NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5307 8.1633 120.6196 55.4959 34.2348 173.6755 2 I 4.8032 8.3199 125.7454 59.4391 39.8167 173.1751 3 S 5.3973 10.0219 123.3794 56.8284 67.6326 172.5907 4 L 5.3216 8.8526 122.5505 53.1295 44.4376 175.3138 5 I 5.2536 8.7055 122.1484 59.4111 40.7798 174.2196 6 A 5.0410 9.1582 128.7549 50.9436 23.2684 174.5114 7 A 5.0866 8.7142 120.6984 50.2201 21.2293 175.7156 8 L 4.9865 8.9818 122.9837 53.3770 45.0478 176.8868 9 A 4.9484 9.0891 125.3105 50.6108 21.6567 176.8248 10 V 3.7887 8.4305 109.9520 63.3765 31.9799 176.8764 11 D 4.5412 9.1609 121.3754 54.9995 38.0489 174.3490 12 R 4.0436 8.0892 115.5532 57.1064 28.3508 176.0049 13 V 4.2965 7.5146 118.0988 63.0565 32.4686 174.9853 14 I 5.0786 8.3480 120.2638 58.5521 40.9215 175.2747 15 G 3.6678 8.8404 109.6502 47.1012 0.0000 172.1213 16 M 4.5920 8.7249 119.2559 56.3812 34.2504 175.5139 17 E 4.5742 7.7926 115.2919 57.6169 33.3881 175.1985 18 N 4.5006 7.8727 114.5262 52.3832 39.3864 175.0310 19 A 4.0350 8.1285 123.3696 52.4207 19.1219 177.6119 20 M 3.8363 7.8568 120.4662 54.1547 32.9360 176.0261 21 P 4.4897 0.0000 0.0000 60.4854 29.8420 174.9650 22 W 5.0015 6.9627 118.2948 56.4248 31.1175 174.9205 23 N 4.9665 9.4103 117.7038 52.1664 39.9265 172.8481 24 L 5.2230 8.0161 126.2258 50.9400 42.5168 175.4731 25 P 4.2439 0.0000 0.0000 65.8047 31.3420 178.5022 26 A 4.0482 8.4809 120.5737 55.0179 18.2021 179.4768 27 C 4.2416 7.5019 114.9497 62.9878 28.2816 176.0829 28 L 4.1386 8.1106 120.3505 57.5809 41.0604 179.4606 29 A 4.0520 8.0969 121.0527 54.7916 18.3067 179.4185 30 W 3.9282 8.0371 127.0157 60.4818 30.5844 177.9402 31 F 3.8946 8.3477 120.6321 61.0123 38.8494 176.9953 32 K 3.7226 8.5710 119.6277 59.5011 31.8381 178.5740 33 R 3.7088 7.8278 117.9101 59.5416 30.0205 177.7144 34 N 4.0971 7.3794 114.1289 54.4241 38.7455 175.7177 35 T 4.0721 6.7602 109.2078 60.8116 70.5306 174.1627 36 L 3.8280 7.2822 124.6079 56.6072 42.3932 176.1431 37 D 4.6120 8.8110 123.6422 54.8649 38.3473 173.5730 38 K 4.8194 7.4793 117.8522 53.6796 37.0221 173.8426 39 P 4.6227 0.0000 0.0000 62.8370 33.0069 175.4163 40 V 4.9209 8.7150 115.2320 59.6516 35.2390 174.5028 41 I 4.9652 8.5293 125.6162 59.6937 39.9618 174.6284 42 M 5.1045 8.8859 122.9606 53.8247 35.6726 174.5212 43 G 4.2751 8.6701 107.4869 45.0664 0.0000 174.9722 44 R 4.2320 8.6200 118.5474 59.7666 29.9696 178.0852 45 H 4.2882 8.1625 115.6960 59.0510 28.7472 177.7130 46 T 3.8964 7.9577 117.1715 66.2996 68.2846 176.1520 47 W 4.3544 8.2103 130.1717 60.8081 30.4692 177.9071 48 E 3.6609 8.0205 117.2346 59.3980 28.9327 179.2584 49 S 4.1970 7.8916 114.4735 61.2713 62.8782 176.5394 50 I 3.8133 7.4910 122.2773 63.1735 37.1104 177.6759 51 G 3.6140 9.0281 105.8277 44.8740 0.0000 172.7711 52 R 4.2561 6.4708 112.8967 54.4111 31.5388 172.6489 53 P 4.7711 0.0000 0.0000 62.5459 32.2437 176.5217 54 L 4.2449 9.5203 123.8164 53.7614 42.1476 175.3129 55 P 4.4168 0.0000 0.0000 63.6848 32.0512 176.6669 56 G 3.9378 8.9245 108.3508 46.0063 0.0000 172.9861 57 R 4.9217 7.3326 115.6716 53.8579 34.4657 175.0099 58 K 4.1823 8.2405 122.8586 55.8471 33.3508 175.4159 59 N 4.8833 8.6248 126.1556 52.4614 40.1481 174.1715 60 I 4.6670 8.6024 125.3311 59.3553 40.4932 174.5990 61 I 4.5451 8.5069 128.4047 59.3328 39.0022 174.4107 62 L 4.9576 8.6821 130.6622 54.2960 43.0174 175.2055 63 S 4.7188 9.1178 119.9282 57.8849 65.8550 175.5744 64 S 4.3514 8.9317 119.9059 59.8335 63.3193 174.5412 65 Q 4.5603 7.6107 120.8733 53.6377 30.4139 174.4700 *66 P 4.3357 0.0000 0.0000 62.1523 31.3342 176.8030 67 G 2.0000 7.6240 112.2428 44.2128 0.0000 174.6504 68 T 3.7958 7.4419 118.0338 63.5533 68.8423 170.5654 69 D 4.9357 8.2423 121.1247 53.0528 42.1397 175.7752 70 D 