NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 32 E 4.3473 8.5445 116.7537 55.4983 32.5728 178.7110 33 L 4.6802 7.3942 119.4713 53.3035 42.0571 179.9191 34 S 4.4242 8.4091 124.0627 64.5266 63.2755 177.8978 35 Q 4.3045 8.1956 125.5673 61.0447 27.9150 181.9961 36 E 4.2533 8.1326 120.0151 60.9412 29.7227 181.1820 37 R 4.1804 7.6664 117.7310 59.5167 30.0589 179.3478 38 T 3.8743 8.0316 115.3787 66.5142 68.3547 176.6076 39 A 3.9879 8.4214 123.1808 55.1096 18.2969 179.7101 40 R 3.8511 8.1047 117.1862 59.3931 30.1339 178.3247 41 L 3.9307 8.1913 120.3337 58.4474 42.0697 178.7257 42 N 4.3088 8.4301 116.5075 56.1877 38.4739 176.8866 43 E 3.9205 8.4896 121.0075 59.2060 29.7485 178.5537 44 L 3.9402 8.1837 120.4620 58.4279 42.1823 178.7353 45 Q 4.0152 8.2921 118.1253 59.3103 28.4383 179.5041 46 R 3.9346 8.0146 117.5277 59.0871 30.1624 178.6365 47 A 4.2330 7.8762 119.5788 55.3269 18.5062 179.4426 48 L 4.2082 7.8734 116.2930 57.1602 43.3076 179.4110 49 V 3.9169 7.5740 119.1906 63.2409 27.2325 175.5429 *52 D 4.8243 7.7965 123.0090 54.1789 43.3026 178.4245 53 S 4.1890 8.1434 112.2261 61.4801 63.3469 175.5349 54 D 4.5838 8.2471 120.3078 56.9958 41.0289 178.7307 55 F 3.8144 7.7977 115.5777 60.0050 38.8778 176.6122 56 R 4.3480 7.9750 117.6212 57.3999 30.2178 176.5293 57 Q 4.7701 7.8533 117.8750 55.3380 30.4451 175.3619 58 I 4.2854 8.1364 119.4437 61.7247 37.7316 175.3402 59 A 4.6370 8.6775 128.3625 50.0119 21.0465 177.5996 60 L 4.2520 8.4485 124.2727 53.5947 40.4659 174.7335 61 R 4.5560 7.5938 119.9669 54.5441 33.3898 174.3382 62 Q 4.7246 8.5691 124.4730 55.7791 30.0546 175.1806 63 T 4.7259 8.8669 111.8306 60.0427 72.3823 173.1315 64 R 4.7286 8.4400 121.4507 55.4644 32.1414 176.6836 65 T 4.1422 8.1610 115.0768 60.6588 69.2734 174.3744 *72 K 4.3794 8.3502 130.1910 55.3439 33.0295 172.9422 73 K 4.6599 8.6347 124.8626 53.5805 36.0573 178.1961 74 L 4.0168 8.7027 122.1826 57.4075 41.9164 177.9725 75 L 4.9153 7.6512 116.9015 53.4695 45.5045 175.5653 76 H 5.0097 9.1749 120.9012 53.9891 31.3256 173.9031 77 W 5.6184 8.9245 133.1303 56.7867 32.2703 173.2603 78 A 4.3549 8.4136 128.6530 50.1519 21.8018 175.3258 79 D 4.1527 8.0910 119.5711 55.7339 41.4431 176.7132 80 Y 4.7441 8.8711 118.4676 57.7906 36.5190 169.8613 81 L 4.2173 7.3455 121.1734 56.3852 42.5567 177.0012 82 L 3.9294 9.2638 123.0683 55.5033 39.1907 173.8063 83 D 4.5156 8.2592 114.6227 54.9642 40.3815 173.7758 84 S 4.4748 7.9872 111.0810 58.0366 62.8913 174.9849 85 D 4.7054 8.9662 126.4106 56.6748 42.2464 176.4758 86 N 5.2302 7.6287 113.6305 52.8651 39.1861 177.9292 87 K 4.2674 9.1188 113.9879 55.8830 32.6519 174.9399 88 G 4.4839 8.5958 109.6539 44.6623 0.0000 171.2157 89 I 6.1934 8.9552 120.8001 57.9293 42.4659 173.7091 *91 F 5.0091 8.3787 117.1615 56.4600 39.5755 173.9542 92 A 4.8234 8.4935 120.8759 51.6422 20.0394 176.6483 93 R 5.1068 8.6965 116.3080 54.0131 33.7098 174.4722 94 L 4.1243 8.7444 121.4634 55.6087 41.4183 177.3078 95 G 3.6499 8.8092 113.0876 47.7093 0.0000 173.1652 96 W 4.8218 6.7602 115.6524 55.6319 31.1210 172.7160 97 H 5.0619 9.1143 117.9216 55.4718 29.0738 175.4492 98 N 5.0597 9.4987 121.3927 51.7720 39.8733 173.3351 99 P 4.5125 0.0000 0.0000 62.5573 32.2382 177.2316 100 Q 4.0463 8.9110 118.2460 59.5883 28.5647 179.4021 101 Q 4.1397 8.0510 114.3117 57.9531 29.1207 176.1367 102 Q 4.5282 7.8947 118.6477 54.6164 30.2267 174.3135 103 F 4.7559 8.5078 125.3935 55.3962 41.8690 173.2155 104 P 3.3275 0.0000 0.0000 62.0690 32.0290 176.4632 105 R 4.1826 8.1554 117.1469 58.0794 31.0799 176.7061 106 G 4.3320 7.6948 104.7356 44.2435 0.0000 171.7926 107 E 4.3947 8.7768 123.1751 54.7202 31.2199 175.2071 108 V 4.4813 8.1177 124.8530 61.7105 33.2479 175.0193 109 T 4.6182 8.4671 118.8108 58.9652 72.3353 172.5673 110 K 4.9424 8.0986 120.9990 55.0875 35.5295 175.9629 111 V 5.0952 