NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3114 8.2493 123.5808 52.4165 19.9544 176.1655 2 D 4.3618 9.8950 118.0514 54.1684 40.5022 175.2912 3 Q 5.1594 7.4941 113.6324 53.3399 29.6251 174.1621 4 L 4.4425 7.2016 114.1162 55.0986 42.8789 172.9662 5 T 4.1535 7.2797 118.6732 60.9376 67.7336 174.3597 6 E 4.3047 8.5922 118.8125 57.2400 28.9874 177.8571 7 E 4.2651 8.4602 122.9649 59.0452 30.1977 177.8917 8 Q 4.2004 7.7747 116.3734 57.9149 28.7070 177.9347 9 I 3.7918 7.6720 119.9595 63.1146 37.0314 177.1295 10 A 4.3886 7.4997 118.1646 53.5404 19.0467 179.0608 11 E 4.2405 7.8268 117.1963 59.3571 29.8398 178.9298 12 F 4.6155 8.8456 116.9033 59.7414 38.9618 177.3108 13 K 3.8827 7.8307 120.0462 58.7603 31.7159 178.5139 14 E 3.8922 7.5402 118.2920 59.4103 29.8458 178.6573 15 A 4.2568 8.5639 121.1236 55.5880 18.2977 179.0491 16 F 3.0680 7.8165 118.9849 61.1207 39.1953 176.9108 17 S 4.1283 7.8449 111.6182 59.3454 62.4878 175.7085 18 L 4.1282 7.6497 125.1739 58.0445 42.0257 177.9992 19 F 4.0888 8.5636 116.2415 60.1646 39.2727 175.4311 20 D 4.5552 7.3800 121.5427 52.8767 39.2293 176.4712 21 K 4.0532 8.1274 123.0171 57.7264 32.6603 177.6268 22 D 4.6832 8.0718 115.2257 52.6286 39.6503 176.5367 23 G 3.9171 7.7362 115.6423 42.1680 0.0000 177.6951 24 D 3.7690 8.8577 115.0213 56.5114 43.6978 174.8391 25 G 4.2762 8.4440 110.3007 45.2934 0.0000 173.3562 26 T 4.9854 7.9340 108.8000 60.0775 70.3194 174.5863 27 I 5.3555 9.1212 124.5349 59.5094 39.1973 175.8704 28 T 4.6171 8.5450 119.1028 60.9959 71.1862 175.3262 29 T 4.0042 8.5793 110.7295 64.9735 68.9520 176.6653 30 K 4.1106 8.0131 120.9804 59.1682 32.0709 179.0558 31 E 3.9508 7.8146 118.6656 59.3469 29.4703 179.0060 32 L 4.1815 7.7929 120.4590 58.1550 42.0560 179.3053 33 G 3.6039 8.6550 106.1341 47.9995 0.0000 175.9480 34 T 3.8413 7.5646 116.7501 66.3526 68.6871 176.5471 35 V 3.6367 7.7674 120.2035 65.6921 31.3728 178.0997 36 M 3.9447 7.9521 118.6240 58.5352 31.7363 178.9110 37 R 4.6701 7.8716 117.9409 58.1849 30.2944 178.2260 38 S 4.4123 7.7048 111.2375 58.9120 62.3197 174.1596 39 L 4.4410 7.9527 121.2305 54.8618 41.7504 177.7724 40 G 4.0737 8.5154 105.5552 45.3319 0.0000 173.5513 41 Q 4.4190 7.6108 118.7234 53.7167 31.1372 174.0089 42 N 4.9030 8.7992 122.0365 51.3719 39.4167 171.9232 43 P 4.8843 0.0000 0.0000 61.2862 34.0483 174.0206 44 T 4.5371 7.8533 107.9516 60.5282 70.6295 174.7111 45 E 4.0077 8.7403 116.9465 58.5781 30.3374 177.7189 46 A 4.5037 7.7985 120.9704 52.9548 20.3960 178.5871 47 E 4.0309 8.2856 115.9980 59.2554 28.8860 179.2789 48 L 4.1026 7.7343 119.3512 57.6125 41.6891 179.3532 49 Q 3.8814 7.7558 117.3040 58.8365 28.7753 177.9739 50 D 4.5262 8.0199 119.3005 56.5867 40.6050 178.0550 51 M 4.1912 7.5264 118.4281 57.1053 32.6080 177.7726 52 I 4.1007 7.3740 118.5911 62.8638 37.3399 177.3632 53 N 4.7921 8.0232 116.7986 54.5444 38.6822 175.4114 54 E 4.4692 7.3930 116.5513 56.1941 29.6806 177.1189 55 V 4.3127 7.5562 114.6071 62.8363 33.6978 174.5649 56 D 5.3120 7.7508 119.0324 51.1640 38.8011 176.5341 57 A 4.0350 8.5400 128.5191 55.9781 18.4537 179.4074 58 D 4.4494 8.4555 113.2288 58.4251 40.4832 178.6411 59 G 4.0569 6.9006 105.1106 48.4836 0.0000 175.4974 60 N 4.8863 8.9822 114.8222 52.6457 38.4129 176.2147 61 G 4.2947 8.7507 112.4017 46.2402 0.0000 174.2662 62 T 4.5982 7.3975 107.6673 59.6614 71.9953 173.3528 63 I 4.7659 7.9190 121.8064 59.7423 39.8794 175.8539 64 D 5.2984 8.9560 127.9271 51.4454 41.3716 177.4300 65 F 3.8813 8.5507 119.6372 60.7107 39.4161 174.5036 66 P 4.0388 0.0000 0.0000 65.7024 31.1669 178.1895 67 E 3.8840 8.1697 116.5200 59.5159 29.5540 179.2545 68 F 3.9263 8.4234 120.7075 61.2360 39.1884 176.9385 69 L 4.0445 7.8195 119.4419 58.1096 41.7924 178.8261 70 T 3.9369 7.5184 114.6231 66.5675 68.7757 175.2312 71 M 4.0163 8.0121 120.6921 59.1915 32.2166 178.1592 72 M 4.2149 7.5323 112.0573 55.9719 31.5080 175.5176 73 A 4.8644 7.5616 121.5868 50.4642 23.3057 178.9311 74 R 4.2360 8.4702 113.9850 56.3202 28.1901 177.4919 *75 K 4.1446 8.4784 115.0947 54.3986 33.5903 172.8025 *81 S 4.7388 8.4097 113.8202 57.9660 65.4555 