NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 K 4.2971 8.3149 120.0013 56.6785 34.7988 176.8251 22 L 4.3924 7.6787 121.0257 52.2656 40.3296 174.6143 23 I 4.2160 8.1786 122.0723 61.9041 39.9517 178.0020 24 E 4.0173 8.2932 120.6347 59.3771 29.3519 178.8239 25 S 5.2565 8.0789 109.9038 59.0718 63.5995 174.1397 26 L 4.3570 7.7142 121.8609 55.2032 42.4834 176.6671 27 Q 4.2008 7.8611 118.5530 58.5217 29.4694 176.1570 28 E 4.6837 8.0200 114.1789 55.7676 30.0303 175.1237 29 N 4.9590 8.0395 116.2776 53.2740 38.5085 173.2541 30 E 4.8312 8.2079 116.4737 54.6263 33.8295 174.0552 31 L 4.2065 8.3555 119.2257 54.7986 42.4785 176.9360 32 L 4.6698 8.0135 122.7292 53.5061 42.6451 176.8770 33 N 4.5738 9.2832 121.7609 52.5621 38.8198 176.4158 34 T 3.8478 8.5325 116.6381 67.2348 68.4738 176.1817 35 D 4.3609 8.1242 120.0402 57.4024 40.7505 178.5463 36 E 3.9465 8.6666 118.5780 58.9894 29.6781 179.1423 37 K 4.0359 8.0985 119.8039 59.5224 32.2986 178.7878 38 K 3.8996 7.9360 119.5693 59.2855 31.8784 178.4234 39 K 3.8485 8.1764 120.1636 59.5253 32.0412 178.8087 40 I 3.7252 7.6999 119.7847 64.5085 37.1310 178.2790 41 I 3.6467 7.7481 120.0370 64.7418 36.9374 178.0770 42 D 4.3283 8.3546 119.7208 57.4110 40.3729 178.8748 43 Q 3.9440 7.5523 117.8704 59.0222 28.7606 178.6305 44 I 3.6275 7.4760 119.9639 63.8867 37.3363 178.1474 45 K 4.0259 7.9185 120.6697 59.5510 31.9405 179.5431 46 T 3.5979 7.8842 112.5873 64.7133 68.0459 175.3851 *48 H 4.5540 8.1021 122.9208 56.3188 31.6905 175.1775 49 D 4.4024 7.9819 119.1569 56.9672 40.2963 178.5079 50 F 4.1194 7.6706 120.1375 61.2971 39.5314 176.7069 51 F 4.6481 7.8755 115.3841 60.7761 39.1025 176.9212 52 K 4.2076 7.9922 120.2242 58.7470 32.1615 179.5889 53 Q 3.9776 8.1728 120.4340 55.6598 27.8004 177.8207 *55 H 4.7500 8.1473 116.1502 55.5542 30.8086 174.3121 56 T 4.1016 7.5086 115.8174 65.0439 68.9534 174.9597 57 N 4.5920 7.5307 119.9726 52.0355 39.8123 175.1135 58 K 4.1312 8.5639 129.2920 59.7528 32.6499 178.8571 59 G 3.6174 8.1205 105.1222 47.5882 0.0000 175.1883 60 A 3.9251 8.5884 123.5527 55.0511 18.2834 179.4749 61 L 3.7147 7.5556 118.7369 57.8251 42.0972 178.7255 62 D 4.2811 7.8892 117.9271 57.1361 41.3520 177.8793 63 K 3.8472 8.0400 120.1753 59.2412 32.1087 179.0713 64 V 3.3266 7.3923 118.1998 65.9234 31.2924 177.9296 65 L 4.0188 7.6755 117.4727 58.0876 41.5376 179.6568 66 R 3.6786 7.7465 116.7383 58.1674 29.9750 177.7441 67 N 4.9138 7.5313 113.4683 53.4378 40.0717 175.4131 68 Y 4.6790 8.5892 118.7623 57.9539 39.1497 177.3405 *70 K 4.2707 8.0612 122.8046 55.8917 34.2010 175.0491 71 D 4.8084 7.5210 117.3772 51.0551 41.0757 174.3417 72 Y 4.2772 8.3244 124.2571 60.3251 38.9798 177.0175 73 R 3.6030 8.2554 115.9284 59.6813 29.1848 178.3784 74 A 3.9848 9.0868 121.9235 54.3912 18.3127 179.7869 75 V 3.6145 7.9266 117.3116 66.2114 31.4629 178.4012 76 I 3.9405 7.9841 112.9883 63.2802 37.0638 178.2378 77 K 4.0504 7.3584 119.5691 59.0947 32.4061 178.9682 78 S 4.2896 8.6827 114.9999 60.7747 62.8651 175.4074 79 I 4.1846 8.1511 119.9826 62.0027 38.9851 176.7249 80 G 4.2161 7.1881 106.9110 46.1109 0.0000 174.9333 81 V 3.9349 8.3998 114.5702 64.0663 31.2045 178.6035 82 D 4.3689 8.1953 118.8775 56.3520 38.7241 178.3526 83 K 3.8128 7.9497 120.8795 58.7760 32.2812 178.8975 84 F 4.0826 8.0827 117.8260 60.4140 38.7691 177.3336 85 K 4.1728 8.3867 118.3718 59.2075 32.2201 178.5686 86 K 4.0344 7.5429 119.7645 59.6272 32.1735 179.1212 87 V 3.3918 7.2087 112.0572 64.6835 31.3001 178.3107 88 Y 3.9735 7.5417 115.6858 60.8718 37.7210 178.8942 89 R 3.8478 7.7815 118.9233 59.0810 30.1790 178.7201 90 L 4.0841 7.6811 119.5477 57.7035 42.1074 178.8192 91 L 4.0720 8.2992 119.7951 57.5339 40.9697 178.8382 92 E 4.2208 8.4167 120.8021 58.8047 29.3532 179.0173 