NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 T 4.4810 8.1749 117.3789 63.5108 69.9073 172.6849 7 V 4.3318 8.5048 116.3148 59.0406 34.8899 174.0883 8 A 4.4808 8.6677 126.4744 50.8316 21.0496 177.0970 9 A 4.3226 8.0762 123.0381 52.2629 19.3544 176.1695 10 Y 4.7827 7.8357 117.1909 55.6806 41.7613 174.3741 11 N 4.1063 8.9091 113.8675 54.3296 36.1309 174.7216 12 L 4.4594 7.7785 116.5069 55.2471 42.6440 178.1790 13 T 4.8470 9.2310 119.7946 61.5688 73.1987 172.6394 14 W 4.8345 8.8032 122.5068 54.8317 31.7794 175.5885 15 K 4.5939 9.4530 123.6634 54.6939 34.7426 175.2145 16 S 5.7403 8.4717 119.1924 56.0152 66.0979 172.6759 17 T 4.9382 8.3190 122.1864 62.7918 72.5561 173.7204 18 N 4.2706 10.3034 123.0355 54.3877 36.9616 176.0704 19 F 4.0075 7.7889 115.1029 57.2170 38.1160 175.1955 20 K 4.2560 8.4395 123.6110 56.8236 33.0051 175.6077 21 T 5.1797 8.8669 125.4589 61.9258 71.0229 173.6503 22 I 4.9745 8.9940 127.3819 59.3293 41.1281 174.3363 23 L 4.7422 8.4680 127.4122 53.6569 44.3677 175.0107 24 E 4.9601 9.0396 123.6275 54.8683 34.3293 174.7755 25 W 5.2888 7.6870 117.8459 56.1219 31.2784 172.7963 26 E 4.5572 8.4634 118.0260 54.2320 33.9370 173.5842 27 P 4.7408 0.0000 0.0000 61.7463 33.5840 174.9930 28 K 4.4066 8.4134 121.4949 55.2571 32.4943 174.8616 29 P 4.5740 0.0000 0.0000 62.7768 32.6214 176.3057 30 V 4.1177 8.1115 121.2603 61.1352 33.2252 174.5806 31 N 4.2641 8.7834 128.0767 53.6303 35.9866 173.8547 32 Q 5.0699 7.7406 112.7690 55.2004 32.1654 173.6575 33 V 4.6582 8.9644 112.5759 59.9166 36.4349 174.2132 34 Y 6.1291 9.0515 118.3804 55.8479 42.3527 174.9493 35 T 5.3368 8.5717 116.2768 60.8342 73.4136 172.9703 36 V 4.7938 8.2503 123.6298 61.2527 34.9652 174.3389 37 Q 5.2352 8.8885 124.1032 54.2317 32.8055 174.1792 38 I 5.5167 9.0525 122.9970 59.8706 42.2504 174.2287 39 S 4.8108 8.8579 120.6299 57.9815 66.5490 172.7876 40 T 4.7305 7.7652 107.5338 58.2070 71.3024 174.6676 41 K 3.6374 8.4606 121.9510 59.3754 32.0763 178.0132 42 S 4.5743 7.8917 111.7277 57.9153 63.3856 173.5669 43 G 3.9734 7.5630 109.7434 43.6193 0.0000 173.3190 44 D 4.6639 8.0940 118.9029 53.3142 42.0689 176.5521 45 W 4.8323 8.6687 120.0394 56.2796 30.4380 175.8643 46 K 4.7822 9.1170 124.1166 54.8893 34.7269 175.3490 47 S 5.1917 8.8574 122.4582 57.9460 64.9027 173.0243 48 K 3.8301 8.8184 120.8095 54.8998 37.2185 175.4976 49 C 4.4513 8.1050 114.5141 58.0786 37.1462 173.4039 50 F 3.8094 7.4395 119.4369 59.7213 40.0456 176.5976 51 Y 3.9214 7.0038 122.6665 59.4667 35.2898 171.8803 52 T 4.5400 8.1907 119.3637 61.4379 69.2886 174.5655 53 T 4.4775 8.2003 112.4141 61.4555 69.8502 174.2867 54 D 4.6379 8.0062 122.7662 54.8389 41.5682 175.4673 55 T 3.3737 7.7178 107.8818 60.4212 69.7453 173.0039 56 E 4.4768 7.0827 117.3762 56.0759 33.1115 174.8413 57 C 4.8538 9.1491 121.1195 55.2940 47.2404 172.6024 58 D 5.0101 8.8816 126.5798 54.2132 41.6180 176.0397 59 L 4.7471 8.8121 124.9912 54.8214 42.7436 178.6434 60 T 3.8391 8.1020 115.7853 66.9698 68.2574 175.0528 61 D 4.4622 8.0541 120.2781 57.7518 41.2967 179.1439 62 E 4.2238 8.3197 118.8116 59.3430 29.5858 179.3057 63 I 3.1625 7.5724 110.8440 63.4584 37.6353 177.4562 64 V 3.9605 7.8519 112.2234 61.6650 31.4808 177.8826 65 K 4.3714 7.9000 119.8089 58.1612 33.0929 177.1292 66 D 4.6830 7.8637 120.6347 51.8847 41.7105 175.9135 67 V 3.9992 8.0518 118.8756 63.4782 31.9387 177.9724 68 K 4.2278 7.6735 117.0626 56.9554 32.0732 176.6835 69 Q 4.3609 8.0392 119.7531 55.3017 31.2787 174.3754 70 T 4.8413 7.9212 115.7893 62.2048 71.4600 173.5182 71 Y 5.4654 9.2623 122.9244 55.4305 41.9087 174.3422 72 L 5.5372 8.5773 121.0876 53.7664 46.2663 174.7485 73 A 5.6472 9.3464 124.7253 50.7990 23.4189 174.9834 74 R 