9.6775 118.5733 53.3551 40.6231 175.7978 23 I 4.6453 8.2525 123.4716 60.0009 39.6284 174.6138 24 V 4.6723 8.3868 126.2985 61.3083 34.0476 173.9499 25 Y 4.7437 8.4565 125.2363 56.8965 40.1243 174.7220 26 V 4.7728 8.3837 121.9369 61.1131 34.6996 174.1861 27 A 4.7776 8.9739 128.6382 50.2503 22.7004 174.9007 28 Q 4.7611 8.2506 117.8272 55.4809 31.5426 176.3435 29 I 4.4810 8.2341 119.4866 60.8163 40.2300 173.9159 30 K 5.2890 7.9113 127.4270 55.0820 34.4144 176.1950 31 G 3.9847 8.7071 110.4372 44.5137 0.0000 173.1633 32 Q 4.0504 8.3764 117.0319 56.3652 29.0692 176.7960 33 I 4.3525 8.2416 122.3547 60.3552 38.4769 175.1696 34 T 4.7952 8.8171 115.6705 59.1704 71.7214 174.3487 35 S 4.2291 8.6951 114.1847 61.4067 62.3327 175.1852 36 Y 4.0160 8.2676 122.7284 60.7065 38.4753 177.1808 37 T 4.2965 8.0961 116.6279 67.3244 68.6834 175.2552 38 Y 4.1427 8.3301 120.5035 61.1702 38.5894 177.8512 39 D 4.3521 8.3684 119.6734 57.5877 40.8911 178.8904 40 Q 3.5507 8.0782 118.2721 58.8668 28.6636 178.5652 41 F 3.8509 8.1672 118.0994 60.8516 38.9345 177.0939 42 D 4.1704 8.1984 117.5695 57.4277 40.8941 178.0640 43 R 3.7401 7.7835 118.9907 59.7056 30.1554 177.6482 44 Y 4.2826 7.6768 116.0574 61.6267 37.9213 178.9891 45 I 3.7644 8.2219 120.5062 64.8569 37.1970 178.8036 46 T 4.2352 7.9782 117.9199 66.0985 67.7965 176.5891 47 I 3.5268 8.1912 121.8021 64.4202 37.1668 177.8566 48 A 3.8340 7.7525 121.4225 55.4499 18.0130 179.3940 49 E 3.9143 8.3457 116.8421 59.8612 29.4396 179.6696 50 Q 4.2271 8.0999 115.6157 57.6699 28.7047 176.8029 51 D 4.8420 7.3134 117.3653 53.0282 42.0166 176.0272 52 N 4.1099 8.2028 115.3216 54.2452 36.1768 174.4078 53 A 4.3366 7.9164 120.9476 52.0021 19.6126 178.9700 54 E 4.0346 9.3835 121.4236 58.1186 30.2740 176.3765 55 A 4.5990 6.8334 120.1739 51.9757 23.6984 174.8072 56 I 5.0556 8.1015 118.3617 59.5996 41.8137 173.7892 57 I 4.9605 9.0935 129.8025 59.6338 39.9216 174.4745 58 I 4.7052 8.5208 127.4453 59.5011 39.7632 174.6891 59 E 4.5851 9.7511 129.3931 55.8415 30.3739 175.5856 60 L 4.8240 9.5600 128.6961 53.3254 44.6266 174.6321 61 D 4.7078 8.8184 126.5333 53.0364 43.7677 174.4615 62 T 4.8421 9.3117 124.0566 60.3443 69.7405 172.8229 63 P 4.1943 0.0000 0.0000 63.7150 32.7224 179.4704 64 G 3.6975 8.6532 105.5579 45.0468 0.0000 174.1324 65 G 3.2738 8.6529 113.4550 46.3462 0.0000 172.7095 66 R 3.2714 7.6068 112.5307 57.3067 27.7821 175.4436 67 A 4.6424 7.5837 129.4046 50.9880 22.3932 174.3668 68 D 4.2026 8.1089 111.3173 54.0740 42.5975 175.2980 69 A 4.4666 7.7310 129.8360 50.7380 22.1645 175.9456 *72 N 4.8054 8.8188 120.2836 53.6043 40.9923 177.1638 73 I 3.6967 7.6172 117.4441 64.3828 37.0684 178.5114 74 V 3.5767 7.7876 118.5408 66.2598 31.2620 177.7998 75 Q 4.0206 8.1599 117.1790 58.9073 28.3436 178.5676 76 R 3.9422 7.6820 118.5849 59.5274 30.4126 178.3830 77 I 3.8787 8.1102 119.7549 64.6820 36.9679 178.2071 78 Q 4.0504 8.0021 117.5402 59.1584 28.7134 178.6947 79 Q 4.2668 8.1875 116.0335 55.3209 29.5002 176.2765 80 S 4.3365 7.7557 115.6275 58.9508 62.8043 174.0202 81 K 4.4570 8.8407 124.7076 56.3380 32.2052 176.6145 82 I 4.6831 7.6119 111.7297 58.1185 40.8398 173.0814 83 P 3.8995 0.0000 0.0000 63.1088 32.1606 175.2036 84 V 4.8005 8.5998 122.7689 61.2640 34.4890 173.9060 85 I 4.8299 8.9341 129.5972 59.7862 39.2548 174.8549 86 I 4.5201 8.6690 129.3324 