NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.6655 8.0932 114.8049 57.6038 64.5161 174.1744 2 L 3.8359 8.4506 121.2844 57.6947 41.1540 179.4417 3 F 4.5954 8.4185 119.1455 60.6997 38.8585 177.2547 4 E 4.1330 8.1312 117.7950 59.1487 29.2982 178.8045 5 L 4.1428 8.2649 120.6334 58.2325 42.1161 179.2914 6 G 3.6715 8.5406 105.9329 47.6315 0.0000 175.3300 7 K 3.8993 8.1606 122.3130 59.6714 32.2511 178.6720 8 M 4.0984 8.4936 119.1712 58.4410 31.8413 178.8393 9 I 3.6244 7.9068 119.9523 64.1975 37.2081 178.1395 10 L 4.1966 8.0195 122.6015 57.7284 41.6861 179.0791 11 Q 3.6258 7.9674 116.9534 58.8378 28.6366 178.4836 12 E 4.2686 8.4613 118.8716 59.6159 29.7270 178.9216 13 T 4.2868 8.3445 108.2067 61.7292 69.4856 176.0614 14 G 3.8982 8.2318 108.5275 45.3257 0.0000 173.0142 15 K 4.4055 7.8269 119.2670 53.9370 34.1563 175.0793 16 N 4.4561 8.6373 120.2653 53.7023 39.3778 173.9316 17 P 4.4671 0.0000 0.0000 65.8738 31.9026 178.0172 18 A 4.1942 7.9744 120.1466 54.7148 18.2103 179.3517 19 K 3.9243 7.8966 116.4061 59.9633 32.8894 178.7963 20 S 4.4789 8.0407 117.0006 60.6246 62.5266 175.6609 *22 Y 5.2697 7.0365 115.0709 57.4283 39.7155 176.2086 23 G 3.6912 8.2771 110.8558 48.0817 0.0000 173.4010 24 A 4.5991 7.7043 122.7530 51.2124 20.2196 173.6450 25 Y 4.8810 9.2018 122.8445 57.5521 42.5154 175.4087 26 G 3.3551 8.3301 117.0169 46.8086 0.0000 173.0665 27 C 4.7212 9.4541 117.7239 57.4629 40.9936 174.0981 28 N 4.6593 8.4995 114.5620 53.1878 40.8713 173.8453 29 C 4.5223 8.6174 116.4774 57.7161 40.4428 172.8772 30 G 3.7730 8.5606 113.2291 43.2962 0.0000 172.6278 31 V 3.7758 8.2636 118.9772 64.0031 31.8350 176.5129 32 L 4.5625 7.6918 119.3639 53.1741 43.6139 179.5183 33 G 4.1154 8.2902 107.8211 45.5919 0.0000 173.4552 34 R 4.7276 8.0704 125.2734 54.7263 32.7561 174.7558 35 G 4.0848 8.5732 105.5395 45.3565 0.0000 173.5817 36 K 4.0482 9.1349 123.0065 55.9107 32.5114 175.0997 37 P 4.4976 0.0000 0.0000 62.4810 31.9019 176.8567 38 K 3.7358 8.5219 121.6047 58.6765 32.3713 176.0545 39 D 4.3164 7.0325 115.8144 51.5167 41.8496 176.0404 40 A 3.9331 8.3939 119.9392 55.6898 17.7200 179.6608 41 T 3.7962 8.0031 113.7861 67.0330 68.4929 176.1075 42 D 4.4379 8.8982 120.1812 57.3036 41.1504 178.1820 43 R 3.8352 8.2184 119.6256 59.3917 29.9249 177.6399 44 C 4.1835 8.2915 116.4655 60.5408 40.4530 175.6843 45 C 4.1450 7.8309 117.1136 59.7952 40.4728 175.2521 46 Y 4.0570 8.2928 121.5649 60.8974 38.3314 178.5030 47 V 3.6624 8.3377 119.2430 66.3223 31.6020 177.2423 48 H 3.9694 8.4076 118.0949 59.4384 29.5425 177.3603 49 K 3.7302 8.1433 120.2644 59.4559 31.5618 178.7983 50 C 4.1867 7.8506 116.2037 59.8420 40.1327 174.8225 51 C 4.3468 8.4315 119.5950 59.9626 44.7006 175.1360 52 Y 4.3074 8.1113 118.1087 61.2787 37.3226 178.4748 53 K 3.7605 8.1172 118.2050 59.3416 32.1882 178.0384 *57 K 4.2722 7.8833 117.8628 55.9793 33.9102 175.7900 58 L 4.2546 7.6906 118.9354 54.5852 42.1161 176.3496 59 T 4.5828 8.2726 111.6262 60.9442 71.6895 174.1625 60 G 4.0408 10.1801 111.2805 45.5061 0.0000 172.2512 61 C 4.5777 7.5404 111.7405 54.4806 44.5398 172.6350 *67 N 4.9039 8.3132 118.4100 52.9336 38.7802 173.2212 68 P 3.9095 0.0000 0.0000 65.2602 31.7760 179.0889 69 K 4.1342 8.1178 117.2845 58.3795 32.4397 178.6894 70 K 4.0670 8.0503 116.6294 57.3483 33.1809 176.6213 71 D 4.5850 8.0808 119.6277 53.3540 41.1030 176.7448 72 R 4.2314 8.6471 123.0726 56.0001 30.7726 175.0960 73 Y 5.0105 7.3818 116.8680 55.9923 41.0507 173.9454 74 S 4.9815 10.1256 118.3004 57.7712 64.1013 173.4845 75 Y 