NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.2731 8.3144 121.8024 55.3792 34.6212 174.9464 6 L 3.6912 7.9322 121.2703 55.1784 43.0192 174.7324 7 R 4.4535 10.0073 128.7888 55.1794 31.7057 174.1814 8 I 4.9724 8.2612 127.7421 59.7747 39.1286 175.0598 9 E 4.6632 9.0008 123.4590 54.2628 33.2337 174.3626 10 L 3.5477 8.3714 122.7881 55.5990 42.7398 176.3070 11 G 4.3469 8.0662 109.4468 44.6889 0.0000 172.4099 12 E 4.6724 8.8390 116.2191 55.0786 32.0699 174.8436 13 E 4.5611 8.2031 119.3830 54.6318 31.0650 175.0426 14 T 4.4235 8.4355 114.9312 60.0900 70.4479 173.7127 15 N 5.2440 8.2969 121.3115 49.9621 41.1862 174.5738 16 D 4.4770 8.9744 118.3256 58.0315 40.5055 179.0947 17 E 3.9683 8.0992 118.2656 59.0172 29.9272 178.3740 18 L 4.1493 8.3093 120.5376 58.2691 42.2058 178.3593 19 Y 4.0161 8.1093 116.0962 61.0901 37.5034 178.2177 20 D 4.4442 7.9601 119.1371 57.3274 41.1456 178.6974 21 L 4.1867 7.9392 119.1008 57.9898 41.8744 179.3871 22 L 4.1197 8.0196 118.3131 57.8832 41.3340 179.0596 23 L 4.9415 8.0789 118.4847 55.9000 41.7813 178.8153 24 L 4.1887 8.1357 119.4429 57.4053 41.5905 178.7062 25 A 4.5042 7.9723 119.4207 53.1531 19.4872 176.9232 26 D 4.8695 7.9213 122.3319 51.8435 41.7969 175.1534 27 P 4.2030 0.0000 0.0000 65.6187 31.8204 177.3193 28 S 4.1711 8.2380 114.6406 58.4232 62.5380 174.1273 29 K 4.0718 8.6265 131.3189 59.4422 32.0045 177.8038 30 D 4.3283 8.0974 118.9118 57.5898 40.7174 178.4528 31 I 3.7456 7.6827 119.7736 64.4294 37.0626 178.6555 32 V 2.5530 7.6097 118.4815 65.9616 31.4557 177.7277 33 D 4.2763 7.9701 118.4252 57.5528 40.6110 178.0552 34 E 3.8925 7.9088 119.4306 59.8066 29.6406 178.3833 35 Y 4.3674 7.8345 117.3587 59.1999 38.1443 177.4610 36 L 3.9580 7.5404 122.5905 57.6803 42.1290 177.8922 37 E 4.1588 7.7309 118.2029 58.6678 30.0124 177.6124 38 R 3.9597 8.0675 118.2536 58.1225 30.3678 175.9583 39 G 4.2791 7.8616 103.8801 44.5324 0.0000 172.0847 40 E 4.6413 9.0837 121.2162 54.8025 31.4809 174.0018 41 C 5.0718 8.5797 127.3802 58.0278 33.8325 171.6308 42 Y 4.8638 8.7247 124.3689 56.2165 40.6160 174.7881 43 T 4.9691 8.8412 112.8373 59.7814 72.3448 172.4759 44 A 5.1580 9.0067 125.9716 50.0856 21.6181 175.2479 45 W 5.2261 9.5039 122.8139 54.7832 32.3871 175.2157 46 A 4.2180 8.7225 125.0809 50.0244 17.2707 175.7112 47 G 4.0446 9.3324 113.7817 43.7840 0.0000 171.7452 48 D 4.7575 9.0098 121.3267 53.3569 43.9187 175.3226 49 E 4.0946 7.7592 120.8179 54.5472 30.6582 175.0031 50 L 3.9144 8.0616 127.1820 54.4364 41.0334 176.2507 51 A 4.0082 8.2378 128.9994 53.9873 18.7838 178.4019 52 G 4.5285 8.4928 100.0593 46.0782 0.0000 170.6933 53 V 5.1837 8.7351 117.6731 61.4684 34.9123 172.2553 54 Y 5.3298 8.3909 117.7142 56.2309 41.1466 173.2899 55 V 4.8239 9.0534 121.9651 61.2452 34.7976 174.1683 56 L 5.0608 9.5144 128.0017 53.2826 43.5556 175.0250 57 L 4.9683 8.8413 126.9337 53.1828 44.8174 175.1393 58 K 4.7180 8.6301 124.7390 56.4387 33.2191 174.7380 59 T 4.1606 8.5993 115.0715 61.8614 67.5952 178.0155 60 R 4.1836 8.9533 118.9356 54.6175 31.3623 173.8250 61 P 4.3677 0.0000 0.0000 64.4838 31.7650 176.5776 62 Q 3.5229 8.9119 118.3958 56.7509 27.0454 172.5945 63 T 5.2433 8.0416 115.4356 61.6138 71.5637 173.5293 64 V 4.8809 8.7588 124.9445 59.8598 34.9900 174.1442 65 E 5.0380 9.2581 122.9743 54.7379 33.7431 174.9358 66 I 4.6339 8.2302 126.6960 59.4256 35.9819 176.7438 67 V 3.6557 8.0729 118.6696 63.0169 32.1705 175.4499 68 N 4.6007 7.7914 115.6579 52.8240 42.9124 173.0590 69 I 5.1854 8.4509 124.5729 60.1375 41.2634 173.2012 70 A 4.8006 9.1762 129.1982 51.2394 23.1682 175.1190 71 V 4.6775 8.1736 118.2274 60.6104 35.1258 174.8754 72 K 3.7749 9.0218 128.6305 