NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3420 8.3027 121.4803 56.3514 31.7380 177.6357 4 N 4.3775 8.2143 116.5757 55.7172 38.8382 175.0095 5 L 3.9959 8.1198 121.7547 58.0720 42.5232 177.4813 6 Y 3.9272 7.9691 117.8507 60.9064 38.8175 177.7565 7 F 4.2665 7.9345 117.0545 60.4932 39.3310 176.9694 8 Q 4.3160 8.7806 119.8372 59.1542 28.7740 179.4635 9 G 3.4244 8.2439 103.6321 45.5818 0.0000 175.2563 *11 S 4.4319 8.0214 118.8409 58.3617 65.0646 176.0135 12 D 4.3488 8.0887 120.0062 57.3431 40.3496 179.1306 13 V 3.5497 7.8632 118.6788 65.8897 31.5783 178.0951 14 I 3.8155 7.6315 118.9823 64.7129 37.1321 178.2378 15 E 4.1443 8.4348 119.3455 59.1224 29.1346 179.8268 16 G 3.5901 8.3205 106.2079 47.8560 0.0000 175.9487 17 R 3.9388 8.2899 121.0705 58.8956 30.0409 178.9535 18 L 4.0539 7.9497 120.0081 58.1132 42.1135 179.1257 19 K 4.2940 8.1119 119.7941 59.0719 31.7520 179.1429 20 E 4.0127 8.2577 118.0049 59.1672 29.4498 178.7274 21 L 4.3297 7.5786 116.5835 55.3046 41.9412 177.7085 22 G 3.8195 7.9767 107.2893 44.8454 0.0000 173.3202 23 F 4.9326 8.3400 118.8118 55.5022 41.4897 174.5762 24 T 4.6582 8.2526 114.2503 59.4530 70.7932 174.2938 25 L 4.1342 8.3333 124.2239 54.0084 42.2215 175.5916 26 P 4.6193 0.0000 0.0000 62.2024 33.1627 179.9555 27 V 3.8660 7.6807 118.9956 62.4767 30.7707 177.8911 *33 A 4.0384 8.3905 121.6180 51.6042 18.9121 176.3510 34 N 4.5962 8.5680 115.1800 54.5491 38.9631 175.1772 35 Y 4.9087 7.4896 115.7222 54.9460 39.8680 175.1424 36 V 4.3806 7.8820 113.5970 58.5024 35.2304 174.9497 37 P 4.7011 0.0000 0.0000 65.8496 32.0575 175.7420 38 F 5.5864 6.7881 110.0996 56.1076 41.0072 173.5903 39 T 4.9907 9.2070 109.3642 60.2201 72.6526 172.5404 40 I 5.1854 8.4667 122.0598 59.6648 40.7624 175.0312 41 S 4.5854 9.1280 121.0026 57.1790 65.3808 173.8149 42 G 3.8874 8.4575 118.3085 47.2684 0.0000 173.3247 43 N 4.8843 8.8533 121.5882 52.0035 37.4893 172.9506 44 L 5.0637 8.1886 119.7326 53.4828 44.3556 175.0081 45 L 5.0395 9.1919 126.6670 53.7529 44.2168 174.5306 46 Y 4.8730 9.1568 125.2331 56.6954 39.6431 174.7747 47 V 4.9078 8.6625 125.7500 61.0803 33.4618 175.6933 48 S 4.5647 9.1087 124.6515 58.3352 63.7687 174.4749 49 G 4.0004 8.7521 108.8571 46.7501 0.0000 172.6776 50 Q 4.9204 9.3255 124.6047 54.3410 31.5537 175.1348 51 L 5.2144 8.3632 121.9786 52.3476 44.7051 174.1242 52 P 4.3931 0.0000 0.0000 62.4740 33.0852 175.0922 *54 E 4.2337 8.6030 122.3410 57.4471 30.4803 175.6291 55 S 3.8038 9.7717 121.6201 59.7525 60.5696 173.3512 56 G 3.9384 8.5221 105.0437 45.6289 0.0000 174.0166 57 K 4.5543 7.7392 117.5313 53.9080 35.6598 176.3024 58 I 3.9378 8.1714 121.8601 61.2887 36.7399 176.2451 59 A 4.1720 8.8575 130.3954 53.7970 19.0355 177.5884 60 V 4.4069 7.6651 115.5743 61.3659 34.1240 174.1437 61 T 4.9470 8.5530 116.2206 60.5511 71.4584 173.5443 62 G 3.8569 9.0308 109.0516 44.5969 0.0000 172.2801 63 L 4.5523 8.7260 118.6956 53.5400 42.5109 177.1858 64 V 3.7122 8.5537 124.5813 64.0494 31.7285 176.8566 65 G 4.0207 8.9885 115.9480 45.3231 0.0000 172.9217 66 R 4.3904 7.3707 116.3789 57.4636 31.9235 175.5264 67 D 4.6793 8.5602 116.6052 55.1018 42.1086 177.5549 68 V 4.4213 7.2484 110.9456 58.7221 35.4427 174.8794 69 D 4.9376 8.1777 123.1584 52.0427 42.5840 177.6649 70 V 3.5471 8.1713 117.4382 66.0528 31.5581 177.4900 71 A 4.2727 7.8648 121.3205 54.8997 18.2997 179.6924 72 S 4.0983 8.7250 113.6872 61.6397 62.8039 