NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4520 8.3349 116.8022 57.3479 64.3100 173.3354 4 P 4.3156 0.0000 0.0000 61.2551 31.9850 174.2250 5 Y 5.3449 8.5157 119.3883 55.5695 43.0977 173.3871 6 I 4.3483 8.7420 121.9576 60.2254 39.0723 174.6622 7 L 4.8396 8.8816 130.1178 54.5653 43.6043 175.4794 8 V 4.8499 9.3727 127.1979 61.4396 33.2138 173.5868 9 L 5.3598 9.3607 131.5902 53.3748 44.5143 174.7842 10 Y 5.3528 8.4016 123.0939 56.0835 42.1195 172.7571 11 Y 5.0024 8.6712 120.6464 55.8862 41.6106 174.8082 12 S 4.4101 7.3716 118.0856 55.7040 65.8117 173.1211 13 R 4.0494 8.4734 126.8148 57.9902 30.6794 176.5003 14 H 4.8242 7.9324 110.3638 55.1680 29.9026 174.2995 15 G 4.0469 8.2538 109.1842 45.8146 0.0000 176.6107 16 A 3.9151 8.0958 122.2200 55.4229 18.8644 178.9910 17 T 4.0866 7.9106 105.4289 64.4098 69.5629 176.5159 18 A 3.0728 7.9161 125.1563 54.8362 18.7300 179.6028 19 E 3.7822 7.9208 115.5675 56.3703 29.1667 178.5824 *21 A 3.8723 8.2079 121.2130 51.6565 20.6548 180.1071 22 R 3.8464 7.6958 114.7858 59.4511 29.9858 179.4227 23 Q 3.9100 8.0347 117.8134 58.8880 28.6166 178.5708 24 I 3.6874 7.4972 120.1234 64.4230 37.0917 178.0771 25 A 3.9747 8.1305 121.5975 55.2617 18.1829 179.7917 26 R 3.9768 8.1812 116.7046 59.3324 30.0426 179.6047 27 G 3.5891 7.9554 105.5490 46.7116 0.0000 175.7042 28 V 3.7219 8.0248 121.3576 65.9886 31.4650 177.7481 29 E 4.3001 8.2572 120.0565 58.9406 29.3432 178.7261 30 Q 4.1820 8.1711 118.3116 58.6204 28.5132 178.1160 31 G 4.0906 7.9691 104.1675 44.5803 0.0000 174.3896 32 G 4.0302 8.1839 108.5289 45.1087 0.0000 173.3289 33 F 4.8423 7.9550 117.3874 54.9382 42.7266 175.0193 34 E 4.3012 8.8036 119.5943 56.6883 30.6033 175.8027 35 A 5.4205 8.5828 122.9579 50.2108 22.6110 175.7211 36 R 4.4145 9.0700 120.2205 54.6284 32.9714 174.2136 37 V 4.8739 8.4668 126.9041 61.6701 32.9528 175.1588 38 R 4.8339 9.2869 126.0012 55.2153 35.1824 174.3045 39 T 5.1130 8.4568 117.0373 59.4568 70.7797 172.7088 40 V 4.7758 7.9858 112.5502 59.0215 35.4764 174.3610 41 P 4.1582 0.0000 0.0000 61.5211 31.9889 176.3936 42 A 4.1543 8.3501 122.8853 52.6479 18.8549 177.3692 43 V 4.3520 7.7412 112.3526 59.7293 34.8791 175.0046 44 S 4.4727 7.7596 114.7910 57.3851 65.4983 173.7196 45 T 4.1376 8.0974 111.9395 60.8271 69.6665 173.8681 46 E 4.2317 8.3213 119.2868 54.2895 29.9829 175.1868 *59 A 4.0266 8.2762 126.1636 51.8163 19.8749 175.2814 60 L 4.5000 7.9667 122.1611 53.0623 44.4028 175.4706 61 Y 5.0011 8.0758 120.1387 57.4883 38.6892 175.5125 62 A 4.4531 9.1494 126.4271 52.3469 19.2553 176.9419 63 T 4.8178 8.9537 110.1967 59.5072 71.6951 175.7045 64 L 4.1661 8.4870 121.5518 57.8537 41.4625 179.6820 65 E 4.0843 8.2509 118.4425 59.3614 29.2500 178.5553 66 D 4.6276 8.1927 119.5919 56.7333 41.2135 178.6427 67 L 4.2250 7.9458 120.4216 58.1519 41.9976 178.6981 68 K 3.9518 8.4277 118.6361 59.1611 32.1719 177.4236 69 N 4.8194 7.8951 113.5819 52.1571 39.0922 175.0231 70 C 3.1536 7.1676 115.3853 57.8038 30.3787 173.3495 71 A 4.3377 8.1679 122.0819 52.7764 19.6237 176.9263 72 G 3.9594 7.3456 101.0039 45.8392 0.0000 172.1582 73 L 5.4384 8.5039 120.9349 53.2885 46.0873 174.4170 74 A 5.3714 9.3790 127.9503 50.1114 21.8690 174.5618 75 L 5.1795 9.2356 125.4228 53.2459 44.6603 175.4461 76 G 3.3977 8.7121 113.1267 44.5781 0.0000 171.2635 77 S 5.3386 7.8702 115.7794 55.9657 65.9409 171.7884 78 P 5.0140 0.0000 0.0000 62.7731 32.1156 175.9086 79 T 4.0443 8.6464 112.8929 62.0206 69.7323 174.9487 80 R 4.1167 8.6214 124.0032 54.8698 31.1922 175.1712 81 F 4.0766 8.5899 125.0685 58.5106 36.2472 176.7853 82 G 4.3254 8.4816 106.0404 45.8014 0.0000 173.1471 83 N 5.2425 7.8349 117.6177 51.0879 38.9139 177.1754 *85 A 4.3770 8.6638 128.9360 52.4651 