57.3816 32.5019 176.7527 73 E 4.1352 9.4281 127.3275 59.9463 29.4983 179.1091 74 S 4.5627 8.0552 108.2611 59.2680 62.8615 174.1826 75 L 4.8766 8.4172 118.7601 54.2375 43.8983 176.5067 76 Q 4.3427 7.6775 117.3214 56.6048 29.4648 176.2480 77 K 3.9829 8.7148 115.0727 56.8633 29.1166 177.1305 78 K 4.1258 7.8223 116.2545 55.9360 32.3413 176.9362 79 G 3.9423 7.9000 107.8075 45.2216 0.0000 175.5840 80 F 4.6956 7.7100 119.2853 60.0098 38.9129 177.4466 81 G 3.7111 8.2194 105.3783 47.8648 0.0000 175.1588 82 K 3.8987 8.1215 122.2523 59.1843 32.1555 178.5218 83 Q 4.0350 7.8657 117.2124 58.9742 28.5706 178.9975 84 L 3.9707 8.0471 119.8497 57.7173 41.7108 179.5313 85 V 3.4701 7.6316 118.0351 66.2448 31.6481 178.1590 86 L 4.0205 8.1967 118.5894 57.4973 41.3363 179.1449 87 D 4.3187 7.9935 118.1220 57.1436 41.2790 178.1165 88 A 3.8014 8.1258 123.0041 54.4588 18.3084 179.6908 89 I 3.6753 7.6427 118.4876 64.3204 37.0951 178.4486 90 E 4.0011 7.6211 118.7541 59.1463 29.1976 179.3246 91 K 3.9626 8.1552 118.4030 59.3614 31.5380 179.2923 92 A 4.0135 8.0780 121.0942 54.7352 18.1823 179.9480 93 K 3.9121 7.8001 116.8352 59.7055 32.0806 179.7294 94 K 4.1512 7.7572 116.6501 58.4650 32.0100 178.0658 95 L 4.3538 7.3831 119.2806 54.5864 42.1859 177.0295 96 G 3.8537 8.5102 105.4108 46.4471 0.0000 174.0943 97 A 4.1950 7.4312 121.4011 52.2891 19.2144 177.7178 98 D 4.7254 9.3158 120.5621 56.1547 42.8322 177.0917 99 T 5.1041 7.7430 113.3729 61.6423 73.2477 172.8808 100 I 5.0987 8.6809 125.2462 59.3951 41.1722 174.0764 101 E 5.5454 8.9715 127.3365 54.3643 34.1285 174.4102 102 I 4.1198 7.6654 118.4418 60.8633 41.8816 172.8267 103 G 4.8029 8.4501 114.8484 44.8623 0.0000 171.2395 104 T 4.8768 8.2284 111.1008 59.4863 72.7170 173.3038 105 G 3.5289 8.5160 108.3026 45.7271 0.0000 174.7762 106 N 4.4392 8.6067 121.1204 55.2962 37.2749 176.5493 107 S 4.1991 7.6545 112.3974 60.7288 64.2360 175.9819 108 S 4.4606 7.9834 119.5680 57.8019 58.1575 174.4107 109 I 3.6380 7.5248 125.5889 64.5684 37.4914 177.3654 110 H 4.1350 8.1630 118.3061 59.5681 29.6552 177.0568 111 Q 3.2577 7.7896 119.0057 58.7330 28.0987 178.3864 112 L 3.9029 7.7561 119.9003 57.9239 41.4788 179.7637 113 S 3.9193 7.5036 112.7580 61.2355 62.2645 175.3083 114 L 3.7613 7.2939 121.4516 58.8389 41.9149 178.1335 115 Y 4.6121 7.5050 115.9613 61.5763 37.8121 179.0831 116 Q 4.9378 7.7024 119.7245 58.5491 28.5932 178.9771 117 K 4.0436 8.1918 118.6323 58.7233 32.0039 178.0286 118 C 4.6364 7.8773 115.6743 59.5401 28.4670 174.3962 119 G 3.9243 8.2837 111.2120 45.3333 0.0000 175.0186 120 F 4.2555 8.1087 118.5176 57.6140 39.7287 174.0624 121 R 5.0166 8.4438 122.4432 54.1878 33.7992 175.0193 122 I 3.9263 8.4586 123.4559 61.8704 37.2891 174.9820 123 Q 4.3790 9.8147 130.3909 57.2227 29.0239 175.9299 124 A 4.7295 7.4961 117.3015 51.0703 23.6027 173.4910 125 I 4.5273 8.2025 118.5675 59.8811 40.2544 176.3903 126 D 4.7601 8.5060 126.4990 52.5185 40.7047 174.7193 127 H 4.5602 8.5541 120.2859 56.9709 29.5761 175.3356 128 D 4.4487 9.3714 120.5103 54.8807 39.1060 175.3055 129 F 3.6590 7.5446 119.4787 62.5155 39.3406 176.9228 130 F 4.2919 9.1293 117.4465 60.0185 38.7405 177.7338 131 L 4.2437 8.2160 119.2227 56.9689 41.6109 178.4841 132 R 4.3529 7.8320 113.5725 57.0068 30.3185 176.5321 133 H 4.7044 7.7860 114.9247 55.6683 29.2319 174.0585 134 Y 4.6227 7.4191 115.4433 56.2513 41.9276 174.9534 135 D 4.4447 8.9334 121.8059 56.8961 41.6883 176.7053 136 E 4.4801 7.9983 116.3558 55.3412 31.0710 174.7373 137 D 4.8232 8.4767 119.7720 53.4725 41.8215 176.8283 138 I 4.2914 8.1859 124.9040 60.8540 38.7058 175.0691 139 F 5.0753 8.4208 123.4127 56.0619 43.3140 174.0069 140 E 