176.8044 73 A 4.0220 8.2981 123.7709 55.1426 18.0299 179.6599 74 Q 4.1060 8.5453 117.1591 59.1259 28.6762 178.9697 75 R 4.4501 8.2654 120.5145 58.7939 30.0382 178.2994 76 A 3.9746 8.0785 120.3580 55.2401 18.4169 179.4740 77 A 3.9233 8.2465 119.3409 55.2442 18.3114 179.5401 78 E 3.7392 8.5471 117.4889 59.6597 29.5538 179.6639 79 L 3.8504 8.0652 118.9765 57.9732 41.5799 179.3461 80 C 4.2373 8.4485 116.8033 62.8160 27.9650 176.1143 81 A 3.8888 7.9781 122.3091 55.0437 17.8572 179.8490 82 V 3.4035 7.7633 116.9007 66.1667 31.5757 178.0382 83 N 4.3240 8.2726 116.2639 56.2203 38.2798 177.3321 84 I 3.7068 7.9556 121.4036 64.5675 37.1696 178.4774 85 L 3.9149 8.1502 119.6025 57.5766 41.3817 179.3573 86 A 3.9839 8.2888 121.0720 55.3829 18.2824 179.7687 87 Q 4.0202 8.1677 116.4623 58.9967 28.8238 178.9852 88 V 3.3360 7.8979 119.4543 65.8068 31.5263 177.8674 89 K 3.8058 8.2747 119.3151 59.4194 31.9812 178.4071 90 A 3.9341 7.9337 120.6684 55.2886 18.1296 179.2907 91 A 3.4154 7.4633 118.0904 54.5003 18.5071 178.9035 92 L 4.4097 7.6173 115.4903 53.5562 42.4103 176.5042 93 N 4.1052 9.0532 114.0380 54.4514 36.5549 175.4655 94 G 3.8999 8.9582 105.7893 45.1488 0.0000 174.0055 95 D 4.7991 7.6302 120.0075 52.1978 41.2057 176.8018 96 L 4.1056 8.2460 125.5120 56.9875 42.0388 179.9398 97 S 4.2472 7.8587 112.8777 60.9209 62.9793 175.2688 98 K 4.2514 8.0360 119.3829 56.4522 31.8866 176.3745 99 I 4.0599 7.4055 121.3902 61.5270 37.3643 176.0892 100 R 4.2731 8.8720 125.7140 58.6910 30.9192 177.3847 101 R 4.6550 7.4436 116.3106 55.1633 33.5597 173.8906 102 V 4.0321 8.7017 127.3357 62.9889 32.0103 176.5341 103 I 3.9041 8.7756 130.2833 63.9136 38.3519 176.3190 104 K 5.0317 7.7035 121.3125 55.1162 35.8191 174.2482 105 L 5.1140 8.8008 126.5404 52.9718 45.1282 175.0443 106 N 4.7854 8.7272 120.4400 51.4891 40.8773 174.0001 107 G 3.9852 8.6717 112.8703 44.4980 0.0000 171.8254 108 F 5.4853 8.9762 126.2941 55.6961 41.5226 175.1475 109 V 4.8082 8.8681 124.4929 60.5877 34.1125 174.4731 110 A 4.4292 9.0592 131.2708 52.5392 19.1134 176.2788 111 S 5.1217 8.5032 117.8150 56.9380 67.0569 174.8305 112 V 4.0098 8.4635 116.8011 60.5962 32.2851 175.8882 113 P 4.3517 0.0000 0.0000 65.0225 31.3419 177.4795 114 E 4.2124 8.1027 116.0471 57.0024 29.9636 175.9700 115 F 4.6252 8.1378 122.5906 57.5982 39.7179 175.4061 116 V 4.5025 7.2869 120.5182 60.0522 33.1408 175.4755 117 E 4.5374 5.9000 117.8315 55.6223 30.1504 178.5470 118 Q 4.2788 8.0106 120.3571 59.2947 28.8363 177.8217 119 H 4.2914 8.2658 115.9056 58.8087 28.3464 177.6093 120 L 3.9674 7.3453 120.2765 57.1363 41.7597 179.2021 121 V 3.7842 7.7986 118.2559 66.2515 31.5359 178.2362 122 I 3.8975 8.0446 119.0222 63.7573 36.8483 177.8505 123 N 4.3776 8.3823 117.9899 56.1150 38.1034 177.2297 124 G 3.6936 8.1127 107.0587 47.8118 0.0000 175.6211 125 A 3.9210 7.8435 122.8833 54.8999 18.5143 179.7278 126 S 4.1535 8.2429 113.8463 61.8709 62.8706 176.7231 127 N 4.3147 8.5151 119.5233 56.1390 38.2934 177.1811 128 L 3.9289 7.6657 121.6219 58.2639 42.2169 179.1288 129 I 3.6526 7.8918 119.4919 64.4494 37.0610 178.4258 130 A 4.0788 8.3198 121.7428 55.1598 17.9110 179.9210 131 T 3.7988 7.9167 113.9109 67.0142 68.6738 177.0180 132 V 3.8579 7.7260 112.5859 63.2054 31.7933 177.6680 133 L 4.4766 7.9287 116.7641 55.1548 43.0791 178.8435 134 G 3.7727 8.4211 107.8949 45.4652 0.0000 174.7437 135 E 3.8952 8.9312 118.9335 58.9791 