173.1097 82 E 4.4573 8.0050 120.0119 56.1179 34.4138 181.2469 83 E 3.1520 9.1386 127.7376 56.4036 33.4222 177.3531 84 E 3.8955 7.8144 119.9244 59.1305 30.2715 179.5807 85 I 3.9645 8.2150 120.4725 64.6133 37.1374 178.4025 86 R 4.2108 9.1082 120.0708 59.8694 29.7149 178.9439 87 E 4.0602 8.1982 116.2523 59.3125 29.9060 178.7688 88 A 4.2355 8.3368 121.0099 55.1129 18.6110 179.4385 89 F 3.7098 9.5502 120.3985 61.2533 39.1380 177.5055 90 R 3.9419 7.6940 116.8652 58.5213 29.8973 178.6283 91 V 3.5431 7.1162 117.2831 65.9133 31.5045 177.8400 92 F 4.1970 7.2918 115.4854 60.0153 40.4645 177.0962 93 D 4.5481 7.5027 117.7210 53.1943 37.2014 176.7654 94 K 3.7970 7.7890 122.1451 59.8297 32.7147 178.0112 95 D 4.4955 8.2275 116.4300 55.7400 39.9970 178.0808 96 G 4.2242 7.1528 106.4766 48.2418 0.0000 175.6208 97 N 4.8184 8.2146 114.0431 52.4687 38.0141 175.8729 98 G 4.0137 10.1574 107.3032 45.3379 0.0000 172.2601 99 Y 4.9891 7.5767 113.4655 56.9493 42.8020 174.0047 100 I 4.6387 9.4004 124.0921 59.3716 40.5574 175.5250 101 S 4.9743 8.8763 125.2362 57.3264 64.9359 174.9375 102 A 4.0913 8.6314 119.8847 54.5508 18.1146 179.3357 103 A 3.9389 7.8853 119.3330 54.7587 18.5190 179.5950 104 E 3.8739 8.2766 117.2887 59.4208 29.5519 178.7813 105 L 4.0854 8.0092 119.9467 58.5559 41.8769 178.8666 106 R 3.8962 7.6797 118.2757 59.7103 30.0228 178.2064 107 H 4.2576 7.9140 115.6154 58.9659 28.5371 177.6374 108 V 3.5681 7.3206 118.4531 66.7740 31.4863 177.6521 109 M 4.1917 8.2050 117.8479 59.4609 31.8079 178.6673 110 T 4.0631 7.9023 113.8966 67.2991 68.4997 175.0728 111 N 4.1664 8.2199 123.0802 57.1678 39.2932 176.8303 112 L 4.0787 7.6735 120.6047 56.4672 42.1991 176.2959 113 G 3.6742 8.0372 110.2935 45.8230 0.0000 174.6203 114 E 4.0363 8.1840 119.4170 56.7823 29.9175 176.2623 115 K 4.4021 8.3428 122.4456 54.8609 32.8066 175.4301 116 L 4.6384 7.9187 123.7299 52.4686 44.0504 176.5744 117 T 4.1896 8.1109 111.3916 61.3771 69.6535 174.0233 118 D 5.0665 8.3257 121.8464 53.2257 39.3055 176.3242 119 E 5.9800 7.7458 135.0000 56.1758 30.3090 177.9428 120 E 5.0729 7.9057 119.3286 56.7936 30.5559 178.5082 121 V 3.6934 7.6361 119.1713 64.7908 31.6180 178.0598 122 D 4.3014 8.0263 119.1567 57.0340 40.8810 177.8982 123 E 3.7593 8.2898 119.3062 59.7074 29.2231 178.8335 124 M 4.0434 7.6203 117.0404 58.4115 32.4769 178.3545 125 I 3.8298 8.3492 120.1024 64.5530 37.4961 178.1382 126 R 3.8915 8.6608 120.3011 59.9778 29.5491 178.1961 127 E 4.0380 8.1390 116.5296 58.5992 29.4595 178.2314 128 A 4.8228 7.6243 117.9454 50.7300 19.4925 175.9039 129 D 4.6673 7.4378 119.5872 53.4453 40.7200 176.1847 130 I 3.9327 7.6879 129.4262 63.1951 37.8172 177.1744 131 D 4.3885 8.2286 124.9548 55.4916 39.4058 178.0318 132 G 4.1020 8.4531 106.0617 45.2760 0.0000 174.1386 133 D 4.3654 7.8232 117.2639 54.5012 39.8391 177.4595 134 G 3.9803 9.6816 108.4265 45.1516 0.0000 172.4383 135 Q 4.7681 7.7045 116.3849 54.3595 33.7356 174.0997 136 V 5.0658 9.1663 119.6309 60.4604 33.9337 174.6170 137 N 5.0825 9.0177 125.2258 50.8023 39.3124 175.0125 138 Y 3.3254 8.2386 119.6434 60.8476 38.4301 178.3204 139 E 3.7538 8.0264 118.3837 59.4586 29.5834 178.9347 140 E 4.0721 8.3276 117.5245 58.3741 29.2061 178.4084 141 F 4.4238 7.7346 119.8128 59.8622 40.2610 177.3456 142 V 3.4484 8.1284 118.6680 65.6475 31.4877 177.6617 143 Q 3.8153 7.8779 116.5946 59.4684 28.4902 179.3447 144 M 3.8310 7.3167 118.9074 58.5405 32.4837 177.0956 145 M 4.1580 8.1486 116.8154 56.4946 33.4136 176.8830 146 T 3.8980 6.7352 107.4775 63.4384 68.7237 173.5092 147 A 4.0389 7.6187 127.8393 52.4324 19.0759 175.6941 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 A 8.25 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 2 D 9.89 4.36 0.00 2.85 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 3 Q 7.49 5.16 0.00 2.26 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.42 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 4 L 7.20 4.44 0.00 1.47 1.50 0.62 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.28 4.15 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 6 E 8.59 4.30 0.00 2.22 