4.5388 9.4864 118.9198 56.7599 32.9887 175.3930 141 N 3.9571 9.7234 123.3632 54.5211 36.0472 174.4850 142 G 4.0319 8.5528 102.1768 46.4661 0.0000 174.1443 143 I 4.5109 7.5616 119.2666 58.9756 40.3084 175.2317 144 Q 3.6339 8.3853 125.4157 54.5308 27.6743 174.5661 145 C 4.0945 7.7631 125.6790 59.4338 30.8575 173.5557 146 R 4.8257 8.3308 120.5776 56.0230 32.0489 173.4830 147 D 5.1882 8.1808 120.9229 54.0039 45.2886 175.9460 *149 V 4.0011 8.3303 124.3834 63.8455 33.1397 174.6224 150 R 4.6393 8.7482 129.3275 55.2392 31.3904 175.1270 151 L 5.5962 8.7074 125.9085 53.3993 45.9559 174.7932 152 Y 5.5554 8.9456 118.3121 56.4148 42.5940 173.5151 153 L 3.8279 8.2144 115.9372 54.2347 45.4148 173.5104 154 D 4.8469 8.6780 127.0711 54.2862 41.6981 177.0533 155 L 4.5801 8.3431 122.9255 51.5052 40.7040 176.5628 156 L 3.9890 7.5691 123.2844 55.5440 41.9333 174.0573 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 5 K 8.31 4.27 0.00 1.84 1.97 0.00 2.08 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.52 7.81 6 L 7.93 3.69 0.00 1.86 1.65 0.07 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 7 R 10.01 4.45 0.00 1.91 1.90 0.00 3.09 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 8 I 8.26 4.97 1.94 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.78 1.11 0.00 0.00 9 E 9.00 4.66 0.00 1.68 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 0.00 1.47 1.60 0.00 10 L 8.37 3.55 0.00 1.29 1.37 0.27 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.07 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.84 4.67 0.00 1.97 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 2.12 2.30 0.00 13 E 8.20 4.56 0.00 1.98 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 2.21 2.22 0.00 14 T 8.44 4.42 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 1.08 0.00 0.00 15 N 8.30 5.24 0.00 2.94 2.95 0.00 0.00 6.24 8.07 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 16 D 8.97 4.48 0.00 2.73 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 17 E 8.10 3.97 0.00 1.97 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 0.00 2.29 2.29 0.00 18 L 8.31 4.15 0.00 1.80 1.59 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 8.11 4.02 0.00 3.13 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 20 D 7.96 4.44 0.00 2.94 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 21 L 7.94 4.19 0.00 1.99 1.77 1.02 0.62 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 22 L 8.02 4.12 0.00 1.69 1.77 0.64 0.69 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 23 L 8.08 4.94 0.00 1.88 1.81 1.22 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.14 4.19 0.00 1.82 1.79 0.98 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.97 4.50 1.41 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 0.00 0.00 0.00 26 D 7.92 4.87 0.00 2.91 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 27 P 0.00 4.20 0.00 2.25 2.22 0.00 3.96 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 28 S 8.24 4.17 0.00 3.91 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 29 K 8.63 4.07 0.00 1.89 1.79 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.13 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.70 1.65 7.81 30 D 8.10 4.33 0.00 2.72 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 31 I 7.68 3.75 1.98 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 1.44 0.80 1.15 0.00 0.00 32 V 7.61 2.55 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.08 0.00 0.00 33 D 7.97 4.28 0.00 2.88 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 34 E 7.91 3.89 0.00 2.02 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 2.33 2.51 0.00 35 Y 7.83 4.37 0.00 3.19 