NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4017 8.3044 120.3404 55.7219 33.8218 175.3436 2 D 4.7525 7.7277 118.7871 52.6729 39.8654 174.1347 3 F 5.1219 9.0507 120.8662 57.1098 41.1783 175.1567 4 R 4.8985 9.1929 119.8722 54.6249 34.6341 174.3216 5 I 5.0061 8.4236 115.2602 59.5162 40.9738 174.3602 6 G 4.4017 8.6897 109.2520 44.9585 0.0000 171.5403 7 Q 5.1683 8.6342 117.9541 54.2845 32.0619 174.4451 8 G 4.4075 9.4045 107.3420 44.9398 0.0000 170.7169 9 Y 5.4583 8.3742 121.0939 56.1302 42.5022 173.5462 10 D 4.4473 7.7790 121.8504 53.5818 45.3158 174.4293 11 V 4.8758 7.8213 121.2455 60.9738 34.6111 173.2504 12 H 4.9540 8.8303 118.1375 54.1375 33.6242 173.1020 13 Q 4.4509 8.8434 120.6769 56.1028 30.1447 175.2300 14 L 4.9194 9.3643 126.0673 53.6341 43.4907 175.7455 15 V 4.6561 8.4140 118.6066 58.3865 36.3616 173.5757 16 P 4.4842 0.0000 0.0000 64.2866 31.5940 176.3927 17 G 4.0851 8.9726 109.8268 45.3784 0.0000 173.5123 18 R 4.8728 7.6491 117.8526 53.6527 34.9571 172.4873 19 P 4.6300 0.0000 0.0000 62.5636 33.4517 175.0642 20 L 4.6168 8.5190 124.6193 54.2960 42.9897 175.3396 21 I 4.9551 8.2886 127.7119 59.4891 39.6532 174.9102 22 I 4.6908 8.4978 126.5108 60.3832 40.0976 176.0139 23 G 3.8714 10.0516 114.8343 46.7245 0.0000 174.4617 24 G 3.9332 9.0487 104.6798 45.1935 0.0000 173.9689 25 V 4.3316 7.4711 119.2775 60.8432 33.7325 174.4489 26 T 4.7913 8.4037 123.7716 62.9293 69.5483 174.0991 27 I 4.5146 8.6587 127.3692 58.2859 39.9293 173.5828 28 P 4.2975 0.0000 0.0000 63.9651 30.8495 175.0449 29 Y 4.8773 8.3871 124.8844 57.4342 41.3548 174.7152 30 E 4.2029 7.7938 119.2487 56.5621 29.5613 176.6541 31 R 4.8280 6.9719 116.3044 56.4759 35.2718 173.7189 32 G 4.4754 8.7480 106.0123 46.2621 0.0000 171.8902 33 L 5.1095 7.7805 120.1429 53.0867 42.6618 178.7545 34 L 4.3289 8.3648 126.0422 54.5002 38.3927 176.3461 *38 D 4.4422 8.2647 120.9299 51.2063 41.6821 176.2237 39 A 3.3620 7.9159 120.4077 53.4788 15.6659 178.9637 40 D 4.6871 7.7725 122.5335 53.2906 39.9587 175.1799 41 V 4.1372 7.9492 120.1611 63.4106 31.8013 177.5405 42 L 3.9231 7.8245 119.0122 58.2326 41.9784 178.8711 43 L 4.0543 7.9470 118.5313 57.7801 41.5266 179.2150 44 H 4.2511 8.2758 116.0875 58.9127 28.6567 177.4609 45 A 4.0531 8.0248 122.4761 55.4730 18.0925 179.8320 46 I 3.6525 7.6300 117.7005 64.6227 37.0849 178.6540 47 T 3.6582 8.1286 116.8569 66.7790 68.2616 176.0834 48 D 4.5019 8.6668 120.6602 57.5639 40.9127 178.8024 49 A 4.1236 8.2001 121.1291 55.3132 18.3473 179.7655 50 L 3.8478 7.9437 117.4460 57.9188 41.5988 179.7088 51 F 4.5069 8.2337 118.2683 60.4261 38.7849 177.9340 52 G 3.6029 8.4771 105.4097 47.8122 0.0000 175.5967 53 A 4.1473 7.9989 123.3557 54.1650 18.5106 179.1680 54 A 3.0605 7.7382 116.8148 51.8572 19.1702 176.9818 55 A 3.6624 7.4804 119.2337 53.5667 16.4977 177.6466 56 L 4.6342 8.4764 117.1087 55.3438 43.3108 177.3372 57 G 3.9707 9.0931 108.3376 44.3840 0.0000 176.1386 58 D 4.7407 8.0734 127.0527 50.7269 43.3942 174.8924 59 I 3.7470 9.3374 119.0964 64.1498 37.5167 177.9795 60 G 3.5468 7.9873 105.5793 47.7084 0.0000 175.5202 61 R 3.9800 7.9810 119.5639 59.1978 30.1498 178.5922 62 H 4.0842 7.2879 114.4743 57.1197 29.4803 175.9353 63 F 4.7762 7.3563 120.1622 54.8632 39.3969 174.3996 64 S 4.2528 8.4206 121.7867 58.5421 63.0664 175.6044 65 D 4.7864 8.9198 123.9672 55.0549 38.4088 176.8427 66 T 4.5230 6.9545 111.4225 62.4455 72.4126 177.8768 67 D 4.3934 7.2032 114.4407 50.6777 40.6045 178.4623 68 P 4.3973 0.0000 0.0000 64.7201 31.5243 178.5918 69 R 3.7614 7.6168 115.3992 57.8548 29.4959 181.8475 70 F 4.8048 7.4566 112.8566 56.4287 43.0515 173.8219 *73 A 4.1214 8.2908 126.5527 52.1245 19.6454 175.7595 74 D 4.9803 7.9576 118.8097 51.5304 43.4365 177.5568 75 S 4.1750 8.9937 115.6617 61.7450 62.5521 177.4298 76 R 3.9207 8.0564 120.3133 58.9276 29.8651 178.6050 77 A 3.9523 7.9013 120.5942 55.2348 18.4097 179.7332 78 L 3.2539 7.7074 117.4474 57.3565 41.5268 179.4456 79 L 3.8877 7.9632 120.3343 58.2585 41.9799 179.1791 80 R 3.9156 8.0926 118.0420 59.3260 29.9392 178.7173 81 E 3.9902 8.3307 119.0002 59.2818 29.6078 178.0062 82 C 4.0159 8.8699 118.9476 62.7570 31.4562 175.3665 83 A 3.9422 8.3104 122.3692 55.4298 18.0407 179.5782 84 S 4.0731 8.4029 111.6200 61.6440 62.3528 176.6388 85 R 4.0969 8.5694 121.2731 59.0543 29.6826 179.2061 86 V 3.7302 8.3604 118.4565 65.9879 31.5782 177.7947 87 A 4.3235 8.1761 121.9769 54.9182 17.9753 179.7100 88 Q 4.0225 7.9263 114.6413 58.7269 28.8837 178.1488 89 A 4.2689 7.7326 120.3746 52.8758 18.7463 178.0550 90 G 3.7736 7.9423 106.5181 44.6794 0.0000 172.5937 91 F 5.4860 8.0610 118.5069 55.4605 41.4922 174.5480 92 A 4.7350 9.0191 126.1091 50.6647 20.7612 176.1749 93 I 4.2501 8.3664 123.5192 61.4745 37.3758 176.0687 94 R 4.4802 8.8509 126.9038 58.2103 31.2873 176.1988 95 N 4.6920 7.5376 113.2192 52.4514 40.3347 173.6031 96 V 4.8768 8.4561 118.6285 61.4330 35.4085 173.5345 97 D 5.2961 9.0332 124.7001 52.2441 45.3022 173.7682 98 S 5.0973 8.2170 115.5231 58.2383 66.6866 173.1847 99 T 4.9028 9.0503 116.6285 62.0789 72.8522 173.0806 100 I 4.7571 8.7261 126.9331 59.7584 39.7615 174.6326 101 I 4.9420 8.9333 128.2735 59.7010 38.9744 174.6954 102 A 4.8120 8.9855 129.3862 50.3007 21.9604 176.8450 103 Q 3.8354 9.0234 123.6084 58.8366 29.5915 175.7748 104 A 4.4004 7.2319 117.1990 50.2358 21.7764 173.6782 105 P 4.2546 0.0000 0.0000 61.7303 32.7233 176.7111 106 K 4.0110 8.3034 120.0298 55.0228 31.7923 173.7668 107 L 4.4632 8.4309 123.0535 54.6340 42.9564 178.4393 108 A 3.9619 8.2545 120.9802 55.1053 17.8780 177.7852 109 P 4.2244 0.0000 0.0000 64.9943 31.6903 177.4475 110 H 4.7823 8.0205 114.2344 55.7801 28.8359 176.9966 111 I 3.7492 7.4557 124.2026 64.5864 37.0008 177.9743 112 D 4.3382 8.0881 119.0145 57.0849 40.5361 178.4815 113 A 3.9555 7.9312 120.8288 55.5292 18.5542 179.0925 114 M 4.3120 7.8318 118.1567 58.1558 32.0415 179.4208 115 R 3.9296 8.2497 117.6847 58.9926 30.1904 178.9647 116 A 3.9663 8.3857 121.0200 55.1948 18.4387 179.2942 117 N 4.2377 8.3734 115.2057 56.7619 38.6639 177.7524 118 I 3.7609 7.8605 120.7547 64.2477 37.0673 178.4823 119 A 3.9871 8.3121 121.6249 55.0427 18.1694 179.1016 120 A 3.9185 7.9998 119.2571 55.7572 18.2287 179.3673 121 D 4.3263 8.4989 116.4533 57.2665 41.1274 178.5530 122 L 4.2734 8.2384 116.5731 53.6010 42.8343 175.7711 123 D 4.3544 7.9619 118.0145 55.6429 40.0338 172.7279 124 L 4.8700 7.9294 116.9781 51.8548 45.2563 175.5700 125 P 4.3630 0.0000 0.0000 62.5555 32.1979 177.5584 126 L 3.9765 8.5915 123.3720 58.1353 42.1408 178.0112 127 D 4.7050 8.0579 115.1754 54.0070 39.6148 176.3718 128 R 4.6070 8.0823 118.1526 56.0968 31.6069 175.3129 129 V 4.8709 7.7612 118.9343 61.0766 33.7075 174.3346 130 N 5.1467 9.0223 125.3274 51.8379 42.8318 172.9889 131 V 4.8459 8.2198 122.9231 60.0575 34.4863 174.5156 132 K 4.8331 8.9706 126.0564 54.5930 35.9177 174.8186 133 A 5.1352 8.3013 121.8925 50.4686 22.0410 175.7189 134 K 4.7605 9.2339 120.8546 54.7519 36.8905 176.4128 135 T 4.8075 8.3942 113.1400 60.0820 70.9493 173.6235 136 N 4.7975 8.6250 116.6184 53.0077 39.1444 173.9842 137 E 3.8710 8.6262 112.8143 56.9688 27.6508 175.1279 138 K 4.2439 8.2582 112.0158 56.5663 30.6405 175.4180 139 L 4.4580 7.9469 119.0588 53.9011 43.4262 