60.7880 38.5423 174.3538 87 Y 5.2010 9.1222 129.4146 55.8802 40.9501 175.0288 88 V 4.2715 8.8643 128.3757 62.0146 30.8658 174.2739 89 Y 4.7545 7.9332 126.9946 54.8396 42.3663 172.4037 90 P 3.1463 0.0000 0.0000 60.0839 32.8233 173.4929 91 P 4.2052 0.0000 0.0000 64.6623 31.3595 176.9820 92 G 3.8580 8.7997 111.6099 44.9603 0.0000 173.4190 93 A 4.5556 8.3408 122.3132 51.5971 20.1370 176.2842 94 S 4.7039 9.2469 112.6668 56.6450 66.2797 172.7811 95 A 4.9938 9.0345 128.9670 50.4600 20.2271 175.2028 96 A 4.6750 8.6130 123.1499 53.6401 22.4675 176.9594 97 S 3.6431 9.2518 117.2385 59.3466 63.1689 174.6258 98 A 4.1489 9.4146 131.4148 55.9539 18.5275 180.0353 99 G 3.5935 8.5147 104.8079 48.3415 0.0000 175.9783 100 T 3.8582 7.9906 112.6219 64.3326 68.3768 175.8369 101 Y 3.7085 8.0420 119.4982 60.9036 37.8060 177.6903 102 I 3.6561 7.5435 118.7990 64.6423 37.4809 177.8469 103 A 4.1486 8.3620 121.4684 55.3502 18.1090 179.5489 104 L 3.6587 8.1669 116.7030 57.0691 41.8698 179.0640 105 G 3.9401 7.6464 103.8344 43.7668 0.0000 173.7958 106 S 4.5869 8.1189 116.8500 57.2381 64.8409 174.0548 107 H 4.4438 8.3475 116.5858 58.7244 29.6161 175.8663 108 L 4.8681 7.8561 118.5067 53.7388 45.9575 174.3757 109 I 4.9561 9.0900 126.3531 60.0293 39.7602 174.0647 110 A 5.9400 8.8253 132.2815 49.8261 22.3001 174.8338 *112 A 5.1358 8.2849 114.1480 51.5115 20.4255 175.6227 113 P 4.2924 0.0000 0.0000 64.1379 32.0920 177.0527 114 G 3.8581 9.0664 109.1380 45.8004 0.0000 172.5820 115 T 5.1450 7.2168 108.2440 59.7642 71.7470 173.0288 116 S 5.0731 8.3850 115.4892 57.1936 67.8323 173.3266 117 I 4.6579 8.8389 120.5396 60.1146 41.6033 172.9965 118 G 2.5663 7.2879 110.4143 43.9690 0.0000 173.5884 119 A 4.4995 8.1946 127.6447 51.4114 19.8847 176.4533 120 C 4.5892 7.9776 119.6532 58.0997 33.2589 172.5530 121 R 4.4267 8.1742 130.8694 57.5410 32.1995 175.4217 *140 T 4.5293 7.2110 113.7832 63.8115 70.6138 176.5400 141 N 4.9088 7.8807 118.6828 52.4763 37.5804 174.1361 142 Y 4.9349 7.6890 121.8345 57.9053 47.3821 175.9119 143 F 4.9815 8.6173 118.4296 60.9549 38.9380 177.4538 144 I 3.8388 8.7195 119.6196 64.5177 37.0034 177.9905 145 A 4.0110 8.2705 120.9282 55.6725 17.9315 179.0319 146 Y 4.1574 8.4164 118.2225 60.6943 38.9337 177.5665 147 I 3.4379 8.6396 114.4313 64.0856 37.4469 177.8636 148 K 3.7488 8.2791 121.3307 59.1257 31.9459 178.7970 149 S 4.0223 7.9060 112.7963 61.5805 61.3132 175.9284 150 L 3.7966 7.9645 121.5765 57.8553 41.2583 179.7318 151 A 3.8856 8.1202 120.5141 55.3142 18.4315 179.6206 152 Q 3.9471 8.2802 117.1731 59.0025 28.6541 178.4953 153 E 4.3722 8.1285 115.5848 57.4083 29.7486 177.1876 154 S 4.8651 6.4252 109.7150 56.2264 63.5960 173.9128 155 G 4.0244 7.9325 107.3089 46.9271 0.0000 173.8819 156 R 4.5238 7.7914 117.1027 53.4960 32.1847 175.8069 157 N 4.1125 8.7053 119.7350 54.3662 39.0852 175.3776 158 A 4.1816 8.4677 127.6229 54.0670 18.6033 178.8978 159 T 3.8301 7.7867 113.8068 66.3929 69.0167 176.5153 160 I 3.5226 9.4860 122.2715 64.0536 37.0351 177.9157 161 A 3.2938 7.2894 121.4984 55.1554 18.0720 179.1312 162 E 3.8301 7.8052 116.8945 59.6450 29.2885 178.8492 163 E 4.1401 7.7513 117.3201 58.6438 29.5200 179.4261 164 F 4.5991 7.9362 118.9487 60.7120 38.8710 177.3857 165 I 3.8860 7.7744 116.6545 64.1810 38.1585 177.0537 166 T 4.4824 8.1191 107.5370 62.1254 68.8835 175.6610 167 