4.8295 8.7521 114.3404 54.6867 33.7180 174.0581 75 V 4.3986 8.0026 119.7130 61.0527 34.2672 174.4011 76 F 4.9317 9.1532 126.5969 56.0226 41.5507 174.8045 77 S 5.2676 8.3726 117.6622 57.0372 65.1308 173.2852 78 Y 4.9972 8.8793 122.6480 55.0240 40.9888 173.5927 79 P 4.7047 0.0000 0.0000 63.0305 32.6567 175.1964 80 A 4.1290 8.7212 124.9696 53.3039 18.6304 176.2839 81 G 4.2146 9.2350 113.3842 45.8070 0.0000 173.9801 82 N 4.7642 7.5640 120.4091 51.2150 38.3722 174.2750 83 V 3.7943 7.8346 117.6063 63.0132 31.7012 175.8929 84 E 4.6691 8.1364 116.4004 56.4040 29.9480 176.1677 85 S 4.3631 7.8847 113.7174 58.7072 62.9261 172.8144 86 T 4.7118 8.1400 118.3919 61.0860 70.5221 172.1711 87 G 4.2522 8.3895 112.5797 43.9622 0.0000 175.8318 88 S 3.9318 7.5549 114.4311 60.6798 63.5399 175.3402 89 A 4.5744 8.1249 122.2565 51.5370 19.0687 177.1884 90 G 4.0509 8.5973 105.2660 47.6956 0.0000 173.9651 91 E 4.8460 7.5295 116.7074 53.0159 32.8693 173.8411 92 P 4.7287 0.0000 0.0000 62.3132 32.4015 176.0241 93 L 4.2996 8.4075 123.4375 55.8441 43.2703 175.1647 94 Y 5.2449 7.7346 122.0783 56.5095 41.3531 172.8932 95 E 4.3892 8.1651 117.9773 55.0336 33.1180 173.5797 96 N 5.4199 8.7205 122.9138 52.0916 41.0305 174.7302 97 S 4.7248 8.6502 116.7083 56.4218 65.5265 171.7893 98 P 4.7382 0.0000 0.0000 62.6845 31.8912 176.4199 99 E 4.7385 8.7197 120.5139 56.3235 30.9680 176.0999 100 F 4.6907 8.7157 123.1448 57.1174 43.3162 173.4477 101 T 4.7217 7.8992 122.1028 60.0330 69.8297 173.1228 102 P 3.4599 0.0000 0.0000 65.5264 31.7628 177.8894 103 Y 4.4228 8.4559 118.9862 60.4349 38.7347 177.9966 104 L 4.5643 7.9745 116.2841 54.5768 42.6053 176.5009 105 E 4.5110 7.4257 115.4070 55.7745 31.6274 175.8208 106 T 4.2740 7.9097 113.7718 62.1690 68.3809 173.0800 107 N 4.8672 8.6838 122.2076 52.0875 41.1122 175.0377 108 L 4.7336 7.6316 121.4176 52.9874 44.1221 174.8376 109 G 3.8277 8.6745 104.6966 47.4534 0.0000 173.8993 *129 D 4.6895 7.9253 118.8691 52.5211 41.4970 175.8778 130 E 4.3622 7.9275 120.7409 55.5018 30.6425 176.0450 131 R 5.0679 8.4954 118.9931 55.3185 31.9145 174.9679 132 T 4.7867 8.6834 110.7402 59.8065 71.8575 173.7084 133 L 4.5904 8.7721 119.5483 54.8826 41.8054 177.1900 134 V 3.9522 7.6619 120.2022 62.1732 32.2542 175.0701 135 R 5.0133 8.2774 124.9821 54.6200 33.2111 174.9682 136 R 4.3085 8.6093 119.1637 56.1289 33.8936 175.0543 137 N 3.9346 9.1761 119.1905 55.7548 36.5200 173.5321 138 N 3.9849 7.8252 115.4557 54.0813 37.5338 173.9470 139 T 4.4832 8.0300 113.4350 60.1607 70.1189 172.1681 140 F 5.3557 8.4162 119.6325 55.9165 41.8253 175.3466 141 L 4.9010 9.0117 121.3683 53.3530 44.8494 175.3527 142 S 5.1219 8.7264 114.1486 56.5761 66.1306 175.5634 143 L 4.0595 8.8023 122.8250 58.5646 41.9243 179.4575 144 R 4.2027 8.1454 118.1187 59.3117 30.0361 177.8162 145 D 4.3704 8.2814 117.8643 56.4863 40.7652 177.9181 146 V 4.0119 7.5879 117.0299 63.8749 32.7729 176.6004 147 F 5.0759 7.7658 116.8569 57.3713 38.9626 181.8328 148 G 3.2888 8.2896 104.8156 44.9799 0.0000 175.4915 149 K 4.5043 8.2872 123.8281 55.8090 33.9890 176.8971 150 D 4.5801 8.9550 119.6712 54.8732 41.2968 175.1591 151 L 5.0456 7.7489 122.0686 53.1401 43.7738 175.2135 152 I 4.7809 8.5262 118.8017 59.5374 41.8018 173.1408 153 Y 5.1139 8.4657 118.9881 56.5796 41.9453 174.3811 154 T 4.8199 8.7865 115.2748 62.5281 72.9553 174.7381 155 L 4.4515 8.7135 121.6782 55.6919 44.1759 176.1752 156 Y 5.0191 7.4062 125.7490 58.5883 40.3757 173.1025 157 Y 4.6813 7.3068 114.1483 58.1735 39.5628 175.0718 *188 S 4.5667 7.5876 113.2370 58.1369 63.6054 172.5151 189 V 5.0892 7.8422 111.6700 60.3979 33.4685 175.2536 190 Q 5.1971 8.8146 122.3807 54.2064 33.1192 172.8289 191 A 4.6943 9.1204 