29.8682 178.0546 136 P 4.3190 0.0000 0.0000 65.2426 31.4715 178.1660 137 G 3.6834 8.0907 106.0794 46.9982 0.0000 174.1362 138 R 4.1108 7.8488 120.6256 56.2152 30.5266 175.5153 139 H 5.3077 8.2138 116.7376 52.3421 32.1496 172.9059 140 A 4.3446 8.5549 121.6211 52.4883 19.6808 176.2722 141 R 5.6625 8.3288 116.9150 56.2324 33.2096 173.8032 142 A 4.9000 8.4536 123.8155 50.0648 22.9550 174.9711 143 A 5.0044 8.4713 121.1605 50.5253 21.7216 175.9273 144 V 4.5473 8.9895 115.1466 60.0166 36.5872 175.4213 145 G 4.5961 8.6769 109.6242 44.5773 0.0000 173.4640 *147 A 4.4702 8.4799 122.1872 51.6957 20.2788 176.7565 148 S 4.6047 7.2491 106.5257 58.3535 65.0412 175.1407 149 L 4.7772 7.5069 118.9788 51.9500 45.7487 174.2396 150 P 4.1158 0.0000 0.0000 64.6669 31.5858 176.8140 151 F 3.7106 8.7994 118.8383 58.0857 36.5972 174.7539 152 N 4.1898 8.3127 116.4340 54.1421 37.7482 173.5731 153 A 4.4890 7.9585 118.3493 52.7611 18.9060 179.0478 154 S 4.5577 8.6457 117.3140 60.2995 64.1045 174.5666 155 V 5.0244 7.6039 117.4865 61.2340 34.5844 173.9355 156 E 5.1149 9.4447 126.8174 54.6852 33.4999 174.2232 157 I 5.5178 9.1182 126.0280 58.7609 41.8464 174.3640 158 D 5.3447 8.6411 125.2002 51.9985 42.9225 174.3628 159 A 5.0880 8.4335 118.1850 50.8488 23.3039 175.2837 160 I 4.6381 8.5703 120.0365 59.3534 40.7815 174.9631 161 V 4.6706 8.8539 126.6149 60.9317 34.8076 173.8269 162 E 4.8456 9.2227 129.7821 55.6370 30.8621 175.0994 163 I 5.1335 8.6038 119.6157 58.8694 41.4587 175.0540 164 D 4.5605 8.6639 121.4370 54.6208 40.3439 176.7343 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 3 E 8.30 4.34 0.00 2.09 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 2.75 2.51 0.00 4 N 8.21 4.38 0.00 3.03 2.87 0.00 0.00 6.73 5.78 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 5 L 8.12 4.00 0.00 1.84 1.70 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 7.97 3.93 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 7 F 7.93 4.27 0.00 3.20 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.78 4.32 0.00 2.27 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.07 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 9 G 8.24 3.42 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 0.00 0.00 0.00 *11 S 8.02 4.43 0.00 4.09 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 12 D 8.09 4.35 0.00 2.86 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 13 V 7.86 3.55 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 1.09 0.00 0.00 0.93 0.00 0.00 14 I 7.63 3.82 1.98 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 1.78 0.73 0.90 0.00 0.00 15 E 8.43 4.14 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 2.33 2.43 0.00 16 G 8.32 3.59 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 0.00 17 R 8.29 3.94 0.00 2.03 2.01 0.00 3.30 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 18 L 7.95 4.05 0.00 1.81 1.90 0.95 0.47 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 19 K 8.11 4.29 0.00 2.05 1.85 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.52 7.81 20 E 8.26 4.01 0.00 2.15 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 2.55 0.00 21 L 7.58 4.33 0.00 2.04 1.97 1.