NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 Q 4.2537 8.3449 119.1078 54.6605 29.2590 174.1675 16 E 4.3493 8.5710 124.0707 54.5278 30.8910 174.4252 17 H 4.7253 9.0770 122.4677 53.9038 31.1676 173.8638 18 K 4.5368 8.6095 126.1089 56.1577 33.3393 175.5761 19 V 5.1359 9.0361 127.7182 61.0409 34.8905 173.9821 20 I 5.0881 8.6800 120.5910 59.2894 40.7380 174.3197 21 I 5.0351 9.2007 125.9385 60.0449 39.2004 175.1926 22 V 4.8064 10.4349 120.2309 58.7490 35.9036 175.2749 23 G 4.4974 8.3577 110.8390 44.3103 0.0000 172.3043 24 L 4.2958 7.6869 120.0554 53.5953 42.3863 176.6453 25 D 4.2950 8.3513 119.7275 55.3124 39.3604 176.4669 26 N 4.3416 8.9395 117.9442 53.9314 37.6080 174.7722 27 A 4.0473 7.6151 120.9187 55.5329 18.7263 178.1120 28 G 3.8048 8.4854 104.2080 45.7412 0.0000 175.8878 29 K 3.8939 8.4847 122.0270 59.5598 32.0261 179.1077 30 T 3.8502 7.8314 115.3018 67.0438 68.4101 176.6701 31 T 3.8072 7.7405 116.9748 66.5220 68.4963 176.6012 32 I 3.2874 7.7371 121.8290 64.2157 36.8835 178.1997 33 L 3.6090 7.3498 119.5562 58.0322 42.2977 177.9197 34 Y 4.1994 7.9558 119.4425 61.1204 38.7660 178.4690 35 Q 4.0292 8.6218 118.9684 58.6813 28.7404 178.5434 36 F 4.5733 8.1077 119.2697 61.0663 38.7378 177.8285 37 S 4.2432 7.9350 112.9682 60.9437 62.6535 175.5325 38 M 4.3096 7.4330 119.0216 54.1716 32.8920 175.7965 39 N 4.5172 7.5735 119.3051 52.8661 39.9128 175.0210 40 E 3.9207 9.0216 126.0771 59.6598 29.6178 178.5245 41 V 3.7673 7.8075 109.5351 62.8182 31.9784 176.0743 42 V 4.3558 7.2476 120.5167 61.4748 32.4347 175.5541 43 H 4.3446 8.9365 125.7944 56.1999 29.1976 175.5959 44 T 3.9533 8.6131 119.8214 64.8280 69.0301 171.0821 45 S 4.4627 8.7710 117.1453 58.8473 61.9957 174.1749 *51 N 4.7644 9.3061 117.7494 52.0149 40.0800 174.2227 52 V 4.9997 7.8077 119.1873 61.4319 33.8848 174.1349 53 E 4.8111 9.2835 128.6577 54.3790 33.3213 173.6554 54 E 4.9379 8.9812 127.4382 55.5274 30.9855 175.0605 55 I 4.5857 9.0800 128.2872 59.5847 40.0724 174.5098 56 V 4.9100 8.5198 127.0539 61.1477 34.0153 174.3635 57 I 4.7248 8.5879 128.4976 60.2326 40.7309 176.8869 58 N 4.1351 8.9096 124.8155 54.7957 37.4022 175.1040 59 N 4.7718 9.3361 122.6225 54.0192 39.7693 174.1137 60 T 4.2828 8.0466 117.3807 61.9993 69.8028 173.5620 61 R 4.9123 8.2564 125.5870 54.7929 32.1326 175.0673 62 F 5.1782 9.2972 123.7522 55.6434 41.7744 174.6183 63 L 5.0316 8.9628 126.0983 54.1309 43.5752 174.7292 64 M 5.2109 9.3153 127.6059 53.6671 34.4395 175.1838 65 W 5.3725 9.2684 124.4816 55.0370 31.6041 174.6693 66 D 5.1330 9.2824 126.7001 53.3537 40.9687 176.0803 67 I 3.8979 8.4088 126.9969 61.2850 38.4809 175.6922 *73 L 4.3870 8.4481 125.5874 54.9432 43.1819 178.6253 74 R 4.1554 7.7832 113.7103 56.8966 30.6117 176.6204 75 S 4.2349 7.7130 113.4608 57.6810 62.9862 174.2489 76 S 4.0017 8.1944 123.3269 60.2178 62.7831 174.4353 77 W 5.0032 7.4277 118.1221 54.4499 32.0593 174.6843 78 N 4.5861 8.9334 120.5610 53.5540 37.8820 174.8089 79 T 4.5312 8.4396 115.5668 61.9617 69.9545 176.2386 *80 Y 3.9297 7.9545 120.3009 60.7864 38.0306 176.3820 81 Y 4.6828 7.5594 115.9444 58.9078 38.9208 175.3856 82 T 4.0340 7.3446 117.0006 64.7966 68.4672 173.3750 83 N 4.1671 8.7970 123.1085 54.2878 36.3443 174.1523 84 T 4.0828 7.5918 114.5571 63.3915 69.3101 174.3672 85 E 4.1522 9.0967 127.7364 57.6430 31.4658 175.9297 86 F 5.4658 7.9872 116.5005 55.6324 43.8347 173.8819 87 V 4.8254 8.9148 122.8757 61.3752 33.7562 174.3451 88 I 4.7253 9.1918 129.9716 60.2406 38.7261 174.8872 89 V 4.6515 8.8706 128.8845 61.4297 33.0345 174.5331 90 V 4.7352 8.8709 129.2569 61.4579 32.8161 174.9485 91 V 4.3812 8.7571 128.4259 60.8838 34.3040 173.8837 92 D 4.7591 8.6973 127.8196 54.0039 41.4178 176.9699 93 S 4.2196 9.1403 