93 S 4.2335 7.7927 113.6461 61.8813 63.3030 176.2786 94 E 4.4542 8.4300 121.4479 59.4065 28.8636 180.1985 95 T 3.6770 8.1993 109.3155 61.7259 68.7085 176.0115 *97 E 4.3411 8.1774 123.6916 57.2202 31.7476 177.2242 98 L 3.6151 7.9606 119.9217 57.9572 41.8823 178.5195 99 L 3.8225 7.6967 120.1718 58.6709 41.9128 178.8017 100 H 4.1579 8.0309 115.2457 58.5084 28.8068 177.2925 101 A 3.8099 8.0722 122.9274 55.3195 17.9372 179.6450 102 I 3.6156 7.7324 116.8105 64.4308 37.2307 177.9531 103 A 4.1261 7.8200 120.6962 55.0971 18.2824 178.5053 104 E 4.5062 7.9493 113.7855 55.4890 31.4424 176.1800 105 N 5.0342 7.6122 114.4469 50.4117 38.9548 172.8232 106 P 4.3887 0.0000 0.0000 65.5178 31.9708 177.2840 107 N 4.7740 8.1049 112.0391 53.1580 38.9550 174.4658 108 F 3.8915 8.2165 122.5368 59.7643 39.7058 176.0388 109 L 4.2906 8.4213 131.1756 55.5984 38.0452 173.8627 110 F 4.4432 8.1382 122.4325 59.3126 40.9444 175.0043 111 S 5.1169 8.7450 113.6832 55.2599 66.3298 174.9688 112 K 4.0638 8.4893 119.9972 59.3280 31.5453 179.3954 113 F 4.4586 8.5051 120.8094 61.4354 39.1847 176.3834 114 D 4.4841 8.4249 117.7340 56.2284 40.4990 178.1160 115 R 4.0892 8.3537 119.4649 57.8505 29.7339 177.8950 116 S 4.3312 7.7776 114.1628 59.7882 63.3715 176.0793 117 I 4.0234 8.0066 124.8463 64.3539 36.8205 177.9495 118 L 4.4623 7.9576 120.4218 57.6965 41.2306 179.3938 119 G 3.8231 7.6327 103.2410 47.2657 0.0000 175.1365 120 I 3.9652 7.4507 121.0385 63.5519 37.4314 177.3000 121 F 5.0165 8.2371 117.9187 59.0180 39.5237 177.8472 122 L 4.3218 8.3841 118.5081 57.8374 41.2107 177.5703 123 P 4.2756 0.0000 0.0000 64.2393 31.2675 176.8759 124 F 5.1670 8.2158 114.2769 57.1229 39.9904 175.1368 125 F 4.9759 8.4329 122.1784 59.5888 41.2545 175.5912 126 S 3.9968 8.4548 115.4593 57.5515 62.5707 173.6741 127 K 3.4653 8.1997 129.2678 58.8005 32.5351 176.1026 128 P 4.3824 0.0000 0.0000 65.6882 31.3974 178.5869 129 I 3.7075 7.7140 113.9151 62.5681 36.4799 176.4318 *131 F 5.4328 7.9696 123.6762 58.3876 40.7535 176.7850 132 K 4.0561 7.7775 121.7570 55.9933 31.0977 175.8931 *134 S 4.2616 7.7763 111.4293 57.7146 64.2594 173.8164 135 I 3.8629 8.2720 120.2435 64.7789 37.3070 177.8833 136 R 4.0613 8.2804 118.7127 59.7399 30.1463 179.0361 137 E 3.8053 7.8896 114.1771 57.9002 30.0150 178.3354 *139 D 4.4572 8.2218 120.3365 54.2914 42.9965 177.7822 140 S 4.2462 8.0746 114.0388 61.0894 62.9434 176.2165 141 Q 4.0806 8.2363 123.4707 59.1755 28.7905 178.1619 142 I 3.7605 7.7776 120.4229 64.2201 37.2670 177.8365 143 E 3.8686 8.1920 120.1194 59.1998 29.4622 178.1842 144 L 3.9139 8.4472 120.6089 58.7288 41.9974 178.3972 145 Y 3.9476 8.6803 116.7054 61.2697 37.6856 179.2360 146 G 3.7092 8.2323 105.3236 47.5987 0.0000 175.0848 147 T 4.2472 7.4829 110.5364 63.8155 68.4226 177.1947 148 K 4.0303 8.2035 121.4198 59.1762 30.8013 178.9978 149 L 4.1585 7.5593 119.1414 57.5666 41.3508 177.6427 150 P 4.0927 0.0000 0.0000 65.3080 31.4375 177.4457 151 L 4.5001 7.0682 124.1260 51.6630 40.4173 174.6242 152 L 4.4812 8.0939 121.3754 55.5762 49.8100 175.3303 153 K 3.8123 7.2269 113.3136 57.3727 29.4259 175.3210 154 L 3.8556 7.1756 119.6657 55.4927 42.7754 178.1905 155 F 4.0786 8.1469 118.1726 58.3026 36.4484 175.1941 156 V 4.2025 7.0557 119.7691 61.3460 33.0367 175.0684 *158 T 4.2268 7.9564 113.2760 61.2169 69.7559 173.6769 159 D 4.5333 8.8017 121.7544 57.6428 41.3221 177.8874 160 E 4.1306 8.4625 119.3116 59.5505 29.8578 178.9243 161 E 4.1176 8.2872 114.7522 57.4876 29.3181 178.4569 *163 N 4.6336 8.2769 117.7668 53.5465 40.5844 176.0745 164 F 3.9337 8.1041 119.4017 62.1016 38.9256 176.7917 165 Y 3.6820 8.3423 115.5324 60.9679 37.4701 178.7737 166 A 4.0980 7.6999 120.5248 54.9838 18.5345 178.8352 167 N 4.4084 7.8053 113.5160 53.7445 39.2450 