5.3199 8.3093 121.0063 56.0938 41.2549 173.3286 76 S 4.7656 9.4665 113.7918 56.3612 67.3000 172.8622 77 W 5.3372 8.9294 130.1378 55.8644 31.9224 174.5320 78 K 4.4061 8.8314 127.3142 55.8438 34.6012 176.8236 79 D 4.3706 9.4553 123.9038 55.9303 38.4095 173.3767 80 K 2.0000 7.0401 109.7355 57.1232 30.2331 175.7934 81 T 4.3770 6.6470 112.9151 61.3933 71.7347 173.5130 82 I 4.7785 8.3532 125.9535 61.1643 38.2439 175.4124 83 V 4.3789 9.1426 127.5996 61.1117 34.1248 173.8102 84 C 4.6926 8.8185 126.6367 56.3083 41.4322 174.7567 *86 G 4.4545 8.4678 111.9425 45.7607 0.0000 172.1362 87 E 4.9101 8.3263 118.4664 54.3257 32.1751 176.1292 88 N 4.5803 8.4442 119.6655 55.1357 39.6155 176.6067 89 N 4.3507 8.0302 117.1305 52.9430 38.1201 175.2912 90 S 4.0417 8.8116 119.9737 61.5943 62.4703 176.7567 91 C 4.1935 8.0202 120.3316 59.7698 41.0581 175.3945 92 L 3.9211 7.7970 120.1159 57.3412 41.1362 179.3214 93 K 3.7848 8.3683 120.1332 59.6157 32.1445 178.7410 94 E 3.8792 8.2993 119.0774 59.1809 29.2500 179.2593 95 L 3.8254 8.2020 120.7630 58.2274 42.1881 178.0031 96 C 3.3033 7.8297 118.7594 59.6741 43.0710 175.5109 97 E 3.9316 8.2033 120.0463 59.0717 29.0353 178.5160 98 C 4.2871 8.4730 117.2245 60.2949 41.4845 175.9563 99 D 4.3633 8.3634 120.3622 57.1783 40.3730 178.6931 100 K 3.8123 8.4763 120.3575 59.4541 32.1459 178.5883 101 A 3.9856 8.2773 121.5326 55.1732 18.2882 180.0202 102 V 3.4753 7.8834 117.4416 64.7453 31.4335 178.4575 103 A 3.8085 8.0581 121.5177 54.8927 18.1679 179.6935 104 I 3.7967 8.0674 118.6956 64.5654 37.2833 177.7749 105 C 4.3440 8.4701 119.6896 59.7103 43.2439 175.5225 106 L 3.7919 8.0325 119.3728 57.7378 41.4480 179.1382 107 R 4.0358 7.9483 118.4051 59.7163 29.8305 178.3341 108 E 4.0843 8.3632 117.1045 58.6686 29.6274 178.2158 109 N 5.0884 7.6110 114.0544 53.0731 39.2593 176.5587 110 L 4.1811 8.0212 124.4935 57.7719 41.4120 178.9813 111 N 4.5246 8.3001 115.1142 54.9145 37.4421 175.4551 112 T 4.5201 7.6843 107.2615 60.9041 69.6769 173.6382 113 Y 4.0070 7.8451 124.2050 58.5799 39.2356 174.7014 114 N 5.0673 9.1646 124.9289 51.4347 41.0920 174.7986 115 K 3.9949 8.9213 126.4797 59.2969 32.3106 179.0889 116 K 3.9401 8.0231 116.7307 58.9135 32.7055 177.2335 117 Y 4.4763 7.5336 117.2230 58.1320 37.3726 175.6974 118 R 4.0585 7.6723 121.2195 57.4918 30.4405 176.3952 119 Y 3.9925 8.2234 119.4504 58.8506 36.0468 169.7310 120 Y 4.0559 7.3070 120.3006 57.8183 39.4348 175.8302 121 L 4.1619 7.7091 126.4999 54.1375 42.3189 177.6260 122 K 3.9615 9.0429 124.2236 59.3135 32.0651 177.2797 123 P 4.4290 0.0000 0.0000 64.4253 31.2172 176.8228 124 L 4.3151 7.9068 117.6588 55.3593 41.8469 175.7152 125 C 4.6737 8.5025 118.9643 55.9703 38.4307 173.1730 *128 K 4.3861 8.4477 122.1080 55.7479 33.6857 175.1193 129 K 4.4133 8.6206 123.8621 56.3083 32.7943 176.5869 130 A 4.3069 8.6270 130.0917 51.8640 19.1012 177.1129 131 D 4.5587 8.7037 121.2398 53.9405 41.6131 176.5170 132 A 4.1413 8.3213 123.7196 52.2996 19.0508 178.6191 133 C 4.4763 8.6703 117.2058 57.4170 41.2283 173.9603 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 S 8.09 4.67 0.00 4.00 4.11 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 2 L 8.45 3.84 0.00 1.47 1.76 0.89 1.05 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 3 F 8.42 4.60 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 E 8.13 4.13 0.00 1.83 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 1.56 2.36 0.00 5 L 8.26 4.14 0.00 2.10 1.94 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.54 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 7 K 8.16 3.90 0.00 2.09 2.14 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.46 7.81 8 M 8.49 4.10 0.00 2.00 2.20 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.15 0.00 9 I 7.91 3.62 2.02 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.58 0.89 0.00 0.00 10 L 8.02 4.20 0.00 1.73 1.82 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 7.97 3.63 0.00 1.