20.7425 177.4145 86 S 4.0684 8.4838 117.7775 61.4206 62.9779 175.3941 87 P 4.2720 0.0000 0.0000 65.0087 30.9402 178.3091 88 L 4.0570 7.5666 118.8933 57.8012 42.0997 178.5531 89 K 3.9361 8.1045 119.7269 59.6313 31.8802 178.0278 90 Y 4.0666 8.3150 119.2021 60.6709 39.0305 177.5726 91 F 4.0595 8.2237 121.1306 61.3963 39.5214 177.1702 92 L 3.9960 8.2526 118.5486 57.7296 41.1804 179.1096 93 D 4.4977 8.2842 118.4938 56.5039 40.7066 177.9248 94 G 3.6972 7.1812 104.7123 44.9683 0.0000 174.3781 95 T 4.4133 7.3831 111.2478 61.7895 69.0827 176.6618 96 S 4.1973 7.8918 120.5298 62.1959 62.9137 176.3054 97 S 4.1396 8.0287 115.4085 61.3828 62.1360 176.0213 98 L 4.0550 7.9610 121.2790 57.3563 41.3713 179.0984 99 W 3.9246 8.4067 128.3698 60.5907 30.5178 178.1689 100 L 4.2527 8.3760 117.3636 57.2924 41.1112 178.5622 101 T 4.4094 7.6077 112.8928 62.0447 69.1606 174.6536 102 G 3.7743 7.7590 109.5448 46.5448 0.0000 176.5190 103 S 4.1670 8.2949 117.9613 60.3034 63.2875 175.4595 104 L 4.4841 7.6475 118.1218 54.0368 42.3662 176.2554 105 V 3.9738 7.2541 119.8340 64.3236 31.5873 176.2812 106 G 3.9402 9.0963 115.7254 45.3201 0.0000 173.1291 107 K 4.5299 7.5152 119.0464 54.5380 33.3933 175.2087 108 P 4.8625 0.0000 0.0000 63.0914 32.9098 174.8952 109 A 5.3690 9.0930 122.0778 51.0022 23.1762 174.8533 110 A 5.1812 9.0571 120.6497 50.8941 23.8644 175.2564 111 V 5.3312 8.3974 111.0536 59.9568 36.4389 174.8772 112 F 5.6599 8.8245 115.8924 56.1811 41.3709 173.3877 113 T 5.7689 9.2641 109.8183 59.7901 72.6911 172.3290 114 S 5.0754 8.6306 115.7482 56.9822 66.6035 172.3057 115 T 4.9996 8.7744 117.3258 60.5244 70.7745 174.0205 116 A 4.4567 8.8023 128.7491 52.0317 19.6477 176.7820 117 S 4.9313 7.6632 110.6749 56.4996 64.8770 173.9409 118 L 4.1442 8.5656 126.5049 56.4513 41.9364 177.7141 *119 H 4.4451 8.2515 115.0966 54.2315 28.0097 181.6052 120 G 3.8197 7.3576 107.4766 44.9745 0.0000 172.8701 121 G 4.0634 8.7940 104.0358 45.9685 0.0000 176.3581 122 Q 4.0289 8.3953 119.3522 58.9947 28.6427 178.2157 123 E 4.0444 8.1332 119.4244 59.6877 29.5765 179.3743 124 T 3.7938 7.8031 109.2768 64.7301 68.8507 176.7663 125 T 4.0825 7.9321 120.0683 66.0224 68.2645 176.2669 126 Q 4.0096 8.0838 118.9664 59.0919 28.8992 178.5361 127 L 4.0880 7.7642 120.0404 58.0115 42.4454 180.6854 128 S 4.2556 8.2093 113.9830 58.5244 62.8863 176.0071 *130 L 4.4323 8.0120 123.9991 55.8055 43.8134 179.3388 131 L 4.0447 7.6893 117.8046 57.4046 41.6862 177.7335 132 P 4.2969 0.0000 0.0000 65.8663 30.8978 178.3847 133 L 4.1187 7.8811 117.7085 57.6576 41.8977 178.8280 134 L 4.2039 8.4788 119.4503 58.1667 41.3468 179.2853 135 H 4.2707 8.5309 115.3230 58.6151 28.6644 176.4989 136 H 4.9606 8.1017 115.6773 54.4125 29.7872 173.1048 137 G 3.3796 8.0774 115.0016 45.0621 0.0000 170.9009 *139 L 4.2908 7.7750 124.9230 54.9687 43.5474 174.9692 140 V 4.8499 8.4048 126.7278 61.6969 32.8093 174.7904 141 L 4.8346 8.9758 126.7965 54.0448 43.5192 176.1864 142 G 4.6880 8.3953 107.8297 45.0355 0.0000 172.3302 143 I 4.3775 8.2797 124.4097 58.9078 39.6781 173.3133 144 P 4.4527 0.0000 0.0000 62.0981 31.8079 176.2850 145 Y 4.3448 8.6737 122.3230 58.7003 38.2911 177.1136 146 S 4.3450 7.9555 115.0307 60.3469 63.7229 174.7762 147 E 4.0692 7.9284 118.2997 56.4566 29.6184 176.2623 148 P 3.8793 0.0000 0.0000 64.4062 30.9992 175.5645 *158 T 4.2052 7.8155 108.1999 60.9530 69.8022 172.8163 159 P 4.6910 0.0000 0.0000 64.0206 31.4166 177.2752 160 Y 4.5623 8.5493 115.5113 57.0571 38.5651 175.6383 161 G 4.0154 6.6120 106.2010 45.3868 0.0000 171.2850 162 A 4.6613 7.8130 120.6117 51.3073 20.2624 177.1043 163 S 5.4727 8.4543 115.3090 56.3876 67.3567 173.0179 164 H 5.0775 9.1924 119.4339 55.3654 33.6584 171.9108 165 F 5.2547 8.8675 