124.4145 61.4059 63.0585 176.7175 94 T 4.0131 7.9634 109.2614 63.1640 69.3543 175.1000 95 D 4.6059 7.7009 124.1115 52.9981 39.5709 176.5264 96 R 3.9792 7.9281 122.0624 58.4230 30.8202 178.2424 97 E 4.0549 8.2076 116.5343 58.6040 29.7533 177.6886 98 R 4.5370 8.0863 115.3266 55.5896 31.3161 177.3401 99 I 3.6400 7.3805 119.0237 64.2321 37.7306 177.9137 100 S 4.5748 8.0217 114.5461 61.3554 62.8241 176.6086 101 V 3.6455 7.8009 122.1351 66.0589 31.2016 177.9718 102 T 3.8815 7.9725 115.0865 66.7463 68.3508 176.2025 103 R 3.9606 8.2938 120.4382 59.4148 30.0864 178.1305 104 E 4.0191 8.3179 119.0289 59.5468 29.7230 178.7073 105 E 4.0161 8.4334 118.6654 59.0478 29.3567 179.0466 106 L 3.7797 8.1911 120.8039 58.5837 42.1919 178.8582 107 Y 4.0399 7.9316 116.4028 60.5976 37.5092 178.4649 108 K 4.0417 8.1479 119.1862 59.5469 32.4693 178.5582 109 M 4.0840 8.1238 118.3528 58.8555 31.9883 178.3786 110 L 3.8903 7.8899 117.2027 57.2967 41.7898 178.8846 111 A 4.2907 7.7146 119.0032 53.0543 18.6911 177.1839 112 H 4.3417 7.9635 116.6916 55.2734 29.3963 176.4209 113 E 4.0305 8.9941 124.5961 59.4722 29.6177 178.9363 114 D 4.4269 8.3123 117.5509 56.9411 41.1698 177.1446 115 L 4.5455 7.9336 117.4640 54.1775 41.8723 178.1670 116 R 3.8882 7.7170 118.1399 59.0174 29.0295 177.6227 117 K 4.2517 7.8158 113.9579 55.8411 32.6626 176.1973 118 A 4.2666 7.7613 122.0391 51.6201 19.1727 177.8790 119 G 4.1570 8.4012 108.6302 45.6258 0.0000 172.4288 120 L 5.3132 9.4011 125.0077 53.0066 44.6827 174.6801 121 L 4.7872 9.0274 129.1485 53.2725 44.6099 174.7895 122 I 4.7906 8.6477 127.8024 59.6744 39.5389 174.5983 123 F 5.1944 9.1061 126.9815 56.3184 40.6956 175.3217 124 A 4.6029 9.3089 127.8756 50.9619 18.6028 176.0161 125 N 4.9032 9.3015 120.8343 53.5108 41.5378 174.6808 126 K 4.4698 8.4927 117.0932 57.4274 29.2129 178.1813 127 Q 4.2036 7.8692 118.7743 58.0669 28.7831 177.7018 128 D 4.4284 7.9860 117.6345 55.3235 39.6834 176.2850 129 V 3.9193 7.6446 121.2068 61.5686 32.1423 175.4161 130 K 3.9745 8.4932 126.6750 58.0131 32.3955 176.4368 131 E 3.8146 8.9456 120.5071 57.2050 26.8189 174.3483 132 C 4.4664 7.4280 112.6160 57.9906 30.6098 173.3530 133 M 4.4639 8.5129 120.5592 55.8806 32.2142 176.8844 134 T 4.1615 8.8886 113.3002 61.2332 70.3249 175.8400 135 V 3.5925 8.6025 121.5421 66.2078 31.3973 178.0413 136 A 4.0258 7.9983 119.9283 55.3076 18.2321 179.2335 137 E 3.9491 8.2697 117.0511 59.6169 29.4050 179.8064 138 I 3.7722 7.8978 119.8557 64.3382 37.2155 178.3143 139 S 4.0143 8.3970 114.3828 61.3515 62.3236 176.0459 140 Q 3.9113 8.3895 122.3720 59.2067 28.6634 177.8027 141 F 4.0106 8.1831 120.3483 61.3142 39.5665 176.4765 142 L 4.2269 8.2339 115.6110 54.3217 42.2135 176.7528 143 K 3.8229 7.9411 117.8678 57.2669 30.3887 177.9429 144 L 3.3359 7.7385 120.7736 57.8278 41.5554 179.6948 145 T 4.5251 7.7342 105.7030 63.2476 68.8674 174.9143 146 S 4.4415 7.6420 117.7293 59.3015 63.3823 174.3997 147 I 3.9598 7.6239 122.9161 61.3393 36.9592 175.9303 148 K 4.5237 8.7603 124.1408 56.8533 33.3986 176.7837 149 D 5.0094 8.1711 116.1956 53.7851 42.1459 174.8109 150 H 5.0172 8.0924 114.7626 53.8601 32.8765 173.1583 151 Q 4.5713 8.7994 122.4153 56.0455 29.5937 175.2808 152 W 5.7588 8.5064 119.4842 55.5738 31.8444 173.5779 153 H 4.1233 8.5224 119.9627 54.4869 32.8275 171.6539 154 I 4.7719 8.0017 125.2413 59.3049 40.2257 174.2839 155 Q 4.5391 9.0287 129.3653 53.9676 32.2502 174.0465 156 A 4.7981 8.7458 128.6378 52.5423 20.0010 175.7076 157 C 4.9261 9.0294 115.1630 57.3322 34.1031 172.5704 158 C 4.8765 8.7657 119.4825 57.5287 32.4490 174.6578 159 A 4.0332 8.8107 130.0198 54.5616 18.2687 179.2805 160 L 4.1955 7.9150 115.1634 56.9437 41.8267 177.7283 161 T 4.3995 7.2381 103.0311 