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.74 0.00 0.00 0.00 0.00 0.00 1.59 2.23 0.00 12 E 8.46 4.27 0.00 1.96 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 0.00 2.58 2.42 0.00 13 T 8.34 4.29 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 14 G 8.23 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 15 K 7.83 4.41 0.00 1.81 1.56 0.00 1.52 0.00 0.00 1.48 0.00 0.00 2.74 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.30 1.22 7.81 16 N 8.64 4.46 0.00 2.76 2.71 0.00 0.00 6.86 7.71 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 17 P 0.00 4.47 0.00 2.36 2.27 0.00 3.85 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.29 0.00 18 A 7.97 4.19 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 19 K 7.90 3.92 0.00 1.90 1.97 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.60 7.81 20 S 8.04 4.48 0.00 3.48 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *22 Y 7.04 5.27 0.00 3.15 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 23 G 8.28 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 24 A 7.70 4.60 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 25 Y 9.20 4.88 0.00 3.04 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 26 G 8.33 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 0.00 0.00 0.00 27 C 9.45 4.72 0.00 3.06 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 28 N 8.50 4.66 0.00 3.04 2.90 0.00 0.00 6.97 7.39 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 29 C 8.62 4.52 0.00 3.49 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.56 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 31 V 8.26 3.78 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 0.83 0.00 0.00 0.97 0.00 0.00 32 L 7.69 4.56 0.00 1.71 1.67 0.98 0.91 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 33 G 8.29 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 34 R 8.07 4.73 0.00 1.63 1.90 0.00 3.02 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.50 0.00 35 G 8.57 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 9.13 4.05 0.00 1.71 1.73 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.70 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.35 7.81 37 P 0.00 4.50 0.00 1.90 1.93 0.00 3.47 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 38 K 8.52 3.74 0.00 0.79 0.74 0.00 1.44 0.00 0.00 1.23 0.00 0.00 2.54 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.94 0.21 7.81 39 D 7.03 4.32 0.00 2.79 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 40 A 8.39 3.93 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 41 T 8.00 3.80 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 0.90 0.00 0.00 42 D 8.90 4.44 0.00 2.89 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 43 R 8.22 3.84 0.00 1.90 1.99 0.00 3.07 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 44 C 8.29 4.18 0.00 3.14 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 7.83 4.15 0.00 3.20 3.26 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 46 Y 8.29 4.06 0.00 2.97 3.06 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 47 V 8.34 3.66 2.26 