127.9904 57.2631 39.9398 175.1441 166 A 4.0717 8.7772 127.5892 51.1019 20.3015 177.8129 167 G 3.7230 5.6987 100.5037 44.5479 0.0000 174.6141 168 A 4.0729 8.4559 122.1643 54.9157 18.3789 178.4948 169 D 4.4346 8.0027 112.1902 53.0063 40.0188 176.9213 170 G 3.8306 7.9934 107.8077 46.5322 0.0000 174.5728 171 K 4.3448 8.1779 117.1601 55.3998 33.1565 176.8128 172 R 3.8426 7.9735 120.7926 56.4792 30.2378 176.5241 173 S 4.3466 8.4349 120.9926 58.0025 63.6059 173.9871 174 L 4.2454 8.1669 123.1683 54.8849 41.9195 177.8898 175 D 4.7261 9.1838 124.2227 52.2580 41.9446 177.0899 176 E 3.8985 8.6790 119.2871 59.8653 29.3387 178.1016 177 H 4.1984 8.3128 117.5052 59.3635 30.0137 176.9467 178 E 3.9699 9.0167 120.8100 59.3181 29.3057 179.3182 179 L 3.9349 8.2447 119.3484 58.1245 41.6994 179.6405 180 T 3.8439 8.2123 115.9777 66.7616 68.3924 176.7161 181 L 3.9291 8.1454 121.0312 57.7749 41.5819 179.2862 182 C 4.0066 8.1530 116.7764 62.9542 28.0106 176.4573 183 R 4.0010 8.0828 119.3446 59.1349 29.5938 179.0090 184 A 3.9148 8.1140 120.7342 54.8416 18.2280 179.5155 185 L 3.9099 8.0602 119.1127 58.2050 42.1966 179.3948 186 G 3.5252 7.9398 105.7428 47.6660 0.0000 175.5293 187 K 4.0739 8.1936 122.2557 59.1487 32.1152 178.9378 188 R 3.8072 8.0583 119.0027 59.2982 29.9880 178.3436 189 L 3.8578 8.0763 118.8032 57.7569 41.5907 179.4255 190 A 3.2988 7.9044 120.4298 55.1099 18.3627 179.5649 191 E 3.9486 8.3729 117.4273 59.7124 29.4870 179.7984 192 T 3.7942 8.1583 115.9152 66.6216 68.5413 176.5313 193 A 4.0105 7.9296 122.8445 54.9222 18.2661 179.8442 194 G 3.8650 8.2086 104.6705 48.0962 0.0000 176.1149 195 K 4.0249 7.9298 119.8830 59.1813 32.1753 179.1989 196 L 4.2286 7.9483 118.2302 57.3658 41.6342 179.0614 197 G 3.9216 8.3920 103.1860 44.6640 0.0000 173.8976 198 S 4.6539 7.5538 121.9344 59.0034 65.2288 176.0472 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 S 8.33 4.45 0.00 3.88 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 4 P 0.00 4.32 0.00 1.97 2.04 0.00 3.44 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.09 0.00 5 Y 8.52 5.34 0.00 3.13 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 6 I 8.74 4.35 1.94 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.73 0.97 0.00 0.00 7 L 8.88 4.84 0.00 2.08 1.68 1.08 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 8 V 9.37 4.85 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 1.12 0.00 0.00 0.98 0.00 0.00 9 L 9.36 5.36 0.00 1.79 1.56 0.50 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 8.40 5.35 0.00 3.20 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 8.67 5.00 0.00 2.93 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 12 S 7.37 4.41 0.00 3.94 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 13 R 8.47 4.05 0.00 1.81 1.81 0.00 3.28 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.22 0.00 14 H 7.93 4.82 0.00 3.14 3.23 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.25 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 0.00 0.00 0.00 16 A 8.10 3.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.91 4.09 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 18 A 7.92 3.07 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 19 E 7.92 3.78 0.00 2.00 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 2.22 2.20 0.00 *21 A 8.21 3.87 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.70 3.85 0.00 1.93 1.92 0.00 3.09 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 23 Q 8.03 3.91 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 24 I 7.50 3.69 1.62 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.28 0.75 0.00 0.00 25 A 8.13 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 26 R 8.18 3.98 0.00 1.97 1.97 