4.7298 8.6970 124.5609 54.5213 40.1430 177.3348 71 R 4.1606 9.0434 118.9414 57.8719 30.3343 175.8607 72 V 4.4343 7.2389 109.4637 59.7416 36.2539 174.4970 73 T 4.4291 8.3864 118.4359 62.0648 70.1429 174.1881 74 W 5.0120 8.7671 126.3775 55.2359 30.7038 175.9755 75 V 4.6795 9.2212 120.3270 60.3158 34.9014 177.2193 76 K 4.6783 9.1099 121.9764 54.1660 33.0881 177.8920 77 S 4.7735 7.4922 110.2534 56.3274 67.3820 175.0072 78 V 3.5590 8.3043 121.5648 66.3840 31.1664 177.5958 79 D 4.3873 8.0992 117.8316 57.7278 40.7217 178.6871 80 E 3.9831 8.3433 118.4753 59.2495 29.2175 179.1818 81 A 4.0329 8.0355 120.0397 55.3848 18.7886 179.3811 82 I 3.8600 8.2459 118.2645 64.5559 37.2455 178.4611 83 A 3.9856 8.1305 121.2591 55.2513 18.0244 179.5049 84 A 4.0164 7.9595 117.7904 55.3033 18.4126 179.2386 85 C 4.2096 7.9173 114.5869 62.3753 28.6996 175.4749 86 G 3.6908 8.2336 108.3675 45.1041 0.0000 173.0185 87 D 4.7012 8.5148 120.4370 52.6285 40.7650 176.6882 88 V 4.6022 7.6961 117.7963 58.3670 35.4363 174.6414 89 P 4.3943 0.0000 0.0000 65.3802 31.4586 176.9536 90 E 4.9338 7.7777 117.5148 54.9763 32.6977 174.2897 91 I 4.4513 8.9108 128.0276 59.8986 39.9000 174.2814 92 M 4.7877 8.6181 126.3830 53.6741 34.3508 174.9968 93 V 4.4231 9.0490 124.6394 61.0784 33.3247 175.6046 94 I 4.5721 8.8566 121.3940 60.8869 38.5812 175.5797 95 G 2.7893 7.9226 109.4679 44.3570 0.0000 172.5593 96 G 4.2035 8.1972 106.3957 44.0146 0.0000 173.6745 97 G 4.1221 8.8901 106.2232 48.6659 0.0000 175.6066 98 R 3.9916 7.9894 120.4418 58.5142 30.1778 179.2245 99 V 3.7035 7.7279 117.5179 66.3208 31.2549 177.4403 100 Y 4.5037 8.0016 116.5557 61.3820 37.4952 178.5733 101 E 4.0259 8.2697 118.3275 59.6361 29.6291 179.2151 102 Q 4.0664 8.1068 117.2046 58.3214 29.0534 177.8436 103 F 4.5442 8.2764 117.2160 58.1923 39.8026 177.6152 104 L 4.1371 8.1932 120.8512 58.1942 41.5560 177.2918 105 P 4.4016 0.0000 0.0000 65.1293 31.3849 177.8311 106 K 4.3458 8.0555 114.6183 55.9318 32.8877 177.0282 107 A 4.5963 7.4594 122.5301 52.2969 19.1715 176.8787 108 Q 4.6676 9.3650 121.7987 56.1826 31.9190 175.0096 109 K 5.4664 8.2278 118.6613 54.9919 36.4756 174.5136 110 L 5.2396 8.9898 124.9718 53.1165 45.4022 174.9965 111 Y 5.1584 9.3906 122.0811 56.4915 40.2301 174.6434 112 L 5.0892 9.6705 125.5191 53.0248 45.4637 176.0106 113 T 4.8852 8.5947 119.6106 62.3011 70.9918 172.8148 114 H 5.0933 9.1655 125.1637 54.4070 30.5903 174.5043 115 I 4.6619 8.4131 124.3163 59.2194 39.4501 176.5905 116 D 4.8559 8.5977 128.0034 53.1340 38.5794 175.2707 117 A 4.7860 7.6856 121.1183 50.1010 23.3150 175.6799 118 E 4.6617 9.0020 122.1713 54.8595 30.3290 175.8129 119 V 4.4213 8.1322 123.2403 60.7353 34.3856 174.5129 120 E 4.3209 8.7885 126.5456 55.8052 30.1546 176.1781 121 G 4.2131 8.1531 110.8651 44.6591 0.0000 172.4463 122 D 4.5466 8.6004 120.0520 56.7632 41.7259 177.7075 123 T 4.4473 7.6055 115.3022 63.4828 69.8717 173.8646 124 H 5.4731 8.6220 121.1150 53.6317 32.9314 173.0518 125 F 4.3155 9.3592 124.6123 57.4610 39.7941 173.4654 126 P 4.2560 0.0000 0.0000 62.5717 31.7642 175.5935 127 D 4.4935 8.6016 121.0975 54.3277 41.6962 175.0982 128 Y 4.8892 8.0465 123.8504 55.2688 40.1115 175.3970 129 E 4.3625 8.9227 124.0522 54.2178 28.5537 174.7865 130 P 4.6836 0.0000 0.0000 64.6581 31.7616 177.6649 131 D 4.7690 8.0732 116.8400 53.9619 40.7110 180.9109 132 D 4.9453 9.4603 116.7401 54.6535 42.2902 176.0647 133 W 5.6446 7.9658 117.9091 54.9729 33.4559 173.7656 134 E 4.6941 9.4867 125.7220 54.3578 31.2694 174.6832 135 S 4.7339 8.9057 122.6642 58.5337 62.4655 173.5081 136 V 4.3895 8.7816 126.9931 63.3682 33.1836 175.2510 137 F 4.9761 7.9818 120.8942 57.5602 42.8428 172.7254 138 S 4.8644 7.3084 117.9213 57.2500 65.4940 173.3727 139 E 4.3190 