178.2745 140 G 3.9663 8.5367 112.5895 44.7397 0.0000 173.3534 141 Y 4.4927 8.1957 117.3319 59.6182 37.4165 178.7077 142 L 4.2297 7.1458 120.1722 57.5918 41.8246 179.4217 143 G 3.7269 8.1140 104.9158 46.6673 0.0000 174.7463 144 R 4.6201 7.7197 118.4732 55.3516 30.5435 176.7877 145 G 3.9822 7.8399 106.9157 46.3706 0.0000 174.8202 146 E 4.2181 9.0408 120.8203 57.6409 29.9070 176.3926 147 G 4.2210 7.4790 105.1143 45.2518 0.0000 172.0540 148 I 4.8530 8.1630 118.4715 59.6064 41.7063 174.4545 149 E 5.0350 8.9892 126.4272 54.3786 32.6082 174.3743 150 A 5.2920 8.7223 126.2377 50.2444 22.7982 175.0267 151 Q 5.2414 9.2563 118.7102 54.2260 33.0102 174.5510 152 A 5.2395 8.9400 122.7587 50.4667 23.4092 174.8824 153 A 5.2257 9.2212 121.1745 50.1566 23.0973 175.1864 154 A 5.0298 9.0294 121.8935 50.2413 22.9218 174.7650 155 L 5.0622 8.5063 124.2159 53.7918 44.2745 175.7805 156 V 5.2942 8.8669 118.2022 59.7563 36.7366 174.5976 157 V 4.7818 8.8735 122.7285 60.8370 34.9632 176.3728 158 R 5.0930 8.3690 122.1973 56.3072 29.1587 175.2556 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 M 8.30 4.40 0.00 1.73 2.06 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 2 D 7.73 4.75 0.00 2.84 2.47 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 3 F 9.05 5.12 0.00 3.00 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 4 R 9.19 4.90 0.00 1.58 1.68 0.00 3.27 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 5 I 8.42 5.01 1.87 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 1.28 1.21 0.92 0.00 0.00 6 G 8.69 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 0.00 0.00 0.00 0.00 7 Q 8.63 5.17 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 8 G 9.40 4.41 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 9 Y 8.37 5.46 0.00 2.95 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 7.78 4.45 0.00 2.75 2.42 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 0.00 0.00 0.00 0.00 11 V 7.82 4.88 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 0.76 0.00 0.00 1.08 0.00 0.00 12 H 8.83 4.95 0.00 3.04 3.16 0.00 5.62 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 13 Q 8.84 4.45 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 14 L 9.36 4.92 0.00 1.59 1.83 1.07 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.41 4.66 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 0.68 0.00 0.00 0.94 0.00 0.00 16 P 0.00 4.48 0.00 1.90 1.95 0.00 3.64 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 17 G 8.97 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.65 4.87 0.00 1.69 1.77 0.00 3.29 0.00 0.00 3.39 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 19 P 0.00 4.63 0.00 2.11 2.17 0.00 3.68 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 2.06 1.96 0.00 20 L 8.52 4.62 0.00 2.07 1.85 0.95 1.04 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 21 I 8.29 4.96 1.84 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 1.40 1.12 0.90 0.00 0.00 22 I 8.50 4.69 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.12 0.88 0.00 0.00 23 G 10.05 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 24 G 9.05 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 0.00 0.00 0.00 25 V 7.47 4.33 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 1.04 0.00 0.00 0.98 0.00 0.00 26 T 8.40 4.79 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 27 I 8.66 4.51 1.80 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 0.79 0.43 0.81 0.00 0.00 28 P 0.00 4.30 0.00 2.13 2.14 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 29 Y 8.39 4.88 0.00 2.94 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 