0.00 3.09 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 27 G 7.96 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 28 V 8.02 3.72 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 1.16 0.00 0.00 1.04 0.00 0.00 29 E 8.26 4.30 0.00 2.11 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 0.00 2.32 2.23 0.00 30 Q 8.17 4.18 0.00 2.36 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 31 G 7.97 4.09 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 0.00 32 G 8.18 4.03 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 0.00 0.00 0.00 33 F 7.96 4.84 0.00 3.00 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 34 E 8.80 4.30 0.00 2.21 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 2.40 2.30 0.00 35 A 8.58 5.42 1.24 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 36 R 9.07 4.41 0.00 1.62 1.80 0.00 2.73 0.00 0.00 2.98 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.39 0.00 37 V 8.47 4.87 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 1.04 0.00 0.00 0.96 0.00 0.00 38 R 9.29 4.83 0.00 1.67 1.75 0.00 3.26 0.00 0.00 3.07 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 39 T 8.46 5.11 3.37 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 1.20 0.00 0.00 40 V 7.99 4.78 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 0.32 0.00 0.00 1.00 0.00 0.00 41 P 0.00 4.16 0.00 1.76 1.29 0.00 3.56 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 1.70 0.88 0.00 42 A 8.35 4.15 1.27 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 0.00 0.00 43 V 7.74 4.35 1.66 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 0.35 0.00 0.00 0.73 0.00 0.00 44 S 7.76 4.47 0.00 3.87 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.10 4.14 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 1.17 0.00 0.00 46 E 8.32 4.23 0.00 2.30 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 2.16 1.83 0.00 *59 A 8.28 4.03 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.97 4.50 0.00 1.57 1.50 0.84 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.08 5.00 0.00 2.91 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 62 A 9.15 4.45 0.88 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 63 T 8.95 4.82 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 1.29 0.00 0.00 64 L 8.49 4.17 0.00 1.73 1.76 0.86 0.50 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 65 E 8.25 4.08 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 2.44 2.51 0.00 66 D 8.19 4.63 0.00 2.96 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 67 L 7.95 4.23 0.00 1.97 1.97 1.03 0.78 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 68 K 8.43 3.95 0.00 1.81 2.01 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.51 7.81 69 N 7.90 4.82 0.00 3.08 2.96 0.00 0.00 7.09 7.73 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 70 C 7.17 3.15 0.00 2.93 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 71 A 8.17 4.34 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 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4.83 0.00 1.57 1.55 0.89 0.80 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 0.00 142 G 8.40 4.69 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 0.00 143 I 8.28 4.38 1.68 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 1.23 1.13 -0.04 0.00 0.00 144 P 0.00 4.45 0.00 2.05 2.15 0.00 3.49 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 1.93 1.91 0.00 145 Y 8.67 4.34 0.00 3.01 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 0.00 146 S 7.96 4.34 0.00 3.99 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 0.00 147 E 7.93 4.07 0.00 2.14 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 2.40 2.25 0.00 148 P 0.00 3.88 0.00 2.09 2.05 