8.9891 128.5397 54.9896 32.6892 173.5188 140 F 4.6922 8.6299 129.5022 57.4560 41.2110 174.4388 141 H 4.3855 7.0498 120.6381 53.8058 32.8241 172.9354 142 D 4.7844 8.5022 121.1525 52.6712 41.9936 175.9842 143 A 4.5016 8.2982 122.1859 52.7044 19.4906 176.5340 144 D 4.4959 8.7358 116.8672 52.5761 41.9895 175.7994 145 A 3.9197 8.6919 120.8236 54.8675 18.4009 178.3971 146 Q 4.4997 7.7939 112.6086 55.7064 30.7750 175.3996 147 N 5.2120 8.5783 116.7618 50.9764 40.5369 175.7830 148 S 4.1304 8.8570 119.0211 61.0779 63.2970 173.5424 149 H 5.0383 7.6963 115.3313 53.7498 32.8805 173.3329 150 S 4.4021 8.5760 115.2979 58.8837 64.2069 173.1592 151 Y 4.7646 7.2797 119.4498 55.7608 42.0419 173.3093 152 C 4.7352 8.9180 120.5134 57.6952 35.0066 172.8315 153 F 4.9124 8.3962 125.5443 56.8936 40.1870 174.4835 154 E 5.3006 9.7412 123.0505 54.7813 33.6113 173.7896 155 I 5.1116 8.9721 126.0262 59.5405 40.7507 174.4942 156 L 5.3719 9.1108 125.8240 53.0069 45.7291 175.2315 157 E 5.3154 9.2131 121.5954 54.3808 32.8688 175.3598 158 R 3.5484 8.7165 125.2681 55.8502 30.6158 176.4756 159 R 4.2174 7.9608 122.5645 56.2418 29.1595 175.6751 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 8.16 4.53 0.00 2.31 2.03 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.66 0.00 2 I 8.32 4.80 2.19 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.81 1.08 0.00 0.00 3 S 10.02 5.40 0.00 3.82 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 4 L 8.85 5.32 0.00 1.75 1.69 1.14 0.57 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 5 I 8.71 5.25 1.71 0.00 0.00 0.57 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 1.23 0.94 0.00 0.00 6 A 9.16 5.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.71 5.09 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 8 L 8.98 4.99 0.00 1.55 1.62 0.83 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 9 A 9.09 4.95 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.43 3.79 2.14 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 0.96 0.00 0.00 0.98 0.00 0.00 11 D 9.16 4.54 0.00 2.93 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 12 R 8.09 4.04 0.00 2.27 2.27 0.00 3.33 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 13 V 7.51 4.30 2.14 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 0.77 0.00 0.00 0.97 0.00 0.00 14 I 8.35 5.08 2.11 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.99 1.28 0.00 0.00 15 G 8.84 3.67 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 0.00 0.00 0.00 16 M 8.72 4.59 0.00 1.91 2.02 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 2.44 2.41 0.00 17 E 7.79 4.57 0.00 1.83 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 2.17 2.34 0.00 18 N 7.87 4.50 0.00 2.69 2.66 0.00 0.00 6.85 7.35 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 19 A 8.13 4.03 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 20 M 7.86 3.84 0.00 0.51 0.66 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 2.19 2.14 0.00 21 P 0.00 4.49 0.00 2.13 1.98 0.00 3.22 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.81 0.00 22 W 6.96 5.00 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 23 N 9.41 4.97 0.00 2.82 2.76 0.00 0.00 7.30 7.52 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 24 L 8.02 5.22 0.00 1.39 1.08 -0.09 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.24 0.00 2.26 2.32 0.00 3.94 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.04 0.00 26 A 8.48 4.05 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 27 C 7.50 4.24 0.00 2.83 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 28 L 8.11 4.14 0.00 1.88 1.76 0.92 0.65 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 29 A 8.10 4.05 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 