126.3732 50.2606 21.5472 176.1264 192 V 4.6923 8.5410 120.7628 61.2991 35.7876 174.5473 193 I 5.2485 9.0216 126.8153 57.5465 38.5558 174.3281 194 P 4.2703 0.0000 0.0000 64.6310 31.6476 177.7329 195 S 4.5123 7.8788 112.6740 58.2660 63.0701 173.9864 196 R 4.4111 7.3549 120.9534 55.8819 31.5071 175.8586 197 T 4.3040 8.3693 106.7335 63.1600 70.0880 175.0929 198 V 4.1742 7.2251 113.1783 59.0895 34.5634 175.2348 199 N 4.0606 8.3853 116.1676 54.3502 35.9480 175.7924 200 R 4.0947 7.7051 120.8757 58.3897 31.6700 178.3394 201 K 4.9378 7.9304 116.1435 54.3930 35.0240 176.9185 202 S 4.7282 8.3945 117.3224 58.9897 65.3119 171.5729 203 T 4.7816 8.2407 112.5808 60.5096 69.6488 171.8622 204 D 5.8500 8.6919 119.0890 51.9349 44.1883 176.1544 205 S 4.2056 8.2403 113.4215 58.8862 63.1896 173.7939 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 6 T 8.17 4.48 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 1.33 0.00 0.00 7 V 8.50 4.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.11 0.00 0.00 8 A 8.67 4.48 1.18 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 0.00 0.00 9 A 8.08 4.32 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 10 Y 7.84 4.78 0.00 3.06 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 11 N 8.91 4.11 0.00 3.05 2.94 0.00 0.00 6.93 6.83 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 12 L 7.78 4.46 0.00 1.46 1.45 0.83 0.68 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 13 T 9.23 4.85 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 1.26 0.00 0.00 14 W 8.80 4.83 0.00 2.80 2.38 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 15 K 9.45 4.59 0.00 1.64 1.68 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.64 7.81 16 S 8.47 5.74 0.00 3.79 3.87 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 17 T 8.32 4.94 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 1.21 0.00 0.00 18 N 10.30 4.27 0.00 2.90 2.93 0.00 0.00 7.02 8.42 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 19 F 7.79 4.01 0.00 3.38 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 0.00 20 K 8.44 4.26 0.00 1.93 1.85 0.00 1.54 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.51 7.81 21 T 8.87 5.18 4.38 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 1.25 0.00 0.00 22 I 8.99 4.97 1.83 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 1.27 0.98 0.84 0.00 0.00 23 L 8.47 4.74 0.00 1.17 1.41 -0.34 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 24 E 9.04 4.96 0.00 1.76 1.53 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 2.01 2.12 0.00 25 W 7.69 5.29 0.00 2.99 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 26 E 8.46 4.56 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 27 P 0.00 4.74 0.00 2.16 2.21 0.00 3.84 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 28 K 8.41 4.41 0.00 1.77 1.77 0.00 1.57 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.48 7.81 29 P 0.00 4.57 0.00 2.17 1.81 0.00 3.82 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 30 V 8.11 4.12 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 0.81 0.00 0.00 1.01 0.00 0.00 31 N 8.78 4.26 0.00 3.03 2.87 0.00 0.00 6.55 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 32 Q 7.74 5.07 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.22 6.83 0.00 0.00 0.00 0.00 0.00 2.16 2.06 0.00 33 V 8.96 4.66 2.34 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 0.75 0.00 0.00 1.21 0.00 0.00 34 Y 9.05 6.13 0.00 3.04 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 35 T 8.57 5.34 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 1.01 0.00 0.00 36 V 8.25 4.79 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.54 0.00 0.00 37 Q 8.89 5.24 