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 0.96 0.00 0.00 1.05 0.00 0.00 48 H 8.41 3.97 0.00 3.20 3.33 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.14 3.73 0.00 1.76 1.69 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.47 7.81 50 C 7.85 4.19 0.00 3.05 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 8.43 4.35 0.00 3.05 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 52 Y 8.11 4.31 0.00 3.09 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 53 K 8.12 3.76 0.00 1.81 1.87 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.53 7.81 *57 K 7.88 4.27 0.00 1.73 2.17 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.47 7.81 58 L 7.69 4.25 0.00 1.91 1.50 0.99 0.51 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 59 T 8.27 4.58 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 1.19 0.00 0.00 60 G 10.18 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 C 7.54 4.58 0.00 3.24 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 *67 N 8.31 4.90 0.00 2.73 2.96 0.00 0.00 7.69 7.71 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 68 P 0.00 3.91 0.00 1.40 0.49 0.00 3.48 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 1.77 1.71 0.00 69 K 8.12 4.13 0.00 1.91 1.81 0.00 1.66 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.62 1.47 7.81 70 K 8.05 4.07 0.00 1.71 1.80 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.45 7.81 71 D 8.08 4.58 0.00 2.75 2.65 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 0.00 0.00 0.00 0.00 72 R 8.65 4.23 0.00 1.81 1.84 0.00 3.42 0.00 0.00 2.46 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 73 Y 7.38 5.01 0.00 3.15 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 74 S 10.13 4.98 0.00 3.89 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 75 Y 8.31 5.32 0.00 3.22 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 76 S 9.47 4.77 0.00 3.94 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 W 8.93 5.34 0.00 3.37 3.05 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 0.00 0.00 0.00 78 K 8.83 4.41 0.00 1.69 1.60 0.00 1.89 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.52 7.81 79 D 9.46 4.37 0.00 2.60 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 80 K 7.04 2.00 0.00 1.57 1.54 0.00 1.82 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.27 7.81 81 T 6.65 4.38 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 82 I 8.35 4.78 1.93 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 1.52 0.90 0.78 0.00 0.00 83 V 9.14 4.38 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 1.03 0.00 0.00 0.99 0.00 0.00 84 C 8.82 4.69 0.00 3.07 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *86 G 8.47 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 0.00 0.00 0.00 0.00 87 E 8.33 4.91 0.00 1.93 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 2.45 2.28 0.00 88 N 8.44 4.58 0.00 2.72 2.87 0.00 0.00 7.00 8.74 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 89 N 8.03 4.35 0.00 2.91 2.98 0.00 0.00 5.89 7.64 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 90 S 8.81 4.04 0.00 3.89 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 91 C 8.02 4.19 0.00 3.11 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.80 3.92 0.00 1.73 1.74 0.99 0.91 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 93 K 8.37 3.78 0.00 1.90 1.97 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.44 7.81 94 E 8.30 3.88 0.00 2.21 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 2.30 2.44 0.00 95 L 8.20 