175.8341 168 L 3.4182 6.0666 117.8455 55.0796 42.2018 176.7401 169 K 4.4971 8.6225 120.3319 57.0641 34.8116 176.8760 170 T 4.9559 7.5151 107.2762 59.0252 73.2302 174.6480 171 I 4.2887 8.3953 115.0660 63.6464 37.6883 178.0480 172 E 3.9901 8.2384 120.8482 59.4501 29.4676 178.3911 173 Q 4.0041 7.8854 119.1029 59.5259 29.0840 177.6752 174 Y 4.2189 7.8389 120.2613 61.2631 38.7487 178.0331 175 N 4.1838 8.7599 117.3553 56.4355 38.5254 176.9945 176 D 4.3304 8.0573 119.6019 56.9058 40.8900 177.9719 177 Y 3.9641 8.3174 120.0045 60.6072 38.9276 178.2337 178 V 3.6193 7.8462 119.8442 64.0392 31.7012 178.2327 179 R 3.3471 7.6032 118.7600 59.0735 29.9515 177.2903 180 D 4.2976 8.1889 115.6870 54.3355 41.2826 175.8667 181 L 3.9032 8.2913 124.8421 55.9335 42.4805 174.0867 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 21 K 8.31 4.30 0.00 1.90 2.02 0.00 1.54 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.51 7.81 22 L 7.68 4.39 0.00 1.86 1.80 0.96 0.55 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 23 I 8.18 4.22 1.87 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 1.38 0.99 0.88 0.00 0.00 24 E 8.29 4.02 0.00 2.04 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 0.00 2.43 2.28 0.00 25 S 8.08 5.26 0.00 4.17 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.71 4.36 0.00 1.31 1.72 0.37 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 7.86 4.20 0.00 2.21 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.10 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 28 E 8.02 4.68 0.00 2.15 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 2.30 2.24 0.00 29 N 8.04 4.96 0.00 3.03 3.35 0.00 0.00 5.97 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 30 E 8.21 4.83 0.00 1.99 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 2.27 2.32 0.00 31 L 8.36 4.21 0.00 1.39 1.37 0.74 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.01 4.67 0.00 1.44 1.55 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 33 N 9.28 4.57 0.00 2.93 2.90 0.00 0.00 6.53 6.60 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 34 T 8.53 3.85 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 1.20 0.00 0.00 35 D 8.12 4.36 0.00 2.80 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 36 E 8.67 3.95 0.00 2.02 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 2.34 2.49 0.00 37 K 8.10 4.04 0.00 1.81 2.00 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.43 1.44 7.81 38 K 7.94 3.90 0.00 1.93 1.92 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.61 7.81 39 K 8.18 3.85 0.00 1.99 1.96 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.49 7.81 40 I 7.70 3.73 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 1.80 0.79 0.91 0.00 0.00 41 I 7.75 3.65 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.03 0.86 0.00 0.00 42 D 8.35 4.33 0.00 2.64 2.68 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 0.00 0.00 0.00 0.00 43 Q 7.55 3.94 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 44 I 7.48 3.63 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.61 0.66 0.00 0.00 45 K 7.92 4.03 0.00 1.84 1.91 0.00 1.41 0.00 0.00 1.54 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.37 1.59 7.81 46 T 7.88 3.60 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 1.24 0.00 0.00 *48 H 8.10 4.55 0.00 3.11 3.41 0.00 5.67 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.98 4.40 0.00 2.75 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 50 F 7.67 4.12 0.00 3.10 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 51 F 7.88 4.65 0.00 3.25 3.34 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 52 K 7.99 4.21 0.00 1.86 1.92 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.27 7.81 53 Q 8.17 3.98 0.00 2.15 