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.47 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 38 I 9.05 5.52 2.05 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.94 1.11 0.00 0.00 39 S 8.86 4.81 0.00 3.16 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 40 T 7.77 4.73 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 0.62 0.00 0.00 41 K 8.46 3.64 0.00 1.66 1.88 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.36 1.38 7.81 42 S 7.89 4.57 0.00 3.73 3.76 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 0.00 0.00 0.00 43 G 7.56 3.97 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 0.00 0.00 0.00 44 D 8.09 4.66 0.00 2.61 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 45 W 8.67 4.83 0.00 3.15 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 9.12 4.78 0.00 1.92 1.73 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.48 7.81 47 S 8.86 5.19 0.00 4.05 3.73 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 48 K 8.82 3.83 0.00 1.43 1.54 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.56 7.81 49 C 8.11 4.45 0.00 3.05 3.24 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 50 F 7.44 3.81 0.00 3.11 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 51 Y 7.00 3.92 0.00 3.07 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.19 4.54 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 1.61 0.00 0.00 53 T 8.20 4.48 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 1.24 0.00 0.00 54 D 8.01 4.64 0.00 2.72 2.53 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 55 T 7.72 3.37 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 56 E 7.08 4.48 0.00 1.80 1.69 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 1.95 2.17 0.00 57 C 9.15 4.85 0.00 3.28 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 58 D 8.88 5.01 0.00 2.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.81 4.75 0.00 1.77 1.71 0.76 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 60 T 8.10 3.84 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 1.42 0.00 0.00 61 D 8.05 4.46 0.00 2.69 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 62 E 8.32 4.22 0.00 2.12 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 0.00 2.38 2.54 0.00 63 I 7.57 3.16 1.64 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.59 0.57 0.00 0.00 64 V 7.85 3.96 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 0.93 0.00 0.00 1.09 0.00 0.00 65 K 7.90 4.37 0.00 1.98 1.91 0.00 1.81 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.50 1.71 7.81 66 D 7.86 4.68 0.00 2.67 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 67 V 8.05 4.00 2.33 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 0.37 0.00 0.00 0.85 0.00 0.00 68 K 7.67 4.23 0.00 1.77 1.69 0.00 1.39 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.96 1.11 7.81 69 Q 8.04 4.36 0.00 1.71 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.72 6.66 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 70 T 7.92 4.84 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 1.21 0.00 0.00 71 Y 9.26 5.47 0.00 2.84 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 72 L 8.58 5.54 0.00 1.74 1.58 1.29 1.28 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 73 A 9.35 5.65 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 74 R 8.75 4.83 0.00 1.47 2.06 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.06 0.00 75 V 8.00 4.40 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 -0.38 0.00 0.00 -0.28 0.00 0.00 76 F 9.15 4.93 0.00 2.62 2.38 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 77 S 8.37 5.27 0.00 3.73 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 78 Y 8.88 5.00 0.00 2.88 2.84 