8.4269 119.1769 59.8137 35.8138 174.9658 112 G 4.4537 9.2412 108.8686 45.0847 0.0000 171.0329 113 Y 5.5219 9.1706 118.4268 56.1553 41.7143 175.0791 114 R 5.0837 9.2339 118.2423 55.3139 33.9805 173.4525 115 I 4.9975 8.6124 120.6512 59.6726 39.4336 175.3545 116 K 4.7068 8.9288 126.6805 55.4179 34.7553 176.1465 117 D 4.5758 9.4605 126.2346 56.5048 38.4308 173.5646 118 E 4.2754 7.8351 110.5259 56.1006 28.0961 174.6110 119 R 5.0924 7.4699 116.0043 54.1822 33.6609 174.8743 120 L 4.8294 9.0416 126.0944 54.9274 43.4282 175.3571 121 E 5.1621 9.7295 125.3991 54.5067 33.6951 174.5914 122 R 4.3646 8.8718 123.4860 54.3453 32.7848 174.5033 123 V 4.4979 8.6084 126.4118 60.6889 34.1926 173.9241 124 W 5.0729 8.4908 135.0000 55.2342 33.8020 173.9182 125 W 4.5443 8.4722 126.2576 54.4720 31.8628 176.8837 126 R 2.8381 8.0133 123.5515 58.0199 29.8857 175.7908 127 Y 4.7008 7.1693 114.3824 55.1508 40.5649 173.6113 128 P 4.1205 0.0000 0.0000 65.0093 31.6292 176.1471 129 D 4.6619 7.8621 118.1657 52.8336 41.2373 175.6646 130 T 4.5860 7.9150 118.3589 59.5002 69.5828 171.2650 131 P 4.2087 0.0000 0.0000 65.5896 32.3978 179.1696 *134 Q 4.5415 7.4992 120.7665 54.5894 30.4600 178.6294 135 E 4.4344 8.6319 112.6132 56.1721 31.2405 179.0745 136 G 3.0174 7.9081 107.4411 44.5150 0.0000 173.1948 137 V 3.8298 8.4831 120.4568 62.5862 32.2877 174.9037 138 V 4.4278 8.2329 128.5516 61.7816 32.9327 174.8089 139 T 4.5915 8.9257 125.4844 60.9380 70.6887 171.8914 140 P 4.5940 0.0000 0.0000 63.0219 31.4238 175.3014 141 L 4.5226 8.8915 127.1823 56.1655 43.7096 176.6467 142 L 4.8968 7.5663 120.7095 53.7713 45.3007 175.2357 143 S 4.6270 9.2680 121.7135 57.7755 64.6628 173.1677 144 D 4.3135 8.3755 116.7346 55.7246 37.8059 174.0872 145 V 4.6067 8.2915 119.5283 61.5935 32.9793 176.6439 146 E 4.2230 9.7475 129.3148 58.9351 30.3997 177.1865 147 E 4.7139 8.0180 119.1599 54.7846 33.4276 173.4749 148 L 5.0961 8.7349 128.8961 53.5272 43.7531 174.7568 149 N 5.4336 9.5278 124.9924 51.8253 42.6053 172.9655 150 V 4.3959 7.7781 123.6699 60.9109 34.3808 174.4861 151 R 4.5010 8.3179 125.1420 54.2065 34.7320 174.3575 152 F 5.2137 9.2672 118.5537 56.1310 43.3376 173.4687 153 Y 4.1781 8.7354 126.3593 55.8481 39.4204 174.8833 154 D 4.7878 8.2510 126.9767 53.2838 39.6957 177.6991 155 G 3.8060 7.1012 109.7552 45.2566 0.0000 174.7918 156 K 4.2681 7.2199 116.0473 57.5867 34.8110 175.4417 157 Q 4.6191 7.8986 115.7160 54.4965 32.6665 173.5182 158 W 5.2283 8.8929 119.8909 56.2033 30.0238 176.1110 159 I 4.8465 9.4849 117.8423 59.5232 40.5415 175.6305 160 N 5.0970 9.1650 117.3761 53.3853 39.6062 174.6563 161 E 5.1501 8.2498 116.2003 54.3971 33.6448 175.0135 162 W 4.3967 8.2479 129.2780 55.8542 31.6403 174.7450 163 S 4.3439 7.6717 119.3416 57.7789 63.4772 173.9329 164 N 4.1291 6.6350 120.3278 53.7586 38.3213 174.1427 165 E 4.3357 8.6274 125.1064 57.1921 30.4458 177.1680 166 L 4.5398 7.9674 118.1031 55.0719 43.3540 175.9984 167 T 4.9244 8.0566 111.3238 59.9628 70.4179 173.1685 168 L 4.3913 8.2917 126.3784 52.9722 42.9260 175.0522 169 P 3.7150 0.0000 0.0000 61.9588 32.1030 176.1653 170 A 4.2025 7.9931 121.2218 55.0110 19.3484 177.3749 171 A 5.1327 7.6738 114.4308 50.4499 23.3365 175.2257 172 I 5.0256 9.0993 120.4789 59.4896 41.1671 174.5373 173 S 4.7920 8.8794 121.2023 56.3599 64.7677 172.5861 174 V 4.3091 8.4156 128.0955 61.1927 33.3403 174.0429 175 E 4.8905 9.3707 128.5292 54.5650 32.1261 174.9050 176 L 5.1227 8.8804 125.3675 53.2808 44.5669 175.7518 177 T 4.9213 8.8475 120.7656 62.0246 70.4144 173.6348 178 L 4.9363 8.8541 127.7296 53.6132 43.0672 178.5711 179 K 4.1112 8.9327 122.2674 59.0793 32.0938 178.1123 180 D 4.4597 8.2030 118.1937 55.0179 40.3215 177.0100 181 Y 4.3511 7.9356 115.0051 57.1904 39.6355 177.6027 182 G 3.8471 8.0488 108.0796 45.1906 0.0000 172.1331 183 K 4.8577 8.5390 124.2677 