60.3439 70.5108 175.3043 162 G 3.8817 8.3579 110.6810 45.1128 0.0000 172.9744 163 E 4.1332 7.6787 122.2709 57.6074 30.0182 177.1197 164 G 4.3413 8.9596 113.7803 47.0937 0.0000 175.4133 165 L 4.1435 7.8784 119.5738 57.7220 41.4385 178.8389 166 C 4.1041 8.1431 118.3107 62.7542 31.6563 175.5406 167 Q 4.1750 8.2748 119.2188 58.8433 28.4151 179.0062 168 G 3.6532 8.0782 106.9230 47.8505 0.0000 175.8717 169 L 3.7783 8.1888 121.7991 57.4104 41.5771 179.4862 170 E 3.8963 8.5814 119.0139 58.9510 29.1237 179.1629 171 W 3.9561 7.8559 127.4443 60.6745 31.0814 177.5994 172 M 3.4046 7.8380 118.0600 58.3611 31.1835 178.4662 173 M 4.0871 7.9474 119.1301 58.5703 31.9846 178.9462 174 S 4.1636 7.8432 112.3153 60.3105 63.2096 175.5347 175 R 4.2343 7.0260 119.9664 55.6718 30.1999 176.1310 176 L 4.2551 7.5627 124.5798 55.1444 41.5816 176.8467 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 15 Q 8.34 4.25 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 16 E 8.57 4.35 0.00 1.90 1.91 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 2.26 2.37 0.00 17 H 9.08 4.73 0.00 2.85 3.42 0.00 5.61 0.00 0.00 0.00 0.00 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.61 4.54 0.00 1.67 1.72 0.00 1.15 0.00 0.00 1.53 0.00 0.00 2.16 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.15 0.76 7.81 19 V 9.04 5.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.24 0.00 0.00 20 I 8.68 5.09 2.05 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.92 0.97 0.00 0.00 21 I 9.20 5.04 2.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.19 1.00 0.00 0.00 22 V 10.43 4.81 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 0.83 0.00 0.00 1.04 0.00 0.00 23 G 8.36 4.50 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 0.00 0.00 0.00 24 L 7.69 4.30 0.00 1.73 1.61 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.35 4.29 0.00 2.78 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 26 N 8.94 4.34 0.00 2.86 2.99 0.00 0.00 7.02 7.96 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 27 A 7.62 4.05 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.49 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 0.00 0.00 0.00 29 K 8.48 3.89 0.00 1.82 1.99 0.00 1.96 0.00 0.00 1.86 0.00 0.00 3.25 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.56 7.81 30 T 7.83 3.85 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 1.18 0.00 0.00 31 T 7.74 3.81 4.15 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 1.14 0.00 0.00 32 I 7.74 3.29 1.65 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.49 0.02 0.00 0.00 33 L 7.35 3.61 0.00 1.61 1.70 1.14 1.12 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 34 Y 7.96 4.20 0.00 3.15 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 35 Q 8.62 4.03 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.52 0.00 0.00 0.00 0.00 0.00 2.70 2.76 0.00 36 F 8.11 4.57 0.00 3.22 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 37 S 7.94 4.24 0.00 3.85 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 38 M 7.43 4.31 0.00 1.95 2.25 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 39 N 7.57 4.52 0.00 2.96 2.71 0.00 0.00 6.71 8.09 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 40 E 9.02 3.92 0.00 1.96 1.99 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 2.30 2.31 0.00 41 V 7.81 3.77 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 0.71 0.00 0.00 0.96 0.00 0.00 42 V 7.25 4.36 2.28 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 0.86 0.00 0.00 0.93 0.00 0.00 43 H 8.94 4.34 0.00 3.09 3.22 0.00 5.72 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.61 3.95 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 1.21 0.00 0.00 45 S 8.77 4.46 0.00 3.79 3.25 