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 79 P 0.00 4.70 0.00 2.14 2.22 0.00 3.84 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.04 0.00 80 A 8.72 4.13 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 81 G 9.23 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 N 7.56 4.76 0.00 2.79 2.69 0.00 0.00 6.96 7.62 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 83 V 7.83 3.79 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 0.21 0.00 0.00 0.32 0.00 0.00 84 E 8.14 4.67 0.00 2.09 1.89 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 2.16 2.30 0.00 85 S 7.88 4.36 0.00 4.12 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 86 T 8.14 4.71 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 1.24 0.00 0.00 87 G 8.39 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 0.00 0.00 0.00 0.00 88 S 7.55 3.93 0.00 3.91 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 89 A 8.12 4.57 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 90 G 8.60 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 91 E 7.53 4.85 0.00 2.16 1.89 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 2.23 2.48 0.00 92 P 0.00 4.73 0.00 2.30 2.18 0.00 3.82 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.78 0.00 93 L 8.41 4.30 0.00 1.81 1.57 0.85 0.78 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 94 Y 7.73 5.24 0.00 2.18 1.79 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 95 E 8.17 4.39 0.00 1.88 1.55 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 2.35 2.31 0.00 96 N 8.72 5.42 0.00 2.69 2.83 0.00 0.00 7.07 7.52 0.00 0.00 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 S 8.65 4.72 0.00 3.90 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 4.74 0.00 2.31 2.21 0.00 3.99 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 99 E 8.72 4.74 0.00 1.89 1.89 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 2.37 2.39 0.00 100 F 8.72 4.69 0.00 1.51 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 0.00 101 T 7.90 4.72 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 1.21 0.00 0.00 102 P 0.00 3.46 0.00 2.60 2.41 0.00 4.03 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 2.25 2.27 0.00 103 Y 8.46 4.42 0.00 3.22 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 0.00 104 L 7.97 4.56 0.00 1.60 1.64 0.95 0.83 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 0.00 105 E 7.43 4.51 0.00 1.30 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 2.10 2.14 0.00 106 T 7.91 4.27 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 0.29 0.00 0.00 107 N 8.68 4.87 0.00 2.80 2.67 0.00 0.00 7.31 6.64 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 0.00 108 L 7.63 4.73 0.00 1.42 1.56 0.57 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 109 G 8.67 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 *129 D 7.93 4.69 0.00 2.80 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 0.00 130 E 7.93 4.36 0.00 2.02 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 2.37 2.33 0.00 131 R 8.50 5.07 0.00 1.77 1.93 0.00 2.76 0.00 0.00 2.86 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 132 T 8.68 4.79 4.66 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 1.48 0.00 0.00 133 L 8.77 4.59 0.00 1.88 1.92 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 134 V 7.66 3.95 1.90 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 0.83 0.00 0.00 0.12 0.00 0.00 135 R 8.28 5.01 0.00 1.66 1.59 0.00 2.69 0.00 0.00 2.