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.15 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 *55 H 8.15 4.75 0.00 3.26 3.55 0.00 5.71 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.51 4.10 4.14 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 1.21 0.00 0.00 57 N 7.53 4.59 0.00 2.78 2.84 0.00 0.00 7.18 7.92 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 58 K 8.56 4.13 0.00 1.89 1.76 0.00 1.67 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.56 7.81 59 G 8.12 3.62 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 0.00 0.00 0.00 60 A 8.59 3.93 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.56 3.71 0.00 1.55 1.57 0.72 1.16 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 62 D 7.89 4.28 0.00 2.83 2.69 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 63 K 8.04 3.85 0.00 1.87 1.95 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.41 7.81 64 V 7.39 3.33 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 -0.12 0.00 0.00 0.72 0.00 0.00 65 L 7.68 4.02 0.00 1.75 1.89 0.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.75 3.68 0.00 1.58 1.69 0.00 2.96 0.00 0.00 2.93 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.60 0.00 67 N 7.53 4.91 0.00 3.09 2.98 0.00 0.00 6.91 7.34 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 68 Y 8.59 4.68 0.00 2.95 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 *70 K 8.06 4.27 0.00 1.27 1.61 0.00 1.46 0.00 0.00 1.34 0.00 0.00 2.58 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.05 0.21 7.81 71 D 7.52 4.81 0.00 2.66 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 72 Y 8.32 4.28 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 73 R 8.26 3.60 0.00 2.04 2.25 0.00 3.02 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.78 0.00 74 A 9.09 3.98 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 7.93 3.61 2.30 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 1.36 0.00 0.00 1.09 0.00 0.00 76 I 7.98 3.94 1.70 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.46 0.50 0.00 0.00 77 K 7.36 4.05 0.00 1.79 1.87 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.58 7.81 78 S 8.68 4.29 0.00 3.83 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 79 I 8.15 4.18 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.60 0.56 0.00 0.00 80 G 7.19 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 0.00 0.00 0.00 0.00 81 V 8.40 3.93 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 0.93 0.00 0.00 0.99 0.00 0.00 82 D 8.20 4.37 0.00 2.96 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 83 K 7.95 3.81 0.00 1.71 1.60 0.00 1.41 0.00 0.00 1.53 0.00 0.00 3.01 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.24 1.37 7.81 84 F 8.08 4.08 0.00 3.39 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 85 K 8.39 4.17 0.00 2.03 1.91 0.00 1.84 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.53 7.81 86 K 7.54 4.03 0.00 1.88 1.90 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.44 7.81 87 V 7.21 3.39 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 0.44 0.00 0.00 0.12 0.00 0.00 88 Y 7.54 3.97 0.00 3.18 3.14 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 89 R 7.78 3.85 0.00 1.95 1.88 0.00 3.07 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.89 0.00 90 L 7.68 4.08 0.00 1.71 1.77 0.93 0.67 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 91 L 8.30 4.07 0.00 1.56 0.81 0.69 -0.04 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 92 E 8.42 4.22 0.00 2.31 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 2.26 2.27 0.00 93 S 7.79 4.23 0.00 4.16 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 94 E 8.43 4.45 0.00 2.47 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 2.84 2.69 0.00 95 T 8.20 