55.8787 33.0549 177.2859 184 I 4.7529 8.9843 120.6650 59.0662 40.9332 174.2227 185 A 5.0919 8.3411 124.3911 50.3515 22.4797 175.4620 186 R 4.2516 8.6370 118.9541 54.5283 34.0919 174.4361 187 T 4.7296 7.9593 120.0271 62.1132 70.3082 173.6541 188 Y 4.8320 8.9523 123.7771 56.1318 41.6360 174.9485 189 L 4.9880 8.6945 123.0650 54.3189 43.1887 176.2262 190 T 4.6915 8.0966 112.5471 59.1611 71.0708 172.7987 191 P 4.4163 0.0000 0.0000 62.6492 32.0764 176.1933 192 E 4.1806 8.3380 119.7854 56.5479 30.3473 175.9586 193 G 4.2381 8.3109 107.3074 44.2395 0.0000 172.9433 194 N 5.3635 8.3104 116.4798 51.2182 42.5320 174.0463 195 L 4.5521 8.9875 123.4726 54.4675 43.5818 177.7459 196 Q 4.2761 8.4433 120.0631 56.0134 27.8975 176.8954 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 32 E 8.54 4.35 0.00 2.01 1.93 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 2.13 1.88 0.00 33 L 7.39 4.68 0.00 1.62 1.62 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.41 4.42 0.00 3.73 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 35 Q 8.20 4.30 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.00 0.00 36 E 8.13 4.25 0.00 1.97 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 2.31 1.97 0.00 37 R 7.67 4.18 0.00 2.11 2.05 0.00 3.11 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 38 T 8.03 3.87 4.37 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 1.22 0.00 0.00 39 A 8.42 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 R 8.10 3.85 0.00 2.08 2.27 0.00 3.27 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.98 0.00 41 L 8.19 3.93 0.00 1.97 1.86 0.91 0.82 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 42 N 8.43 4.31 0.00 2.92 2.86 0.00 0.00 6.72 8.46 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 43 E 8.49 3.92 0.00 2.13 2.20 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 2.35 2.35 0.00 44 L 8.18 3.94 0.00 1.89 1.83 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.29 4.02 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 46 R 8.01 3.93 0.00 1.96 2.01 0.00 3.17 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 47 A 7.88 4.23 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 48 L 7.87 4.21 0.00 1.67 1.78 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.57 3.92 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 1.07 0.00 0.00 1.03 0.00 0.00 *52 D 7.80 4.82 0.00 3.14 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 53 S 8.14 4.19 0.00 4.06 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 0.00 54 D 8.25 4.58 0.00 2.79 2.82 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 55 F 7.80 3.81 0.00 1.51 1.72 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 56 R 7.97 4.35 0.00 2.01 2.05 0.00 3.21 0.00 0.00 3.33 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 57 Q 7.85 4.77 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.99 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 58 I 8.14 4.29 1.76 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 0.36 0.25 0.82 0.00 0.00 59 A 8.68 4.64 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 60 L 8.45 4.25 0.00 1.60 1.62 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 61 R 7.59 4.56 0.00 1.72 1.73 0.00 3.31 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.69 0.00 62 Q 8.57 4.72 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.56 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 63 T 8.87 4.73 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 1.20 0.00 0.00 64 R 8.44 4.73 0.00 1.61 1.81 0.00 3.12 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 65 T 8.16 4.14 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 1.13 0.00 0.00 *72 K 8.35 4.38 0.00 1.59 1.74 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.05 7.81 73 K 8.63 4.66 0.00 1.22 1.68 