3.23 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 36 L 7.54 3.96 0.00 1.53 1.74 0.83 0.70 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 37 E 7.73 4.16 0.00 2.00 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 2.29 2.45 0.00 38 R 8.07 3.96 0.00 1.88 2.02 0.00 3.32 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 39 G 7.86 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 0.00 0.00 0.00 0.00 40 E 9.08 4.64 0.00 2.23 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 0.00 2.37 2.20 0.00 41 C 8.58 5.07 0.00 3.02 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 42 Y 8.72 4.86 0.00 1.57 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.84 4.97 4.55 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 1.30 0.00 0.00 44 A 9.01 5.16 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 45 W 9.50 5.23 0.00 3.14 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 46 A 8.72 4.22 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 47 G 9.33 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 0.00 0.00 0.00 0.00 48 D 9.01 4.76 0.00 2.57 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 49 E 7.76 4.09 0.00 1.94 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 0.00 2.27 2.22 0.00 50 L 8.06 3.91 0.00 1.36 1.59 1.14 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.24 4.01 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.49 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.74 5.18 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 0.74 0.00 0.00 0.99 0.00 0.00 54 Y 8.39 5.33 0.00 3.17 3.10 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 0.00 0.00 0.00 55 V 9.05 4.82 2.23 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 1.20 0.00 0.00 1.13 0.00 0.00 56 L 9.51 5.06 0.00 1.74 1.67 0.93 0.65 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 57 L 8.84 4.97 0.00 1.75 1.46 1.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.63 4.72 0.00 1.70 1.75 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.46 7.81 59 T 8.60 4.16 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 60 R 8.95 4.18 0.00 1.90 1.91 0.00 3.14 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 61 P 0.00 4.37 0.00 2.04 2.00 0.00 3.83 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 62 Q 8.91 3.52 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 63 T 8.04 5.24 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 64 V 8.76 4.88 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 0.90 0.00 0.00 1.03 0.00 0.00 65 E 9.26 5.04 0.00 1.96 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 0.00 2.17 2.33 0.00 66 I 8.23 4.63 1.65 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 1.17 1.29 0.85 0.00 0.00 67 V 8.07 3.66 1.17 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 0.43 0.00 0.00 0.57 0.00 0.00 68 N 7.79 4.60 0.00 2.93 2.74 0.00 0.00 6.45 7.60 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 69 I 8.45 5.19 1.91 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 1.38 0.92 0.96 0.00 0.00 70 A 9.18 4.80 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.17 4.68 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 1.01 0.00 0.00 1.08 0.00 0.00 72 K 9.02 3.77 0.00 2.09 1.76 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.49 7.81 73 E 9.43 4.14 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 74 S 8.06 4.56 0.00 4.01 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 75 L 8.42 4.88 0.00 1.82 2.01 0.91 1.01 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 76 Q 7.68 4.34 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.00 0.00 0.00 0.00 0.00 0.00 2.64 2.36 0.00 