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 0.00 2.36 2.36 0.00 7 E 8.46 4.27 0.00 2.06 2.01 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 2.30 2.36 0.00 8 Q 7.77 4.20 0.00 2.18 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.60 0.00 0.00 0.00 0.00 0.00 2.77 2.59 0.00 9 I 7.67 3.79 1.86 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 1.44 0.91 1.01 0.00 0.00 10 A 7.50 4.39 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 11 E 7.83 4.24 0.00 2.44 2.19 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 2.42 2.61 0.00 12 F 8.85 4.62 0.00 3.35 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 13 K 7.83 3.88 0.00 1.83 1.62 0.00 1.27 0.00 0.00 1.41 0.00 0.00 2.70 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.30 0.60 7.81 14 E 7.54 3.89 0.00 2.25 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 2.37 2.52 0.00 15 A 8.56 4.26 1.61 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 16 F 7.82 3.07 0.00 2.94 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 17 S 7.84 4.13 0.00 3.87 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 18 L 7.65 4.13 0.00 1.92 1.74 1.00 0.56 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 19 F 8.56 4.09 0.00 2.78 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 20 D 7.38 4.56 0.00 2.10 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 0.00 0.00 0.00 0.00 21 K 8.13 4.05 0.00 1.73 1.83 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.44 7.81 22 D 8.07 4.68 0.00 2.81 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 23 G 7.74 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 0.00 0.00 0.00 24 D 8.86 3.77 0.00 3.07 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 25 G 8.44 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 26 T 7.93 4.99 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 1.29 0.00 0.00 27 I 9.12 5.36 2.01 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 0.90 1.26 1.05 0.00 0.00 28 T 8.55 4.62 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 1.25 0.00 0.00 29 T 8.58 4.00 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 1.32 0.00 0.00 30 K 8.01 4.11 0.00 1.83 1.91 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.55 7.81 31 E 7.81 3.95 0.00 2.19 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 0.00 2.57 2.31 0.00 32 L 7.79 4.18 0.00 1.86 1.89 1.09 1.11 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 33 G 8.65 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 34 T 7.56 3.84 4.26 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 1.17 0.00 0.00 35 V 7.77 3.64 1.79 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 0.59 0.00 0.00 0.53 0.00 0.00 36 M 7.95 3.94 0.00 2.11 2.25 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.58 0.00 37 R 7.87 4.67 0.00 1.74 1.98 0.00 3.10 0.00 0.00 2.99 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 38 S 7.70 4.41 0.00 3.82 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 39 L 7.95 4.44 0.00 1.79 1.53 0.79 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.52 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 41 Q 7.61 4.42 0.00 1.86 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 42 N 8.80 4.90 0.00 2.64 2.71 0.00 0.00 7.11 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 43 P 0.00 4.88 0.00 2.21 2.05 0.00 3.80 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 1.91 1.93 0.00 44 T 7.85 4.54 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 45 E 8.74 4.01 0.00 2.15 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 0.00 2.35 2.25 0.00 46 A 7.80 4.50 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 47 E 8.29 4.03 0.00 2.05 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 2.34 2.35 0.00 48 L 7.73 4.10 0.00 2.02 1.73 0.94 0.95 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 49 Q 7.76 3.88 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 50 D 8.02 4.53 0.00 2.90 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 51 M 7.53 4.19 0.00 1.97 2.15 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.59 0.00 52 I 7.37 4.10 2.03 