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.38 7.81 74 L 8.70 4.02 0.00 1.73 1.78 1.06 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.65 4.92 0.00 1.56 1.64 0.81 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 76 H 9.17 5.01 0.00 3.19 3.30 0.00 5.60 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 W 8.92 5.62 0.00 3.54 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 78 A 8.41 4.35 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.09 4.15 0.00 2.07 1.54 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 Y 8.87 4.74 0.00 3.17 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 81 L 7.35 4.22 0.00 1.91 1.60 0.96 0.80 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 82 L 9.26 3.93 0.00 1.96 1.88 1.15 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.26 4.52 0.00 2.85 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 84 S 7.99 4.47 0.00 4.11 3.95 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 85 D 8.97 4.71 0.00 2.83 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 86 N 7.63 5.23 0.00 2.72 1.98 0.00 0.00 6.32 7.20 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 87 K 9.12 4.27 0.00 1.59 0.74 0.00 0.61 0.00 0.00 1.16 0.00 0.00 2.65 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.18 1.14 7.81 88 G 8.60 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.96 6.19 2.48 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 1.51 2.29 1.49 0.00 0.00 *91 F 8.38 5.01 0.00 3.20 3.28 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 92 A 8.49 4.82 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 93 R 8.70 5.11 0.00 2.08 2.16 0.00 2.89 0.00 0.00 3.32 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.57 0.00 94 L 8.74 4.12 0.00 1.54 1.62 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.81 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 96 W 6.76 4.82 0.00 3.41 3.40 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 97 H 9.11 5.06 0.00 3.13 3.37 0.00 5.89 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 N 9.50 5.06 0.00 2.74 2.97 0.00 0.00 7.02 5.31 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 99 P 0.00 4.51 0.00 2.46 2.21 0.00 4.01 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.02 0.00 100 Q 8.91 4.05 0.00 2.09 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.15 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 101 Q 8.05 4.14 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 102 Q 7.89 4.53 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 103 F 8.51 4.76 0.00 3.05 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 0.00 104 P 0.00 3.33 0.00 1.89 1.45 0.00 3.73 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.79 0.00 105 R 8.16 4.18 0.00 1.75 2.06 0.00 3.55 0.00 0.00 3.44 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 106 G 7.69 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 0.00 0.00 0.00 0.00 107 E 8.78 4.39 0.00 1.16 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 2.55 2.50 0.00 108 V 8.12 4.48 1.97 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 0.80 0.00 0.00 0.82 0.00 0.00 109 T 8.47 4.62 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 0.94 0.00 0.00 110 K 8.10 4.94 0.00 1.63 1.52 0.00 1.16 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 1.35 7.81 111 V 8.43 5.10 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 0.77 0.00 0.00 0.23 0.00 0.00 112 G 9.24 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 0.00 113 Y 9.17 5.52 0.00 3.21 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 0.00 114 R 9.23 5.08 0.00 1.94 2.12 0.00 2.90 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 115 I 8.61 5.00 1.97 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.13 0.98 0.00 0.00 116 K 8.93 4.71 0.00 1.77 1.71 0.00 1.86 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.59 