30 W 8.04 3.93 0.00 2.80 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.35 3.89 0.00 3.26 3.23 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 32 K 8.57 3.72 0.00 1.89 1.92 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.40 7.81 33 R 7.83 3.71 0.00 1.73 1.81 0.00 3.00 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 1.40 1.54 0.00 34 N 7.38 4.10 0.00 1.97 1.89 0.00 0.00 6.89 7.70 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 35 T 6.76 4.07 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 0.44 0.00 0.00 36 L 7.28 3.83 0.00 1.69 1.48 0.88 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.81 4.61 0.00 2.80 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 38 K 7.48 4.82 0.00 1.59 1.52 0.00 1.53 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.24 1.40 7.81 39 P 0.00 4.62 0.00 2.04 2.11 0.00 3.71 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 2.01 1.95 0.00 40 V 8.72 4.92 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 0.62 0.00 0.00 0.97 0.00 0.00 41 I 8.53 4.97 1.52 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.57 0.82 0.00 0.00 42 M 8.89 5.10 0.00 2.04 2.12 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 2.48 2.57 0.00 43 G 8.67 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 0.00 0.00 0.00 44 R 8.62 4.23 0.00 2.07 1.95 0.00 3.52 0.00 0.00 3.75 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.94 0.00 45 H 8.16 4.29 0.00 3.32 3.44 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.96 3.90 4.44 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 1.24 0.00 0.00 47 W 8.21 4.35 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 48 E 8.02 3.66 0.00 2.09 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 2.74 2.52 0.00 49 S 7.89 4.20 0.00 3.92 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 50 I 7.49 3.81 1.75 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 1.38 0.60 0.91 0.00 0.00 51 G 9.03 3.61 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 0.00 0.00 0.00 52 R 6.47 4.26 0.00 1.86 1.79 0.00 3.04 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.46 0.00 53 P 0.00 4.77 0.00 2.15 2.13 0.00 3.77 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.44 0.00 54 L 9.52 4.24 0.00 1.80 1.65 1.14 1.10 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 55 P 0.00 4.42 0.00 2.03 1.99 0.00 3.80 0.00 0.00 3.83 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 56 G 8.92 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 0.00 0.00 0.00 57 R 7.33 4.92 0.00 1.69 1.75 0.00 3.07 0.00 0.00 2.94 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.44 0.00 58 K 8.24 4.18 0.00 1.82 1.64 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.35 7.81 59 N 8.62 4.88 0.00 2.55 2.58 0.00 0.00 6.87 7.26 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 60 I 8.60 4.67 1.87 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 1.14 0.65 0.84 0.00 0.00 61 I 8.51 4.55 0.78 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.59 0.00 0.00 62 L 8.68 4.96 0.00 1.76 1.61 1.12 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 63 S 9.12 4.72 0.00 4.02 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 64 S 8.93 4.35 0.00 3.92 3.91 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 65 Q 7.61 4.56 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 *66 P 0.00 4.34 0.00 2.09 1.85 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 1.94 1.60 0.00 67 G 7.62 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 7.44 3.80 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 69 D 8.24 4.94 0.00 3.07 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.70 4.73 0.00 2.87 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 