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 1.59 0.93 0.98 0.00 0.00 53 N 8.02 4.79 0.00 2.72 2.88 0.00 0.00 6.96 7.74 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 54 E 7.39 4.47 0.00 2.21 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 2.44 2.24 0.00 55 V 7.56 4.31 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 0.81 0.00 0.00 0.90 0.00 0.00 56 D 7.75 5.31 0.00 3.04 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 57 A 8.54 4.04 1.30 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 0.00 0.00 58 D 8.46 4.45 0.00 2.80 2.77 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 59 G 6.90 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 0.00 0.00 0.00 60 N 8.98 4.89 0.00 2.82 3.01 0.00 0.00 6.95 7.08 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 61 G 8.75 4.29 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 0.00 62 T 7.40 4.60 4.32 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 1.26 0.00 0.00 63 I 7.92 4.77 2.03 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 1.35 0.76 1.14 0.00 0.00 64 D 8.96 5.30 0.00 2.77 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 65 F 8.55 3.88 0.00 2.18 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 66 P 0.00 4.04 0.00 2.12 1.99 0.00 3.66 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 67 E 8.17 3.88 0.00 2.23 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 0.00 2.40 2.31 0.00 68 F 8.42 3.93 0.00 3.37 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 69 L 7.82 4.04 0.00 0.35 1.29 0.68 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.52 3.94 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 1.15 0.00 0.00 71 M 8.01 4.02 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.31 0.00 72 M 7.53 4.21 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.30 0.00 73 A 7.56 4.86 1.30 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 0.00 0.00 74 R 8.47 4.24 0.00 1.92 1.78 0.00 3.24 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 *75 K 8.48 4.14 0.00 1.54 1.66 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 *81 S 8.41 4.74 0.00 3.85 3.96 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 82 E 8.00 4.46 0.00 2.09 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 2.37 2.42 0.00 83 E 9.14 3.15 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 84 E 7.81 3.90 0.00 2.29 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 2.44 2.56 0.00 85 I 8.21 3.96 2.07 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.13 1.15 0.00 0.00 86 R 9.11 4.21 0.00 2.00 2.06 0.00 3.16 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 87 E 8.20 4.06 0.00 2.01 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 2.35 2.35 0.00 88 A 8.34 4.24 1.78 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 0.00 0.00 89 F 9.55 3.71 0.00 3.22 3.36 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 90 R 7.69 3.94 0.00 1.94 1.95 0.00 3.24 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 91 V 7.12 3.54 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 0.52 0.00 0.00 0.86 0.00 0.00 92 F 7.29 4.20 0.00 2.71 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 93 D 7.50 4.55 0.00 2.04 2.23 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 94 K 7.79 3.80 0.00 1.76 1.86 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.39 7.81 95 D 8.23 4.50 0.00 2.72 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 96 G 7.15 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 97 N 8.21 4.82 0.00 2.87 3.04 0.00 0.00 7.10 6.88 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 98 G 10.16 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 99 Y 7.58 4.99 0.00 2.92 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 0.00 100 I 9.40 4.64 1.63 0.00 0.00 0.51 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 1.44 0.71 0.00 0.00 101 S 8.88 4.97 0.00 3.97 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 0.00 102 A 8.63 4.09 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 0.00 103 A 7.89 3.94 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 0.00 