3.83 0.00 1.65 1.56 0.69 0.90 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 96 C 7.83 3.30 0.00 2.03 2.90 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 97 E 8.20 3.93 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 2.45 2.44 0.00 98 C 8.47 4.29 0.00 3.35 3.30 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 99 D 8.36 4.36 0.00 2.94 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 0.00 100 K 8.48 3.81 0.00 1.69 1.94 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.45 7.81 101 A 8.28 3.99 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 0.00 102 V 7.88 3.48 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.74 0.00 0.00 103 A 8.06 3.81 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 0.00 104 I 8.07 3.80 1.99 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 1.56 0.79 0.90 0.00 0.00 105 C 8.47 4.34 0.00 3.04 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 0.00 106 L 8.03 3.79 0.00 1.59 1.36 0.61 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.95 4.04 0.00 1.89 2.11 0.00 3.16 0.00 0.00 3.50 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 108 E 8.36 4.08 0.00 2.11 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 2.35 2.53 0.00 109 N 7.61 5.09 0.00 2.84 2.82 0.00 0.00 6.90 6.36 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 0.00 110 L 8.02 4.18 0.00 1.84 1.74 0.97 0.57 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 0.00 111 N 8.30 4.52 0.00 2.84 2.99 0.00 0.00 5.85 7.71 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 0.00 112 T 7.68 4.52 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 113 Y 7.85 4.01 0.00 3.14 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 N 9.16 5.07 0.00 2.69 2.52 0.00 0.00 6.84 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.92 3.99 0.00 1.89 1.90 0.00 1.79 0.00 0.00 1.94 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.70 1.68 7.81 116 K 8.02 3.94 0.00 1.67 1.74 0.00 1.28 0.00 0.00 1.44 0.00 0.00 2.51 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.94 0.39 7.81 117 Y 7.53 4.48 0.00 1.73 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 0.00 0.00 0.00 0.00 118 R 7.67 4.06 0.00 2.00 1.28 0.00 3.54 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.53 0.00 119 Y 8.22 3.99 0.00 3.19 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 7.31 4.06 0.00 3.27 3.03 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 0.00 0.00 0.00 121 L 7.71 4.16 0.00 1.40 1.45 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 122 K 9.04 3.96 0.00 1.82 1.92 0.00 1.76 0.00 0.00 1.91 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.62 1.49 7.81 123 P 0.00 4.43 0.00 2.01 2.11 0.00 3.57 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 2.01 2.11 0.00 124 L 7.91 4.32 0.00 1.49 1.73 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 125 C 8.50 4.67 0.00 3.05 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 *128 K 8.45 4.39 0.00 1.79 1.78 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.36 7.81 129 K 8.62 4.41 0.00 1.79 1.74 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.48 7.81 130 A 8.63 4.31 1.45 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 0.00 0.00 0.00 131 D 8.70 4.56 0.00 2.82 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 0.00 132 A 8.32 4.14 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 0.00 133 C 8.67 4.48 0.00 2.93 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 * Residues marked with a * may have inaccurate shift predictions.