77 K 8.71 3.98 0.00 1.94 2.00 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.67 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.36 7.81 78 K 7.82 4.13 0.00 1.26 1.15 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.23 1.33 7.81 79 G 7.90 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 7.71 4.70 0.00 3.17 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 81 G 8.22 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 82 K 8.12 3.90 0.00 1.84 1.85 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.57 7.81 83 Q 7.87 4.03 0.00 2.47 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.45 2.75 0.00 84 L 8.05 3.97 0.00 1.88 1.72 1.09 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.63 3.47 2.29 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 1.22 0.00 0.00 1.09 0.00 0.00 86 L 8.20 4.02 0.00 1.71 1.69 0.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 87 D 7.99 4.32 0.00 2.97 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 88 A 8.13 3.80 0.77 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 0.00 0.00 89 I 7.64 3.68 1.96 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.33 0.78 0.00 0.00 90 E 7.62 4.00 0.00 2.19 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 2.53 2.47 0.00 91 K 8.16 3.96 0.00 1.62 1.70 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.54 1.02 7.81 92 A 8.08 4.01 1.38 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 0.00 0.00 93 K 7.80 3.91 0.00 2.01 1.84 0.00 1.82 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.69 7.81 94 K 7.76 4.15 0.00 1.77 1.89 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.61 7.81 95 L 7.38 4.35 0.00 1.83 1.76 0.98 1.09 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 96 G 8.51 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 97 A 7.43 4.19 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 98 D 9.32 4.73 0.00 2.61 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 99 T 7.74 5.10 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 1.49 0.00 0.00 100 I 8.68 5.10 1.86 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.71 0.81 0.00 0.00 101 E 8.97 5.55 0.00 1.92 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 0.00 2.34 2.30 0.00 102 I 7.67 4.12 1.32 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.68 -0.43 0.00 0.00 103 G 8.45 4.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 T 8.23 4.88 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 1.47 0.00 0.00 105 G 8.52 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 0.00 106 N 8.61 4.44 0.00 2.77 2.91 0.00 0.00 6.98 7.16 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 0.00 107 S 7.65 4.20 0.00 4.08 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 0.00 108 S 7.98 4.46 0.00 3.90 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 7.52 3.64 1.84 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 1.37 0.91 0.88 0.00 0.00 110 H 8.16 4.14 0.00 3.12 3.23 0.00 5.69 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 0.00 111 Q 7.79 3.26 0.00 1.88 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.58 0.00 0.00 0.00 0.00 0.00 2.18 2.30 0.00 112 L 7.76 3.90 0.00 1.87 1.70 0.93 0.59 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 0.00 113 S 7.50 3.92 0.00 3.81 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 0.00 114 L 7.29 3.76 0.00 1.29 1.24 0.87 0.66 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 0.00 115 Y 7.50 4.61 0.00 2.94 2.60 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 0.00 116 Q 7.70 4.94 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.61 2.61 0.00 117 K 8.19 4.04 0.00 1.97 1.88 