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 *51 N 9.31 4.76 0.00 3.08 3.10 0.00 0.00 5.33 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.81 5.00 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 0.91 0.00 0.00 0.59 0.00 0.00 53 E 9.28 4.81 0.00 2.25 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 2.19 2.10 0.00 54 E 8.98 4.94 0.00 2.10 1.91 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 2.33 2.62 0.00 55 I 9.08 4.59 1.99 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.03 0.87 0.00 0.00 56 V 8.52 4.91 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 1.15 0.00 0.00 0.97 0.00 0.00 57 I 8.59 4.72 2.04 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.66 0.92 0.00 0.00 58 N 8.91 4.14 0.00 2.85 2.21 0.00 0.00 7.08 8.00 0.00 0.00 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 N 9.34 4.77 0.00 2.68 2.81 0.00 0.00 6.73 7.54 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 60 T 8.05 4.28 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 0.60 0.00 0.00 61 R 8.26 4.91 0.00 1.69 1.84 0.00 3.09 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 62 F 9.30 5.18 0.00 3.15 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 63 L 8.96 5.03 0.00 1.86 1.62 1.10 0.91 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 64 M 9.32 5.21 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.68 0.00 65 W 9.27 5.37 0.00 3.29 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 66 D 9.28 5.13 0.00 2.72 2.66 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 67 I 8.41 3.90 2.01 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 1.29 1.02 1.02 0.00 0.00 *73 L 8.45 4.39 0.00 1.69 1.73 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.78 4.16 0.00 1.76 1.93 0.00 3.18 0.00 0.00 3.13 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 75 S 7.71 4.23 0.00 3.83 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 76 S 8.19 4.00 0.00 2.72 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 77 W 7.43 5.00 0.00 3.44 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 78 N 8.93 4.59 0.00 2.65 2.76 0.00 0.00 6.96 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 79 T 8.44 4.53 4.53 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 1.49 0.00 0.00 *80 Y 7.95 3.93 0.00 2.46 2.49 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 81 Y 7.56 4.68 0.00 2.99 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.34 4.03 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 1.14 0.00 0.00 83 N 8.80 4.17 0.00 2.76 2.81 0.00 0.00 7.21 7.54 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 84 T 7.59 4.08 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 1.24 0.00 0.00 85 E 9.10 4.15 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.86 0.00 86 F 7.99 5.47 0.00 3.05 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 87 V 8.91 4.83 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 1.09 0.00 0.00 0.90 0.00 0.00 88 I 9.19 4.73 2.06 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.56 1.20 0.00 0.00 89 V 8.87 4.65 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 1.00 0.00 0.00 0.90 0.00 0.00 90 V 8.87 4.74 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 0.82 0.00 0.00 1.05 0.00 0.00 91 V 8.76 4.38 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 0.97 0.00 0.00 0.94 0.00 0.00 92 D 8.70 4.76 0.00 2.76 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 93 S 9.14 4.22 0.00 3.98 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 94 T 7.96 4.01 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 95 D 7.70 4.61 0.00 2.85 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 96 R 7.93 3.98 0.00 1.78 1.88 0.00 3.22 