0.00 3.70 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 2.02 2.13 0.00 *158 T 7.82 4.21 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 1.38 0.00 0.00 159 P 0.00 4.69 0.00 1.57 1.97 0.00 3.63 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 1.49 1.89 0.00 160 Y 8.55 4.56 0.00 3.24 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 0.00 161 G 6.61 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 0.00 0.00 0.00 162 A 7.81 4.66 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 0.00 163 S 8.45 5.47 0.00 3.82 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 H 9.19 5.08 0.00 3.22 3.16 0.00 5.57 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 0.00 165 F 8.87 5.25 0.00 3.03 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 0.00 166 A 8.78 4.07 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 0.00 167 G 5.70 3.72 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 0.00 0.00 0.00 168 A 8.46 4.07 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 0.00 169 D 8.00 4.43 0.00 2.73 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 G 7.99 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 K 8.18 4.34 0.00 2.02 1.80 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.45 7.81 172 R 7.97 3.84 0.00 1.57 1.63 0.00 3.26 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 173 S 8.43 4.35 0.00 3.90 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 0.00 174 L 8.17 4.25 0.00 1.58 1.58 0.82 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 175 D 9.18 4.73 0.00 2.98 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 0.00 176 E 8.68 3.90 0.00 2.07 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 2.41 2.40 0.00 177 H 8.31 4.20 0.00 3.30 3.51 0.00 5.92 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 0.00 178 E 9.02 3.97 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 2.43 2.58 0.00 179 L 8.24 3.93 0.00 1.81 1.68 0.95 0.63 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 0.00 180 T 8.21 3.84 4.41 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 1.19 0.00 0.00 181 L 8.15 3.93 0.00 1.63 1.67 0.92 1.15 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 0.00 182 C 8.15 4.01 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 0.00 183 R 8.08 4.00 0.00 1.94 2.09 0.00 3.09 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 184 A 8.11 3.91 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 0.00 185 L 8.06 3.91 0.00 1.80 1.74 0.90 0.95 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 0.00 186 G 7.94 3.53 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 0.00 0.00 0.00 0.00 187 K 8.19 4.07 0.00 1.93 1.90 0.00 1.62 0.00 0.00 1.55 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.53 7.81 188 R 8.06 3.81 0.00 1.94 1.97 0.00 3.08 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 189 L 8.08 3.86 0.00 1.92 1.59 0.93 0.97 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 0.00 190 A 7.90 3.30 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 E 8.37 3.95 0.00 2.01 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 2.34 2.50 0.00 192 T 8.16 3.79 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 193 A 7.93 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 G 8.21 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 0.00 195 K 7.93 4.02 0.00 1.89 1.89 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.63 7.81 196 L 7.95 4.23 0.00 1.75 1.73 0.94 0.72 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 0.00 197 G 8.39 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 S 7.55 4.65 0.00 4.02 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 * Residues marked with a * may have inaccurate shift predictions.