K 4.3971 7.8719 117.7104 57.2830 35.1683 176.7940 168 D 4.8242 7.9467 115.3943 54.4513 37.8983 173.1765 169 L 4.5843 7.3473 124.6830 54.4729 44.7099 175.8380 170 S 5.0123 8.4658 117.6398 56.8043 65.4338 172.8858 171 L 5.1168 9.3618 126.5533 53.3648 45.2805 175.3773 172 T 4.6936 8.5132 117.5122 61.9346 70.2220 174.1409 173 P 4.3009 0.0000 0.0000 66.0138 31.3458 178.6124 174 E 3.9880 8.2106 116.3419 59.5188 29.4256 178.9907 175 E 4.0632 8.3237 117.7164 59.6592 29.6400 178.9171 176 A 4.1194 8.7682 121.2541 55.4036 18.3288 179.5646 177 L 3.9261 8.3516 118.8902 58.1999 42.0394 178.9135 178 K 3.8767 8.1417 118.5807 59.8250 32.2249 177.6762 179 Y 4.3500 8.3789 114.3241 57.9539 38.2950 175.6009 180 G 3.8386 8.2578 108.7637 46.9185 0.0000 176.0830 181 V 3.8635 8.1753 120.5271 63.3628 32.5356 175.4789 182 I 4.5483 7.5271 110.3122 59.2657 39.9355 174.5130 183 E 4.4983 8.5794 118.9038 57.0094 30.9326 177.1409 184 V 4.3823 7.4250 117.1192 61.1620 34.6064 173.0479 185 V 4.5695 8.4214 125.8488 60.9885 32.8810 174.6525 186 A 4.9502 8.3484 129.4583 50.2594 21.7500 176.5968 187 R 4.1236 9.3537 123.5744 59.1110 30.5695 176.8807 188 D 4.9805 7.8502 115.4891 50.9694 43.6025 175.7610 189 I 3.5773 8.4720 120.1428 64.7875 36.9498 178.0115 190 N 4.2303 8.1236 116.9290 56.6780 38.7266 176.5359 191 E 3.9317 9.1299 120.2658 59.2630 29.4878 178.7791 192 L 4.0150 7.7209 120.2861 58.3134 41.9793 179.1308 193 L 3.7609 8.0113 118.7796 57.6291 41.3228 179.5293 194 K 3.9308 7.7784 116.9498 59.7461 32.1665 179.3912 195 K 4.1574 8.8725 117.8900 58.9153 32.0458 178.9400 196 S 4.4730 8.1210 114.1303 58.4347 63.4635 174.2147 197 N 4.0174 7.5803 120.8030 55.3031 39.5399 174.2304 198 G 3.4064 8.2688 112.9949 45.5829 0.0000 173.0097 *200 K 4.1619 7.3489 117.5445 55.9877 33.7386 175.0992 201 T 4.0499 8.5625 120.4614 62.3799 67.6948 174.5167 202 K 4.3268 9.3244 127.6524 58.3923 32.5493 176.9529 203 I 4.8464 7.4587 110.3344 58.2364 40.3939 172.9075 204 P 3.9042 0.0000 0.0000 62.7753 31.8357 176.0322 205 V 4.1241 8.2286 119.5214 61.9580 33.4292 175.3671 206 N 3.9767 9.8983 128.0924 54.5672 36.9523 174.1673 207 G 4.0739 7.9724 106.4242 45.3178 0.0000 172.7373 208 R 4.6031 7.4445 118.8632 54.0435 32.1891 175.3093 209 Y 4.2845 8.5464 120.2859 58.0879 38.7425 175.3650 210 V 4.5233 8.3055 122.3854 61.4634 35.0608 174.0231 211 T 4.7562 8.2252 122.6375 61.5725 69.9756 174.5921 212 L 3.6994 8.3526 126.8297 54.9495 42.9662 175.9485 213 N 4.8783 8.7893 121.7597 51.3882 40.7388 174.8416 214 F 5.1646 8.5073 130.5748 57.0992 39.1338 177.2800 215 T 4.3087 8.1719 118.5552 65.4779 69.4941 175.7349 216 N 5.1309 7.8177 118.4427 50.6898 39.5314 173.4429 217 V 5.0124 8.0494 120.3820 59.5860 34.8684 175.2125 218 E 4.6745 9.1005 121.8278 54.5950 32.6531 174.9413 219 V 4.4431 8.2258 123.4187 61.1997 33.6410 174.8734 220 R 4.4713 8.2742 126.6438 54.4698 32.7574 174.3483 221 Y 4.7137 8.6988 122.2939 57.3089 39.0784 174.8384 222 L 4.8081 8.6578 124.5358 53.0092 43.1902 176.3767 223 A 4.5363 8.7010 127.2776 50.0791 20.0670 174.9918 224 P 4.9364 0.0000 0.0000 62.1524 32.0560 177.4339 225 S 4.5468 8.6435 116.2788 57.9221 65.5812 174.8338 226 F 4.3003 8.7083 122.1182 61.2717 39.1131 177.1325 227 K 3.7380 8.1312 117.6666 59.5603 31.7578 178.4168 228 D 4.1377 7.4867 117.2568 57.5096 41.2785 178.9089 229 K 3.9698 