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 97 E 8.21 4.05 0.00 2.07 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 2.29 2.30 0.00 98 R 8.09 4.54 0.00 1.95 1.90 0.00 3.14 0.00 0.00 3.09 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 99 I 7.38 3.64 1.76 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.99 0.21 0.00 0.00 100 S 8.02 4.57 0.00 4.26 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.80 3.65 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 1.05 0.00 0.00 0.96 0.00 0.00 102 T 7.97 3.88 4.46 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 0.00 0.00 0.00 1.23 0.00 0.00 103 R 8.29 3.96 0.00 2.15 2.28 0.00 2.87 0.00 0.00 2.79 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.87 0.00 104 E 8.32 4.02 0.00 2.16 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 2.41 0.00 105 E 8.43 4.02 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 2.59 2.50 0.00 106 L 8.19 3.78 0.00 1.65 1.66 0.63 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 7.93 4.04 0.00 3.09 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 0.00 108 K 8.15 4.04 0.00 1.80 1.98 0.00 1.77 0.00 0.00 1.85 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.52 7.81 109 M 8.12 4.08 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.22 0.00 110 L 7.89 3.89 0.00 1.59 1.68 0.52 0.71 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 0.00 111 A 7.71 4.29 1.42 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 0.00 112 H 7.96 4.34 0.00 3.30 3.32 0.00 5.83 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 0.00 113 E 8.99 4.03 0.00 2.02 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 2.42 2.30 0.00 114 D 8.31 4.43 0.00 2.81 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 0.00 115 L 7.93 4.55 0.00 1.68 1.54 0.10 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 116 R 7.72 3.89 0.00 1.91 2.16 0.00 3.05 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.60 0.00 117 K 7.82 4.25 0.00 1.69 1.80 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.38 7.81 118 A 7.76 4.27 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 0.00 119 G 8.40 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 0.00 0.00 0.00 0.00 120 L 9.40 5.31 0.00 1.80 1.82 0.86 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 121 L 9.03 4.79 0.00 1.80 1.46 0.43 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 122 I 8.65 4.79 1.80 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.41 0.88 0.00 0.00 123 F 9.11 5.19 0.00 3.02 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 0.00 124 A 9.31 4.60 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 0.00 125 N 9.30 4.90 0.00 2.86 2.78 0.00 0.00 7.11 6.66 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 0.00 126 K 8.49 4.47 0.00 2.02 1.88 0.00 2.17 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.39 7.81 127 Q 7.87 4.20 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.02 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 128 D 7.99 4.43 0.00 2.81 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 0.00 129 V 7.64 3.92 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 0.94 0.00 0.00 0.94 0.00 0.00 130 K 8.49 3.97 0.00 1.78 1.73 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.46 7.81 131 E 8.95 3.81 0.00 2.12 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 0.00 2.19 2.27 0.00 132 C 7.43 4.47 0.00 3.04 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 0.00 133 M 8.51 4.46 0.00 1.89 2.09 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 2.65 2.43 0.00 134 T 8.89 4.16 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 0.00 135 V 8.60 3.59 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 1.15 0.00 0.00 0.95 