30 E 7.79 4.20 0.00 2.03 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.90 0.00 31 R 6.97 4.83 0.00 1.66 1.85 0.00 3.21 0.00 0.00 3.43 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.34 0.00 32 G 8.75 4.48 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 0.00 0.00 0.00 33 L 7.78 5.11 0.00 1.59 1.60 0.92 1.08 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 34 L 8.36 4.33 0.00 1.59 1.66 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 *38 D 8.26 4.44 0.00 2.76 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 39 A 7.92 3.36 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 40 D 7.77 4.69 0.00 2.75 2.44 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 41 V 7.95 4.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.89 0.00 0.00 42 L 7.82 3.92 0.00 1.72 1.83 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.95 4.05 0.00 1.69 1.70 0.92 1.42 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 44 H 8.28 4.25 0.00 3.53 3.32 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.02 4.05 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 46 I 7.63 3.65 1.98 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 1.51 0.64 0.87 0.00 0.00 47 T 8.13 3.66 4.45 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 1.19 0.00 0.00 48 D 8.67 4.50 0.00 2.99 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 49 A 8.20 4.12 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 50 L 7.94 3.85 0.00 1.54 1.49 0.81 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.23 4.51 0.00 3.15 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 52 G 8.48 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.00 4.15 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 54 A 7.74 3.06 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 55 A 7.48 3.66 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 56 L 8.48 4.63 0.00 1.78 1.72 1.16 1.34 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 57 G 9.09 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 58 D 8.07 4.74 0.00 3.04 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 59 I 9.34 3.75 2.11 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 1.56 1.81 0.98 0.00 0.00 60 G 7.99 3.55 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 0.00 61 R 7.98 3.98 0.00 1.56 1.79 0.00 3.06 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 62 H 7.29 4.08 0.00 1.80 1.94 0.00 5.59 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 7.36 4.78 0.00 2.79 2.27 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 64 S 8.42 4.25 0.00 3.91 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 65 D 8.92 4.79 0.00 2.74 2.54 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 66 T 6.95 4.52 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 67 D 7.20 4.39 0.00 2.62 2.53 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 0.00 68 P 0.00 4.40 0.00 1.98 2.11 0.00 3.64 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 2.01 2.08 0.00 69 R 7.62 3.76 0.00 1.83 1.85 0.00 3.24 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 70 F 7.46 4.80 0.00 3.01 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 *73 A 8.29 4.12 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 74 D 7.96 4.98 0.00 3.17 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 75 S 8.99 4.17 0.00 3.86 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 76 R 8.06 3.92 0.00 1.83 2.08 0.00 3.12 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 77 A 7.90 3.95 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 78 L 7.71 3.25 0.00 1.67 1.05 0.78 