7.81 117 D 9.46 4.58 0.00 2.85 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 E 7.84 4.28 0.00 2.18 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 2.35 2.30 0.00 119 R 7.47 5.09 0.00 1.84 1.82 0.00 3.14 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 120 L 9.04 4.83 0.00 1.86 1.65 1.20 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.73 5.16 0.00 1.89 1.76 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 2.22 2.25 0.00 122 R 8.87 4.36 0.00 1.33 1.52 0.00 3.06 0.00 0.00 2.92 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.07 0.00 123 V 8.61 4.50 1.84 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 -0.18 0.00 0.00 0.85 0.00 0.00 124 W 8.49 5.07 0.00 3.19 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 0.00 125 W 8.47 4.54 0.00 2.93 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 0.00 126 R 8.01 2.84 0.00 1.58 1.39 0.00 2.97 0.00 0.00 3.62 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.50 0.00 127 Y 7.17 4.70 0.00 2.93 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 0.00 128 P 0.00 4.12 0.00 1.98 2.04 0.00 3.70 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.08 0.00 129 D 7.86 4.66 0.00 2.60 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 T 7.92 4.59 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 0.83 0.00 0.00 131 P 0.00 4.21 0.00 2.27 2.17 0.00 3.81 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.96 0.00 *134 Q 7.50 4.54 0.00 2.12 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.06 0.00 0.00 0.00 0.00 0.00 2.18 1.89 0.00 135 E 8.63 4.43 0.00 1.98 1.77 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 2.23 1.88 0.00 136 G 7.91 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 0.00 0.00 0.00 137 V 8.48 3.83 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.06 0.00 0.00 138 V 8.23 4.43 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 0.83 0.00 0.00 0.81 0.00 0.00 139 T 8.93 4.59 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 1.17 0.00 0.00 140 P 0.00 4.59 0.00 2.08 2.08 0.00 3.71 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 141 L 8.89 4.52 0.00 1.70 1.91 0.98 1.46 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 0.00 142 L 7.57 4.90 0.00 1.83 1.52 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 143 S 9.27 4.63 0.00 3.95 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 0.00 144 D 8.38 4.31 0.00 2.93 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 0.00 145 V 8.29 4.61 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 1.08 0.00 0.00 1.07 0.00 0.00 146 E 9.75 4.22 0.00 1.98 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 2.36 2.28 0.00 147 E 8.02 4.71 0.00 2.09 1.77 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 2.33 2.44 0.00 148 L 8.73 5.10 0.00 1.81 1.74 1.00 1.27 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 0.00 149 N 9.53 5.43 0.00 2.88 2.57 0.00 0.00 6.15 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 0.00 150 V 7.78 4.40 0.67 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 0.17 0.00 0.00 0.36 0.00 0.00 151 R 8.32 4.50 0.00 1.43 1.88 0.00 3.11 0.00 0.00 2.95 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.37 0.00 152 F 9.27 5.21 0.00 3.27 2.71 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 0.00 0.00 0.00 0.00 153 Y 8.74 4.18 0.00 1.43 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 0.00 0.00 0.00 154 D 8.25 4.79 0.00 2.95 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 0.00 155 G 7.10 3.81 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 0.00 0.00 0.00 156 K 7.22 4.27 0.00 1.74 1.78 0.00 1.53 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.14 1.37 7.81 157 Q 7.90 4.62 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.99 0.00 0.00 0.00 0.00 0.00 2.21 2.41 0.00 158 W 