104 E 8.28 3.87 0.00 2.29 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 0.00 2.52 2.33 0.00 105 L 8.01 4.09 0.00 1.71 1.70 0.95 0.94 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 0.00 106 R 7.68 3.90 0.00 2.02 1.95 0.00 3.14 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 107 H 7.91 4.26 0.00 3.22 3.35 0.00 5.72 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.32 3.57 2.40 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 0.69 0.00 0.00 0.89 0.00 0.00 109 M 8.21 4.19 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.92 0.00 110 T 7.90 4.06 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 1.22 0.00 0.00 111 N 8.22 4.17 0.00 2.68 3.09 0.00 0.00 7.34 8.05 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 0.00 112 L 7.67 4.08 0.00 1.91 1.78 0.78 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.04 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 0.00 114 E 8.18 4.04 0.00 2.11 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 2.42 2.29 0.00 115 K 8.34 4.40 0.00 1.67 1.66 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.54 7.81 116 L 7.92 4.64 0.00 1.66 1.84 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.11 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 1.26 0.00 0.00 118 D 8.33 5.07 0.00 2.69 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 0.00 119 E 7.75 5.98 0.00 2.01 2.01 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 2.06 2.07 0.00 120 E 7.91 5.07 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 121 V 7.64 3.69 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.96 0.00 0.00 122 D 8.03 4.30 0.00 2.71 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 0.00 123 E 8.29 3.76 0.00 2.04 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 0.00 2.40 2.44 0.00 124 M 7.62 4.04 0.00 2.08 2.33 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 2.93 2.60 0.00 125 I 8.35 3.83 1.88 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 1.65 0.84 0.93 0.00 0.00 126 R 8.66 3.89 0.00 2.01 2.11 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 127 E 8.14 4.04 0.00 2.17 2.01 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 2.36 2.60 0.00 128 A 7.62 4.82 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 0.00 129 D 7.44 4.67 0.00 2.71 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 0.00 130 I 7.69 3.93 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 1.47 0.65 0.92 0.00 0.00 131 D 8.23 4.39 0.00 2.74 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 0.00 132 G 8.45 4.10 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 0.00 0.00 0.00 133 D 7.82 4.37 0.00 2.78 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 0.00 134 G 9.68 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 0.00 135 Q 7.70 4.77 0.00 1.97 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.71 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 136 V 9.17 5.07 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 1.38 0.00 0.00 0.98 0.00 0.00 137 N 9.02 5.08 0.00 2.35 2.72 0.00 0.00 6.30 7.55 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 0.00 138 Y 8.24 3.33 0.00 2.58 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 0.00 139 E 8.03 3.75 0.00 2.16 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 2.37 2.42 0.00 140 E 8.33 4.07 0.00 2.09 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 2.34 2.50 0.00 141 F 7.73 4.42 0.00 3.02 2.98 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 0.00 142 V 8.13 3.45 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 0.87 0.00 0.00 0.50 0.00 0.00 143 Q 7.88 3.82 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.50 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 144 M 7.32 3.83 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.31 0.00 145 M 8.15 4.16 0.00 1.72 1.74 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 146 T 6.74 3.90 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 147 A 7.62 4.04 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 * Residues marked with a * may have inaccurate shift predictions.