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.96 3.89 0.00 1.87 1.83 0.86 0.86 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 80 R 8.09 3.92 0.00 2.04 1.98 0.00 3.18 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.83 0.00 81 E 8.33 3.99 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.81 0.00 82 C 8.87 4.02 0.00 2.95 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 83 A 8.31 3.94 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 84 S 8.40 4.07 0.00 3.94 4.17 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 85 R 8.57 4.10 0.00 2.28 2.18 0.00 3.50 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.09 0.00 86 V 8.36 3.73 2.24 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 1.14 0.00 0.00 0.92 0.00 0.00 87 A 8.18 4.32 1.43 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 0.00 0.00 0.00 88 Q 7.93 4.02 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 89 A 7.73 4.27 1.52 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 90 G 7.94 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.06 5.49 0.00 2.97 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 92 A 9.02 4.73 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 93 I 8.37 4.25 1.88 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 1.35 0.60 0.91 0.00 0.00 94 R 8.85 4.48 0.00 1.98 2.08 0.00 3.50 0.00 0.00 3.36 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.05 0.00 95 N 7.54 4.69 0.00 2.87 2.88 0.00 0.00 5.61 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 96 V 8.46 4.88 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 0.92 0.00 0.00 0.91 0.00 0.00 97 D 9.03 5.30 0.00 2.81 2.41 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 98 S 8.22 5.10 0.00 3.98 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 99 T 9.05 4.90 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 1.21 0.00 0.00 100 I 8.73 4.76 1.85 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 1.20 0.70 0.93 0.00 0.00 101 I 8.93 4.94 1.86 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 1.15 0.64 0.91 0.00 0.00 102 A 8.99 4.81 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 0.00 103 Q 9.02 3.84 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 104 A 7.23 4.40 1.17 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 0.00 0.00 105 P 0.00 4.25 0.00 1.98 1.42 0.00 3.36 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.54 0.00 106 K 8.30 4.01 0.00 1.80 1.66 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.04 7.81 107 L 8.43 4.46 0.00 1.67 1.71 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.25 3.96 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 0.00 109 P 0.00 4.22 0.00 1.68 2.01 0.00 3.48 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.09 0.00 110 H 8.02 4.78 0.00 3.13 3.28 0.00 5.61 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.46 3.75 1.86 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 1.83 0.83 0.93 0.00 0.00 112 D 8.09 4.34 0.00 2.68 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 0.00 113 A 7.93 3.96 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.83 4.31 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.62 0.00 115 R 8.25 3.93 0.00 2.01 1.97 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 116 A 8.39 3.97 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 0.00 117 N 8.37 4.24 0.00 2.86 2.87 0.00 0.00 7.09 8.27 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 0.00 118 I 7.86 3.76 1.86 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 1.44 0.63 0.89 0.00 0.00 119 A 8.31 3.99 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 