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.98 3.82 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 0.00 23 F 8.34 4.93 0.00 3.08 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 24 T 8.25 4.66 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 1.23 0.00 0.00 25 L 8.33 4.13 0.00 1.67 1.66 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.62 0.00 2.18 2.07 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 27 V 7.68 3.87 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 0.81 0.00 0.00 0.94 0.00 0.00 *33 A 8.39 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.57 4.60 0.00 2.81 2.93 0.00 0.00 6.68 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 7.49 4.91 0.00 3.05 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 36 V 7.88 4.38 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 0.75 0.00 0.00 0.94 0.00 0.00 37 P 0.00 4.70 0.00 2.36 2.37 0.00 3.42 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.90 0.00 38 F 6.79 5.59 0.00 3.12 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 39 T 9.21 4.99 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 1.22 0.00 0.00 40 I 8.47 5.19 1.96 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 1.31 0.86 1.02 0.00 0.00 41 S 9.13 4.59 0.00 3.80 3.78 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 42 G 8.46 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 8.85 4.88 0.00 3.10 3.01 0.00 0.00 5.82 6.67 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 44 L 8.19 5.06 0.00 1.88 1.61 0.97 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 45 L 9.19 5.04 0.00 1.69 1.66 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 9.16 4.87 0.00 3.00 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 47 V 8.66 4.91 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 nan 0.00 0.00 0.95 0.00 0.00 48 S 9.11 4.56 0.00 3.98 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 49 G 8.75 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.33 4.92 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.60 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 51 L 8.36 5.21 0.00 1.53 1.63 1.16 1.16 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 52 P 0.00 4.39 0.00 2.13 2.37 0.00 3.76 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 *54 E 8.60 4.23 0.00 2.10 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 55 S 9.77 3.80 0.00 4.02 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 56 G 8.52 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 K 7.74 4.55 0.00 1.69 1.66 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.35 7.81 58 I 8.17 3.94 1.89 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.76 0.95 0.00 0.00 59 A 8.86 4.17 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 60 V 7.67 4.41 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 1.05 0.00 0.00 0.95 0.00 0.00 61 T 8.55 4.95 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 62 G 9.03 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 0.00 0.00 0.00 63 L 8.73 4.55 0.00 1.68 1.57 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.55 3.71 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 -0.16 0.00 0.00 0.76 0.00 0.00 65 G 8.99 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0.00 0.00 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 Q 8.55 4.11 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.75 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 75 R 8.27 4.45 0.00 2.02 2.18 0.00 3.46 0.00 0.00 3.42 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 76 A 8.08 3.97 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 