8.0637 118.6769 59.6766 32.0297 178.8566 230 L 3.8693 7.8777 120.4868 58.0329 42.0922 178.9003 231 I 3.4655 8.0114 119.7702 63.6344 37.0100 177.7480 232 S 4.0667 8.1242 115.0784 61.1297 62.2580 175.0185 233 Y 4.3189 7.3752 120.4131 60.6603 38.7134 178.1687 234 I 3.8874 7.2033 120.4163 63.9312 37.3897 178.0817 235 T 4.1004 7.3518 111.4406 64.2386 67.8741 174.1041 236 D 4.4164 7.8611 127.5554 54.5007 41.1526 175.8825 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 20 A 8.25 4.36 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 21 K 7.68 4.35 0.00 1.93 1.77 0.00 1.55 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.59 7.81 22 N 9.68 4.74 0.00 2.70 2.80 0.00 0.00 7.39 8.02 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 23 I 8.25 4.65 1.81 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 1.09 0.62 0.31 0.00 0.00 24 V 8.39 4.67 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 0.75 0.00 0.00 0.75 0.00 0.00 25 Y 8.46 4.74 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 26 V 8.38 4.77 1.53 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 0.97 0.00 0.00 0.60 0.00 0.00 27 A 8.97 4.78 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 8.25 4.76 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.00 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 29 I 8.23 4.48 1.84 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.73 1.01 0.00 0.00 30 K 7.91 5.29 0.00 1.77 1.70 0.00 1.63 0.00 0.00 2.36 0.00 0.00 2.72 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.27 7.81 31 G 8.71 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 0.00 0.00 0.00 32 Q 8.38 4.05 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 33 I 8.24 4.35 1.93 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.87 1.02 0.00 0.00 34 T 8.82 4.80 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 1.25 0.00 0.00 35 S 8.70 4.23 0.00 3.90 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 36 Y 8.27 4.02 0.00 3.16 2.97 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 37 T 8.10 4.30 4.55 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 1.57 0.00 0.00 38 Y 8.33 4.14 0.00 3.13 3.16 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 39 D 8.37 4.35 0.00 2.36 2.36 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 40 Q 8.08 3.55 0.00 2.21 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 41 F 8.17 3.85 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 42 D 8.20 4.17 0.00 2.22 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 43 R 7.78 3.74 0.00 1.66 1.50 0.00 2.98 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 44 Y 7.68 4.28 0.00 2.97 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 45 I 8.22 3.76 1.98 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.07 0.95 0.00 0.00 46 T 7.98 4.24 4.34 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 1.19 0.00 0.00 47 I 8.19 3.53 1.73 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 1.37 1.15 0.39 0.00 0.00 48 A 7.75 3.83 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 49 E 8.35 3.91 0.00 2.22 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 2.35 2.47 0.00 50 Q 8.10 4.23 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.10 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 51 D 7.31 4.84 0.00 2.92 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 