3.68 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 0.91 0.00 0.00 *97 E 8.18 4.34 0.00 2.23 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 0.00 2.55 2.69 0.00 98 L 7.96 3.62 0.00 0.83 1.57 0.52 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 99 L 7.70 3.82 0.00 1.85 1.45 0.79 0.93 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 0.00 100 H 8.03 4.16 0.00 3.35 3.28 0.00 5.69 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 A 8.07 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.73 3.62 2.02 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 1.59 0.76 0.91 0.00 0.00 103 A 7.82 4.13 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 0.00 104 E 7.95 4.51 0.00 1.94 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 2.25 2.37 0.00 105 N 7.61 5.03 0.00 2.79 2.58 0.00 0.00 6.97 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 0.00 106 P 0.00 4.39 0.00 2.07 2.18 0.00 3.69 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 2.05 2.15 0.00 107 N 8.10 4.77 0.00 2.92 2.93 0.00 0.00 6.82 7.45 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 0.00 108 F 8.22 3.89 0.00 2.26 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 0.00 109 L 8.42 4.29 0.00 1.78 2.08 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 110 F 8.14 4.44 0.00 3.07 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 S 8.74 5.12 0.00 4.17 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 0.00 112 K 8.49 4.06 0.00 1.88 1.96 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.65 7.81 113 F 8.51 4.46 0.00 3.26 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 D 8.42 4.48 0.00 2.91 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 0.00 115 R 8.35 4.09 0.00 1.87 1.98 0.00 3.14 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 1.66 1.70 0.00 116 S 7.78 4.33 0.00 3.85 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 0.00 117 I 8.01 4.02 1.99 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 1.77 1.31 1.19 0.00 0.00 118 L 7.96 4.46 0.00 1.98 1.85 1.01 0.85 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 0.00 119 G 7.63 3.82 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 0.00 0.00 0.00 120 I 7.45 3.97 1.17 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.52 0.49 0.00 0.00 121 F 8.24 5.02 0.00 3.36 3.70 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 0.00 122 L 8.38 4.32 0.00 1.87 1.88 1.20 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 123 P 0.00 4.28 0.00 1.44 1.83 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 124 F 8.22 5.17 0.00 3.12 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 0.00 125 F 8.43 4.98 0.00 3.36 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.45 4.00 0.00 3.89 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 K 8.20 3.47 0.00 0.79 1.32 0.00 1.46 0.00 0.00 1.34 0.00 0.00 2.36 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.00 0.57 7.81 128 P 0.00 4.38 0.00 2.19 2.05 0.00 3.49 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 129 I 7.71 3.71 2.03 0.00 0.00 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 1.21 0.78 0.91 0.00 0.00 *131 F 7.97 5.43 0.00 3.10 3.13 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 0.00 0.00 0.00 132 K 7.78 4.06 0.00 1.95 1.81 0.00 1.92 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.38 7.81 *134 S 7.78 4.26 0.00 4.03 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 0.00 135 I 8.27 3.86 1.88 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 1.43 0.82 0.94 0.00 0.00 136 R 8.28 4.06 0.00 1.83 2.00 0.00 3.31 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 137 E 7.89 3.81 0.00 2.23 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 2.33 2.27 0.00 *139 D 8.22 4.46 0.00 