0.00 120 A 8.00 3.92 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 0.00 121 D 8.50 4.33 0.00 2.77 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 8.24 4.27 0.00 1.61 1.69 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 123 D 7.96 4.35 0.00 2.74 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 0.00 124 L 7.93 4.87 0.00 1.61 1.53 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.36 0.00 2.33 1.98 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 126 L 8.59 3.98 0.00 1.72 1.67 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 127 D 8.06 4.70 0.00 2.83 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 0.00 128 R 8.08 4.61 0.00 1.95 2.06 0.00 3.08 0.00 0.00 3.40 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 129 V 7.76 4.87 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 0.73 0.00 0.00 0.93 0.00 0.00 130 N 9.02 5.15 0.00 2.85 2.76 0.00 0.00 6.23 7.83 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 0.00 131 V 8.22 4.85 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 1.18 0.00 0.00 0.92 0.00 0.00 132 K 8.97 4.83 0.00 1.81 1.65 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.44 7.81 133 A 8.30 5.14 1.14 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 0.00 0.00 134 K 9.23 4.76 0.00 1.58 1.63 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.49 7.81 135 T 8.39 4.81 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 1.19 0.00 0.00 136 N 8.63 4.80 0.00 2.73 2.81 0.00 0.00 6.99 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 0.00 137 E 8.63 3.87 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 2.24 2.39 0.00 138 K 8.26 4.24 0.00 1.91 1.89 0.00 1.64 0.00 0.00 1.56 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.35 7.81 139 L 7.95 4.46 0.00 1.79 1.51 0.90 0.74 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 0.00 140 G 8.54 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 0.00 141 Y 8.20 4.49 0.00 3.30 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 0.00 142 L 7.15 4.23 0.00 1.51 1.67 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.11 3.73 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 0.00 0.00 0.00 144 R 7.72 4.62 0.00 1.87 2.01 0.00 3.26 0.00 0.00 3.25 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 145 G 7.84 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 0.00 0.00 0.00 146 E 9.04 4.22 0.00 2.28 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 2.37 2.32 0.00 147 G 7.48 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 0.00 0.00 0.00 148 I 8.16 4.85 1.89 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 1.12 1.09 0.94 0.00 0.00 149 E 8.99 5.03 0.00 2.08 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 150 A 8.72 5.29 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 0.00 151 Q 9.26 5.24 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 152 A 8.94 5.24 1.17 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 0.00 0.00 153 A 9.22 5.23 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 0.00 154 A 9.03 5.03 1.16 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 0.00 155 L 8.51 5.06 0.00 1.80 1.70 1.03 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 156 V 8.87 5.29 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 0.65 0.00 0.00 0.69 0.00 0.00 157 V 8.87 4.78 1.58 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 0.75 0.00 0.00 -0.12 0.00 0.00 158 R 8.37 5.09 0.00 1.62 1.71 0.00 3.26 0.00 0.00 3.11 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.27 0.00 * Residues marked with a * may have inaccurate shift predictions.