8.89 5.23 0.00 3.28 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 0.00 159 I 9.48 4.85 2.05 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 1.83 1.59 1.01 0.00 0.00 160 N 9.16 5.10 0.00 2.92 3.14 0.00 0.00 6.64 7.66 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 0.00 161 E 8.25 5.15 0.00 2.05 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 162 W 8.25 4.40 0.00 1.99 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 0.00 0.00 0.00 0.00 163 S 7.67 4.34 0.00 3.85 3.81 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 0.00 164 N 6.64 4.13 0.00 1.83 2.42 0.00 0.00 7.05 7.65 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 0.00 165 E 8.63 4.34 0.00 1.97 1.97 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 2.26 2.45 0.00 166 L 7.97 4.54 0.00 1.70 1.84 0.91 0.59 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 0.00 167 T 8.06 4.92 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 1.55 0.00 0.00 168 L 8.29 4.39 0.00 1.61 1.40 0.89 0.98 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 0.00 169 P 0.00 3.72 0.00 1.72 0.49 0.00 3.24 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.20 0.00 170 A 7.99 4.20 1.36 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 0.00 171 A 7.67 5.13 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 I 9.10 5.03 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.68 0.72 0.00 0.00 173 S 8.88 4.79 0.00 2.78 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 0.00 174 V 8.42 4.31 1.74 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 0.65 0.00 0.00 -0.05 0.00 0.00 175 E 9.37 4.89 0.00 1.79 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.13 0.00 176 L 8.88 5.12 0.00 1.54 1.57 0.95 0.43 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 0.00 177 T 8.85 4.92 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 1.28 0.00 0.00 178 L 8.85 4.94 0.00 1.74 1.81 1.07 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 179 K 8.93 4.11 0.00 1.64 1.87 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.21 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.41 7.81 180 D 8.20 4.46 0.00 2.37 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 Y 7.94 4.35 0.00 3.02 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 0.00 182 G 8.05 3.85 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 0.00 0.00 0.00 183 K 8.54 4.86 0.00 1.76 1.70 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.75 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.37 7.81 184 I 8.98 4.75 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.11 0.86 0.00 0.00 185 A 8.34 5.09 0.96 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 0.00 0.00 186 R 8.64 4.25 0.00 1.40 0.89 0.00 3.01 0.00 0.00 3.02 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.62 0.00 187 T 7.96 4.73 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 1.30 0.00 0.00 188 Y 8.95 4.83 0.00 2.76 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 0.00 189 L 8.69 4.99 0.00 1.55 1.59 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 190 T 8.10 4.69 4.18 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 1.13 0.00 0.00 191 P 0.00 4.42 0.00 2.20 2.10 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.12 0.00 192 E 8.34 4.18 0.00 1.99 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 2.31 2.25 0.00 193 G 8.31 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 0.00 0.00 0.00 0.00 194 N 8.31 5.36 0.00 2.56 2.81 0.00 0.00 6.94 7.85 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 0.00 195 L 8.99 4.55 0.00 1.48 1.59 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 196 Q 8.44 4.28 0.00 1.84 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.65 0.00 0.00 0.00 0.00 0.00 2.26 1.93 0.00 * Residues marked with a * may have inaccurate shift predictions.