2.88 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 0.00 140 S 8.07 4.25 0.00 4.12 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Q 8.24 4.08 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 142 I 7.78 3.76 1.92 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.48 0.71 0.00 0.00 143 E 8.19 3.87 0.00 2.25 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 2.30 2.36 0.00 144 L 8.45 3.91 0.00 1.96 1.99 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 145 Y 8.68 3.95 0.00 3.25 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 0.00 146 G 8.23 3.71 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 0.00 0.00 0.00 147 T 7.48 4.25 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 1.22 0.00 0.00 148 K 8.20 4.03 0.00 1.65 1.76 0.00 1.54 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.40 7.81 149 L 7.56 4.16 0.00 1.92 1.77 0.80 1.62 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 0.00 150 P 0.00 4.09 0.00 2.16 2.15 0.00 3.73 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 2.13 2.27 0.00 151 L 7.07 4.50 0.00 1.78 1.64 0.91 0.91 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 0.00 152 L 8.09 4.48 0.00 1.70 1.69 0.84 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 153 K 7.23 3.81 0.00 1.90 1.83 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.54 7.81 154 L 7.18 3.86 0.00 1.32 0.13 0.69 0.79 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 0.00 155 F 8.15 4.08 0.00 3.32 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 0.00 156 V 7.06 4.20 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 0.82 0.00 0.00 1.04 0.00 0.00 *158 T 7.96 4.23 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 1.28 0.00 0.00 159 D 8.80 4.53 0.00 2.72 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 0.00 160 E 8.46 4.13 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 161 E 8.29 4.12 0.00 2.50 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 *163 N 8.28 4.63 0.00 3.07 2.95 0.00 0.00 6.62 8.13 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 0.00 164 F 8.10 3.93 0.00 3.12 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 0.00 165 Y 8.34 3.68 0.00 3.17 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 0.00 166 A 7.70 4.10 1.34 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 0.00 167 N 7.81 4.41 0.00 2.62 2.72 0.00 0.00 7.01 7.15 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 0.00 168 L 6.07 3.42 0.00 1.28 0.73 0.16 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 169 K 8.62 4.50 0.00 1.69 1.82 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.31 7.81 170 T 7.52 4.96 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 1.26 0.00 0.00 171 I 8.40 4.29 2.01 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.25 0.98 0.00 0.00 172 E 8.24 3.99 0.00 2.06 2.08 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 2.46 2.35 0.00 173 Q 7.89 4.00 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 174 Y 7.84 4.22 0.00 3.01 3.33 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 0.00 175 N 8.76 4.18 0.00 3.02 2.86 0.00 0.00 7.13 7.67 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 0.00 176 D 8.06 4.33 0.00 2.83 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 0.00 177 Y 8.32 3.96 0.00 3.19 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 0.00 178 V 7.85 3.62 1.65 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 0.39 0.00 0.00 0.60 0.00 0.00 179 R 7.60 3.35 0.00 1.99 1.99 0.00 3.22 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 180 D 8.19 4.30 0.00 2.56 2.68 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 0.00 0.00 0.00 0.00 181 L 8.29 3.90 0.00 1.57 1.49 0.87 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.