52 N 8.20 4.11 0.00 2.82 2.84 0.00 0.00 6.84 6.97 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 53 A 7.92 4.34 1.62 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 0.00 0.00 54 E 9.38 4.03 0.00 1.96 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 0.00 2.66 2.45 0.00 55 A 6.83 4.60 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 56 I 8.10 5.06 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 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0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.66 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 76 R 7.68 3.94 0.00 2.09 2.15 0.00 3.34 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.67 0.00 77 I 8.11 3.88 2.00 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 1.59 0.36 0.92 0.00 0.00 78 Q 8.00 4.05 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 79 Q 8.19 4.27 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 80 S 7.76 4.34 0.00 3.79 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 81 K 8.84 4.46 0.00 1.80 1.82 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.52 7.81 82 I 7.61 4.68 2.02 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 1.34 0.89 0.94 0.00 0.00 83 P 0.00 3.90 0.00 2.12 1.96 0.00 3.55 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 2.23 2.03 0.00 84 V 8.60 4.80 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 1.17 0.00 0.00 1.07 0.00 0.00 85 I 8.93 4.83 1.90 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 1.32 0.80 0.98 0.00 0.00 86 I 8.67 4.52 1.96 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.01 1.03 0.00 0.00 87 Y 9.12 5.20 0.00 2.82 2.97 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 88 V 8.86 4.27 2.18 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 1.02 0.00 0.00 1.00 0.00 0.00 89 Y 7.93 4.75 0.00 1.43 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 0.00 0.00 0.00 0.00 90 P 0.00 3.15 0.00 1.83 1.48 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.81 0.00 91 P 0.00 4.21 0.00 1.93 1.99 0.00 3.24 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.65 0.00 153 E 8.13 4.37 0.00 2.14 2.07 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 2.54 2.39 0.00 154 S 6.43 4.87 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 7.93 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 0.00 156 R 7.79 4.52 0.00 1.77 1.85 0.00 3.19 0.00 0.00 3.42 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 157 N 8.71 4.11 0.00 2.73 2.86 0.00 0.00 7.13 8.24 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 0.00 158 A 8.47 4.18 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 0.00 159 T 7.79 3.83 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 1.18 0.00 0.00 160 I 9.49 3.52 1.83 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.91 0.22 0.00 0.00 161 A 7.29 3.29 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 0.00 162 E 7.81 3.83 0.00 2.05 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 2.31 2.38 0.00 163 E 7.75 4.14 0.00 2.02 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 2.27 2.55 0.00 164 F 7.94 4.60 0.00 3.18 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.77 3.89 2.06 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 1.85 0.94 1.07 0.00 0.00 166 T 8.12 4.48 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 