79 D 8.10 4.39 0.00 2.80 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.34 3.98 0.00 2.26 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 2.35 2.35 0.00 81 A 8.04 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.25 3.86 2.08 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.90 0.97 0.00 0.00 83 A 8.13 3.99 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 84 A 7.96 4.02 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 85 C 7.92 4.21 0.00 3.19 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 86 G 8.23 3.69 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 0.00 0.00 0.00 87 D 8.51 4.70 0.00 2.63 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 7.70 4.60 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 0.83 0.00 0.00 0.91 0.00 0.00 89 P 0.00 4.39 0.00 2.02 2.10 0.00 3.66 0.00 0.00 3.56 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 90 E 7.78 4.93 0.00 1.93 1.73 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 2.18 2.39 0.00 91 I 8.91 4.45 1.86 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 1.21 0.64 0.82 0.00 0.00 92 M 8.62 4.79 0.00 1.73 1.88 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.41 0.00 93 V 9.05 4.42 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 0.81 0.00 0.00 0.17 0.00 0.00 94 I 8.86 4.57 2.16 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 1.33 0.84 1.00 0.00 0.00 95 G 7.92 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 0.00 0.00 0.00 96 G 8.20 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 0.00 0.00 0.00 0.00 97 G 8.89 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 0.00 0.00 0.00 98 R 7.99 3.99 0.00 1.87 2.03 0.00 3.53 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.67 0.00 99 V 7.73 3.70 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 1.14 0.00 0.00 0.99 0.00 0.00 100 Y 8.00 4.50 0.00 3.14 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 0.00 101 E 8.27 4.03 0.00 2.18 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 2.36 2.52 0.00 102 Q 8.11 4.07 0.00 2.17 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 103 F 8.28 4.54 0.00 3.20 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.19 4.14 0.00 2.04 1.80 1.07 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 4.40 0.00 2.10 2.15 0.00 3.90 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.23 0.00 106 K 8.06 4.35 0.00 2.01 1.96 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.47 7.81 107 A 7.46 4.60 1.66 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 0.00 0.00 108 Q 9.37 4.67 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.66 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 109 K 8.23 5.47 0.00 1.93 1.70 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.13 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.95 1.51 7.81 110 L 8.99 5.24 0.00 1.14 1.09 -0.48 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 111 Y 9.39 5.16 0.00 2.86 3.07 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 0.00 112 L 9.67 5.09 0.00 1.33 1.14 0.40 -0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 113 T 8.59 4.89 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 1.03 0.00 0.00 114 H 9.17 5.09 0.00 2.98 3.20 0.00 5.56 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 I 8.41 4.66 1.50 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.24 0.50 0.00 0.00 116 D 8.60 4.86 0.00 2.62 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 7.69 4.79 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 E 9.00 4.66 0.00 2.01 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 2.30 2.33 0.00 119 V 8.13 4.42 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 0.75 0.00 0.00 0.94 0.00 