0.00 0.00 136 A 8.00 4.03 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 0.00 137 E 8.27 3.95 0.00 2.22 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 2.37 0.00 138 I 7.90 3.77 2.03 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 1.40 0.82 0.93 0.00 0.00 139 S 8.40 4.01 0.00 3.94 4.05 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 0.00 140 Q 8.39 3.91 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 141 F 8.18 4.01 0.00 3.14 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 0.00 142 L 8.23 4.23 0.00 1.65 1.64 0.89 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 143 K 7.94 3.82 0.00 1.92 1.76 0.00 1.38 0.00 0.00 1.43 0.00 0.00 2.70 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.23 1.38 7.81 144 L 7.74 3.34 0.00 0.98 0.13 0.55 0.18 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 0.00 145 T 7.73 4.53 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 146 S 7.64 4.44 0.00 4.05 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 0.00 147 I 7.62 3.96 1.87 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.41 1.04 0.00 0.00 148 K 8.76 4.52 0.00 1.77 1.89 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.70 7.81 149 D 8.17 5.01 0.00 2.87 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 0.00 150 H 8.09 5.02 0.00 3.20 3.26 0.00 5.70 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.80 4.57 0.00 2.19 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 2.53 2.33 0.00 152 W 8.51 5.76 0.00 3.32 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 0.00 153 H 8.52 4.12 0.00 1.40 1.31 0.00 5.74 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 0.00 154 I 8.00 4.77 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.17 1.03 0.00 0.00 155 Q 9.03 4.54 0.00 2.02 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.66 2.59 0.00 156 A 8.75 4.80 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 C 9.03 4.93 0.00 3.00 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 0.00 158 C 8.77 4.88 0.00 2.98 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 0.00 159 A 8.81 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 L 7.91 4.20 0.00 1.63 1.73 0.89 0.74 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 0.00 161 T 7.24 4.40 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 0.00 162 G 8.36 3.88 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 0.00 0.00 0.00 163 E 7.68 4.13 0.00 1.96 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 2.32 2.28 0.00 164 G 8.96 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 0.00 0.00 0.00 0.00 165 L 7.88 4.14 0.00 1.90 2.00 0.75 -0.18 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 0.00 166 C 8.14 4.10 0.00 3.15 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 0.00 167 Q 8.27 4.18 0.00 2.49 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 168 G 8.08 3.65 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 0.00 0.00 0.00 169 L 8.19 3.78 0.00 1.73 1.46 0.64 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 170 E 8.58 3.90 0.00 1.99 1.98 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 2.30 2.50 0.00 171 W 7.86 3.96 0.00 3.08 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 0.00 172 M 7.84 3.40 0.00 0.98 1.65 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 1.64 0.00 173 M 7.95 4.09 0.00 1.99 2.22 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 2.62 2.83 0.00 174 S 7.84 4.16 0.00 3.87 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 0.00 175 R 7.03 4.23 0.00 1.42 1.99 0.00 2.58 0.00 0.00 2.25 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 1.38 0.00 176 L 7.56 4.26 0.00 1.66 1.55 0.84 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.