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.37 0.00 136 R 8.61 4.31 0.00 1.73 1.65 0.00 3.07 0.00 0.00 3.07 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 137 N 9.18 3.93 0.00 2.76 3.08 0.00 0.00 7.08 7.77 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 0.00 138 N 7.83 3.98 0.00 2.82 2.82 0.00 0.00 6.95 7.50 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 0.00 139 T 8.03 4.48 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 1.26 0.00 0.00 140 F 8.42 5.36 0.00 2.96 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 0.00 141 L 9.01 4.90 0.00 1.53 1.57 0.85 0.67 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 0.00 142 S 8.73 5.12 0.00 4.08 3.99 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 0.00 143 L 8.80 4.06 0.00 2.12 1.92 1.19 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 144 R 8.15 4.20 0.00 2.10 1.99 0.00 3.53 0.00 0.00 3.47 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.86 0.00 145 D 8.28 4.37 0.00 2.86 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 0.00 146 V 7.59 4.01 1.75 0.00 0.00 0.00 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 0.87 0.00 0.00 147 F 7.77 5.08 0.00 3.22 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.29 3.29 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 0.00 149 K 8.29 4.50 0.00 1.78 1.86 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.40 7.81 150 D 8.95 4.58 0.00 2.85 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 0.00 151 L 7.75 5.05 0.00 1.61 1.58 0.53 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 152 I 8.53 4.78 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.90 0.89 0.00 0.00 153 Y 8.47 5.11 0.00 2.88 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 0.00 154 T 8.79 4.82 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 1.29 0.00 0.00 155 L 8.71 4.45 0.00 1.63 1.60 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 156 Y 7.41 5.02 0.00 2.67 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 0.00 157 Y 7.31 4.68 0.00 2.93 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 *188 S 7.59 4.57 0.00 3.80 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 0.00 189 V 7.84 5.09 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 0.76 0.00 0.00 0.92 0.00 0.00 190 Q 8.81 5.20 0.00 2.26 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.14 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 191 A 9.12 4.69 1.05 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 0.00 192 V 8.54 4.69 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 0.99 0.00 0.00 0.87 0.00 0.00 193 I 9.02 5.25 1.55 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 1.48 0.71 0.00 0.00 194 P 0.00 4.27 0.00 2.14 2.13 0.00 3.89 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 1.95 1.91 0.00 195 S 7.88 4.51 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 R 7.35 4.41 0.00 1.81 2.02 0.00 2.96 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.37 0.00 197 T 8.37 4.30 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 1.20 0.00 0.00 198 V 7.23 4.17 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 0.71 0.00 0.00 0.92 0.00 0.00 199 N 8.39 4.06 0.00 2.71 2.93 0.00 0.00 6.97 7.78 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 0.00 200 R 7.71 4.09 0.00 1.70 2.04 0.00 3.16 0.00 0.00 3.43 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.61 0.00 201 K 7.93 4.94 0.00 1.56 1.66 0.00 1.70 0.00 0.00 1.93 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.28 1.35 7.81 202 S 8.39 4.73 0.00 3.75 3.66 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 0.00 203 T 8.24 4.78 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 1.21 0.00 0.00 204 D 8.69 5.85 0.00 2.63 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 0.00 205 S 8.24 4.21 0.00 3.89 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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.