77 A 8.25 3.92 1.40 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 78 E 8.55 3.74 0.00 2.12 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 79 L 8.07 3.85 0.00 1.84 1.72 1.04 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 80 C 8.45 4.24 0.00 3.08 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 81 A 7.98 3.89 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 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3.93 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.46 3.42 0.43 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 92 L 7.62 4.41 0.00 1.65 1.62 0.93 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 93 N 9.05 4.11 0.00 2.79 2.85 0.00 0.00 7.15 8.72 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 94 G 8.96 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 0.00 0.00 0.00 95 D 7.63 4.80 0.00 2.80 2.59 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 96 L 8.25 4.11 0.00 1.74 1.70 1.03 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 97 S 7.86 4.25 0.00 4.21 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 98 K 8.04 4.25 0.00 1.90 1.74 0.00 1.49 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.55 4.34 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 0.00 141 R 8.33 5.66 0.00 1.81 1.75 0.00 3.02 0.00 0.00 3.92 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 142 A 8.45 4.90 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 0.00 143 A 8.47 5.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 V 8.99 4.55 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 0.79 0.00 0.00 1.23 0.00 0.00 145 G 8.68 4.60 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 *147 A 8.48 4.47 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 0.00 148 S 7.25 4.60 0.00 3.91 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 L 7.51 4.78 0.00 1.88 1.56 1.12 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 150 P 0.00 4.12 0.00 2.32 1.92 0.00 3.87 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 2.12 2.06 0.00 151 F 8.80 3.71 0.00 3.25 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 0.00 152 N 8.31 4.19 0.00 2.97 2.89 0.00 0.00 7.08 8.66 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 0.00 153 A 7.96 4.49 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 0.00 154 S 8.65 4.56 0.00 3.84 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 V 7.60 5.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.01 0.00 0.00 156 E 9.44 5.11 0.00 2.15 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 2.43 2.51 0.00 157 I 9.12 5.52 1.85 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 0.87 0.11 0.84 0.00 0.00 158 D 8.64 5.34 0.00 3.12 2.95 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 0.00 0.00 0.00 159 A 8.43 5.09 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 0.00 160 I 8.57 4.64 1.65 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.50 0.37 0.00 0.00 161 V 8.85 4.67 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 0.93 0.00 0.00 0.86 0.00 0.00 162 E 9.22 4.85 0.00 2.03 1.87 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 2.27 2.24 0.00 163 I 8.60 5.13 1.82 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 1.33 0.82 0.85 0.00 0.00 164 D 8.66 4.56 0.00 2.45 2.50 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 * Residues marked with a * may have inaccurate shift predictions.