1.31 0.00 0.00 167 K 7.87 4.40 0.00 1.89 1.80 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.41 7.81 168 D 7.95 4.82 0.00 2.77 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 0.00 169 L 7.35 4.58 0.00 1.94 1.85 0.91 0.60 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 0.00 170 S 8.47 5.01 0.00 3.85 3.66 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 0.00 171 L 9.36 5.12 0.00 1.66 1.59 0.97 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 172 T 8.51 4.69 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 1.31 0.00 0.00 173 P 0.00 4.30 0.00 2.20 2.21 0.00 3.64 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 174 E 8.21 3.99 0.00 2.09 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 0.00 2.43 2.50 0.00 175 E 8.32 4.06 0.00 2.24 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 0.00 2.52 2.48 0.00 176 A 8.77 4.12 1.47 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 0.00 0.00 0.00 177 L 8.35 3.93 0.00 1.90 1.87 0.95 0.29 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 0.00 178 K 8.14 3.88 0.00 1.74 1.95 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.23 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.21 1.37 7.81 179 Y 8.38 4.35 0.00 3.07 2.91 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 0.00 0.00 0.00 180 G 8.26 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 0.00 181 V 8.18 3.86 2.29 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 0.96 0.00 0.00 0.91 0.00 0.00 182 I 7.53 4.55 2.17 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 1.47 0.95 0.98 0.00 0.00 183 E 8.58 4.50 0.00 1.99 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 2.29 2.28 0.00 184 V 7.42 4.38 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 0.89 0.00 0.00 0.93 0.00 0.00 185 V 8.42 4.57 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.98 0.00 0.00 186 A 8.35 4.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 R 9.35 4.12 0.00 1.85 2.11 0.00 3.26 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 188 D 7.85 4.98 0.00 3.01 2.89 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 0.00 189 I 8.47 3.58 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 1.50 1.00 0.76 0.00 0.00 190 N 8.12 4.23 0.00 2.83 2.96 0.00 0.00 7.20 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 0.00 191 E 9.13 3.93 0.00 2.14 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 2.34 2.35 0.00 192 L 7.72 4.01 0.00 1.38 1.65 0.70 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 193 L 8.01 3.76 0.00 1.58 1.55 0.67 -0.48 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 0.00 194 K 7.78 3.93 0.00 1.99 1.89 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.49 7.81 195 K 8.87 4.16 0.00 1.57 1.87 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.66 7.81 196 S 8.12 4.47 0.00 4.17 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 0.00 197 N 7.58 4.02 0.00 2.92 2.90 0.00 0.00 7.28 8.10 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 0.00 198 G 8.27 3.41 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 0.00 *200 K 7.35 4.16 0.00 1.72 1.73 0.00 1.76 0.00 0.00 1.58 0.00 0.00 2.56 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.46 7.81 201 T 8.56 4.05 4.58 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 1.50 0.00 0.00 202 K 9.32 