0.00 120 E 8.79 4.32 0.00 1.99 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 2.31 2.30 0.00 121 G 8.15 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 0.00 0.00 0.00 0.00 122 D 8.60 4.55 0.00 2.68 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 0.00 123 T 7.61 4.45 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 124 H 8.62 5.47 0.00 3.05 3.26 0.00 5.70 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 9.36 4.32 0.00 3.05 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 0.00 126 P 0.00 4.26 0.00 1.84 1.89 0.00 2.20 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.91 0.00 127 D 8.60 4.49 0.00 2.65 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 0.00 128 Y 8.05 4.89 0.00 2.99 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.92 4.36 0.00 2.30 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 2.35 1.89 0.00 130 P 0.00 4.68 0.00 2.16 2.37 0.00 3.65 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.19 0.00 131 D 8.07 4.77 0.00 2.69 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 D 9.46 4.95 0.00 3.00 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 0.00 133 W 7.97 5.64 0.00 3.28 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 0.00 134 E 9.49 4.69 0.00 2.05 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 2.28 2.28 0.00 135 S 8.91 4.73 0.00 4.10 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 0.00 136 V 8.78 4.39 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 0.87 0.00 0.00 1.05 0.00 0.00 137 F 7.98 4.98 0.00 3.22 2.93 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 0.00 138 S 7.31 4.86 0.00 3.78 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 0.00 139 E 8.99 4.32 0.00 1.59 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.21 0.00 140 F 8.63 4.69 0.00 2.89 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 0.00 141 H 7.05 4.39 0.00 1.40 2.36 0.00 5.66 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 D 8.50 4.78 0.00 2.50 2.55 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 0.00 143 A 8.30 4.50 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 0.00 144 D 8.74 4.50 0.00 2.88 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 0.00 145 A 8.69 3.92 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 0.00 146 Q 7.79 4.50 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.55 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 147 N 8.58 5.21 0.00 2.89 2.74 0.00 0.00 6.58 7.84 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 0.00 148 S 8.86 4.13 0.00 3.99 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 0.00 149 H 7.70 5.04 0.00 2.94 3.23 0.00 5.89 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 S 8.58 4.40 0.00 3.84 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 0.00 151 Y 7.28 4.76 0.00 2.52 2.64 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 0.00 152 C 8.92 4.74 0.00 2.96 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 0.00 153 F 8.40 4.91 0.00 2.70 1.67 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 0.00 154 E 9.74 5.30 0.00 2.00 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 2.26 2.54 0.00 155 I 8.97 5.11 1.99 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.06 0.62 0.00 0.00 156 L 9.11 5.37 0.00 1.43 1.73 0.71 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 157 E 9.21 5.32 0.00 1.94 1.85 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 2.25 2.26 0.00 158 R 8.72 3.55 0.00 0.67 1.48 0.00 3.08 0.00 0.00 3.04 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.99 0.00 159 R 7.96 4.22 0.00 2.05 1.80 0.00 3.26 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.41 0.00 * Residues marked with a * may have inaccurate shift predictions.