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.53 7.81 118 C 7.88 4.64 0.00 3.31 3.01 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 0.00 119 G 8.28 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 0.00 120 F 8.11 4.26 0.00 3.27 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 0.00 121 R 8.44 5.02 0.00 1.48 1.79 0.00 2.97 0.00 0.00 2.95 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.36 0.00 122 I 8.46 3.93 1.93 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 1.28 0.53 0.95 0.00 0.00 123 Q 9.81 4.38 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.63 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 124 A 7.50 4.73 1.21 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 0.00 125 I 8.20 4.53 1.67 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 1.21 0.97 0.78 0.00 0.00 126 D 8.51 4.76 0.00 2.76 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 0.00 127 H 8.55 4.56 0.00 3.20 3.29 0.00 6.10 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.37 4.45 0.00 2.95 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 0.00 129 F 7.54 3.66 0.00 3.34 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 F 9.13 4.29 0.00 3.11 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 8.22 4.24 0.00 1.88 1.76 1.01 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 132 R 7.83 4.35 0.00 1.89 1.99 0.00 2.80 0.00 0.00 3.13 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.26 0.00 133 H 7.79 4.70 0.00 2.75 3.08 0.00 5.60 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 Y 7.42 4.62 0.00 3.29 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 0.00 135 D 8.93 4.44 0.00 2.63 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 0.00 136 E 8.00 4.48 0.00 2.12 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 2.35 2.34 0.00 137 D 8.48 4.82 0.00 2.79 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 0.00 138 I 8.19 4.29 1.84 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 1.24 1.12 0.79 0.00 0.00 139 F 8.42 5.08 0.00 2.86 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 0.00 140 E 9.49 4.54 0.00 1.93 1.68 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 2.14 2.22 0.00 141 N 9.72 3.96 0.00 2.90 2.87 0.00 0.00 7.07 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 0.00 142 G 8.55 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 0.00 143 I 7.56 4.51 1.96 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 1.18 1.10 0.85 0.00 0.00 144 Q 8.39 3.63 0.00 1.90 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.09 0.00 0.00 0.00 0.00 0.00 1.16 2.19 0.00 145 C 7.76 4.09 0.00 2.63 2.60 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 0.00 146 R 8.33 4.83 0.00 2.00 1.98 0.00 2.94 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 147 D 8.18 5.19 0.00 2.71 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 *149 V 8.33 4.00 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 0.95 0.00 0.00 0.90 0.00 0.00 150 R 8.75 4.64 0.00 2.11 1.78 0.00 3.05 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 151 L 8.71 5.60 0.00 1.73 1.76 1.03 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 152 Y 8.95 5.56 0.00 3.10 3.01 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 0.00 153 L 8.21 3.83 0.00 0.87 0.75 0.62 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 154 D 8.68 4.85 0.00 2.58 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 0.00 155 L 8.34 4.58 0.00 1.41 1.54 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 156 L 7.57 3.99 0.00 1.50 1.44 0.91 0.94 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 * Residues marked with a * may have inaccurate shift predictions.