4.33 0.00 1.94 2.02 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.61 1.55 7.81 203 I 7.46 4.85 1.84 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 1.33 0.43 0.97 0.00 0.00 204 P 0.00 3.90 0.00 1.78 1.53 0.00 3.40 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.61 0.00 205 V 8.23 4.12 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 0.90 0.00 0.00 0.82 0.00 0.00 206 N 9.90 3.98 0.00 2.79 2.73 0.00 0.00 7.30 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 G 7.97 4.07 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 0.00 208 R 7.44 4.60 0.00 1.86 1.83 0.00 3.13 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 209 Y 8.55 4.28 0.00 3.01 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 0.00 210 V 8.31 4.52 2.08 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 1.06 0.00 0.00 0.99 0.00 0.00 211 T 8.23 4.76 4.19 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 1.18 0.00 0.00 212 L 8.35 3.70 0.00 1.25 0.52 0.97 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 213 N 8.79 4.88 0.00 2.51 2.67 0.00 0.00 7.10 7.47 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 0.00 214 F 8.51 5.16 0.00 3.07 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 0.00 215 T 8.17 4.31 4.69 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 1.21 0.00 0.00 216 N 7.82 5.13 0.00 2.59 2.68 0.00 0.00 6.68 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 0.00 217 V 8.05 5.01 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 0.66 0.00 0.00 1.01 0.00 0.00 218 E 9.10 4.67 0.00 1.77 1.75 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 2.16 2.17 0.00 219 V 8.23 4.44 1.86 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 0.09 0.00 0.00 0.71 0.00 0.00 220 R 8.27 4.47 0.00 0.84 1.62 0.00 2.81 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.16 0.00 221 Y 8.70 4.71 0.00 2.89 2.89 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 0.00 222 L 8.66 4.81 0.00 1.29 1.65 0.77 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 223 A 8.70 4.54 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 0.00 224 P 0.00 4.94 0.00 2.26 2.19 0.00 3.45 0.00 0.00 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 225 S 8.64 4.55 0.00 4.15 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 226 F 8.71 4.30 0.00 3.11 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 K 8.13 3.74 0.00 1.96 1.95 0.00 1.83 0.00 0.00 1.91 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.61 1.65 7.81 228 D 7.49 4.14 0.00 2.80 2.76 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 0.00 229 K 8.06 3.97 0.00 1.85 1.82 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.49 1.79 7.81 230 L 7.88 3.87 0.00 1.04 1.44 0.78 0.94 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 0.00 231 I 8.01 3.47 1.22 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 1.36 0.51 0.40 0.00 0.00 232 S 8.12 4.07 0.00 3.87 4.06 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 0.00 233 Y 7.38 4.32 0.00 2.93 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 0.00 234 I 7.20 3.89 1.80 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 1.68 0.86 0.85 0.00 0.00 235 T 7.35 4.10 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 1.19 0.00 0.00 236 D 7.86 4.42 0.00 2.70 2.48 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.