NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.0315 8.0549 114.0420 61.2899 32.9673 173.5212 3 R 4.3431 7.9126 118.1946 53.7774 33.5963 173.7498 4 Y 4.1759 8.4003 117.5752 58.3379 39.1179 176.5715 5 S 4.2228 9.0922 120.1251 60.2438 62.8001 173.9187 6 L 4.7275 7.4348 119.6115 52.8204 44.2268 175.3166 7 D 4.6621 8.3016 123.8169 53.1715 41.7029 174.4040 8 P 4.4488 0.0000 0.0000 62.0266 32.1256 176.6819 9 E 4.0436 8.8591 122.3557 58.6861 30.0140 177.0621 10 N 4.3726 7.3877 111.8171 51.6004 39.1029 173.6594 11 P 4.2710 0.0000 0.0000 65.6940 31.9056 178.1983 12 T 3.9970 7.9461 107.7332 64.6828 68.3906 175.7612 13 K 4.1528 8.8209 121.5955 57.3993 32.4468 176.5036 14 S 4.9960 7.6185 113.8372 56.6283 66.5361 173.0319 15 C 4.9060 8.8069 120.8783 57.6866 34.7659 172.9016 16 K 5.2065 8.2808 122.8283 55.2074 35.8805 175.0651 17 S 4.8065 8.7859 114.6746 58.5685 67.8047 174.7044 18 R 5.1564 8.6269 119.3320 55.2275 34.1237 174.5890 19 G 4.3595 8.9772 108.4002 44.7561 0.0000 172.5432 20 S 4.5106 8.1681 116.6462 56.9556 66.6578 173.8537 21 N 4.0638 7.9973 120.4496 54.0717 36.1547 174.6562 22 L 4.0964 8.1356 117.0199 54.6001 42.4783 178.4820 23 R 4.2243 8.0913 122.8770 55.0832 28.8348 175.7537 24 V 4.1908 7.2767 114.2712 58.6603 35.9625 174.5897 25 H 4.2854 8.2577 118.5913 56.0443 29.5686 176.6176 26 F 4.2229 8.8864 127.8057 61.2096 39.3175 177.3958 27 K 3.9451 8.0738 117.7401 59.6289 31.9654 178.9660 28 N 5.4234 8.0377 117.5348 56.3287 38.4168 177.5235 29 T 3.8552 7.4690 117.4871 66.4666 68.4298 177.0258 30 R 3.6912 7.5321 120.3212 59.0011 30.0335 178.9319 31 E 3.7490 7.7032 117.6216 59.6177 29.5229 179.4121 32 T 3.8218 7.9139 116.4990 66.1377 68.5088 176.5300 33 A 3.9302 8.1058 122.9350 55.2717 18.1992 179.4686 34 Q 3.8014 7.9109 116.6348 59.0707 29.1185 178.0962 35 A 3.9640 7.5624 121.2761 55.1067 18.6902 179.4348 36 I 3.6965 7.8159 111.5307 62.2726 37.7762 176.3030 37 K 3.7765 7.1901 121.1482 58.2970 32.2147 176.1821 38 G 3.9277 8.7107 114.6779 45.5723 0.0000 173.5844 39 M 4.3174 7.9136 119.5595 54.5521 33.2856 175.3567 40 H 4.8191 8.3743 117.2191 55.3067 30.9266 176.7995 41 I 3.7368 8.2905 118.3618 64.3767 37.3424 178.5987 42 R 3.8674 7.9253 120.0333 58.9275 29.7867 178.4059 43 K 3.9623 8.0110 118.7568 59.4285 32.2600 178.4386 44 A 4.0820 8.4022 121.4948 55.4995 18.2170 179.7181 45 T 3.8477 8.2610 114.5075 66.7108 68.6141 176.7455 46 K 3.9270 8.1415 121.5334 59.6246 32.0622 178.1868 47 Y 4.0878 8.4108 120.1976 60.7948 38.8486 178.0538 48 L 3.9617 8.5159 120.3601 57.6753 41.7137 179.6627 49 K 4.0008 8.3554 118.7690 59.4290 31.9485 179.1227 50 D 4.2860 7.8236 119.1604 57.1755 40.6047 178.9866 51 V 4.2488 7.5356 120.2116 65.8261 31.3559 178.2272 52 T 3.8919 7.5472 107.9875 64.7683 68.5680 175.8717 53 L 3.9094 7.5794 122.2631 55.9448 42.0938 177.5082 54 Q 3.6611 7.8920 117.7661 55.7469 28.3445 173.7961 55 K 4.0680 8.0330 118.6198 58.8620 32.6456 177.1362 56 Q 4.7545 7.7608 116.5568 54.1777 31.6314 174.2802 57 C 5.2125 8.6692 118.9061 58.7881 30.7509 172.8994 58 V 4.8125 9.1250 121.6834 59.9032 33.0848 173.3535 59 P 5.0410 0.0000 0.0000 63.0718 31.9349 176.7109 60 F 4.3769 9.1929 124.4182 56.2731 38.0504 176.1215 61 R 3.1353 8.0236 121.6300 58.9226 30.3856 178.8255 62 R 3.7642 7.6941 114.8360 58.9012 30.2274 177.6188 63 Y 4.7346 7.5662 119.6527 56.1085 37.1711 175.3730 64 N 5.1748 8.2651 126.7799 51.9601 38.3502 175.3282 65 G 3.7645 8.4350 108.5898 47.4955 0.0000 174.6906 66 G 3.8365 8.8918 112.4062 45.7900 0.0000 173.1832 67 V 3.6807 7.3943 119.8803 61.8658 31.7651 176.2279 68 G 3.9309 8.2861 114.2914 45.6979 0.0000 172.8130 69 R 5.0680 8.3609 119.0709 55.7026 30.3836 175.6349 70 C 4.3866 8.5402 123.8676 58.2788 31.9678 173.9215 71 A 4.3305 8.6795 130.6921 51.3763 16.1945 175.4337 72 Q 4.5245 7.7500 116.3260 54.9598 32.8800 175.8080 73 A 4.0353 8.6338 124.9259 54.7208 18.8652 178.8314 74 K 3.8560 8.1962 114.9120 59.6613 32.1964 177.6027 75 Q 4.2899 7.6623 116.4840 55.6184 28.6278 175.5785 76 W 4.5508 9.2575 123.6050 56.3647 29.9936 177.3178 77 G 4.2261 9.4507 111.2045 45.5455 0.0000 172.5771 78 W 5.2757 7.7792 126.6745 55.9004 34.3883 175.1402 79 T 3.9323 7.3353 120.5308 66.5874 68.5299 174.5948 80 Q 4.7130 7.3860 120.3312 55.4159 30.5687 174.7103 81 G 4.8231 8.1806 108.3216 46.5753 0.0000 172.4170 82 R 4.6012 9.2975 118.4302 54.9860 34.9427 174.1935 83 W 5.2864 7.6476 114.4080 54.3792 27.4874 172.5683 84 P 4.5544 0.0000 0.0000 63.1787 30.3800 178.0763 85 K 4.1207 8.7737 126.2576 59.9719 32.8892 178.9185 86 K 4.1164 8.1503 120.6358 59.4595 32.3506 178.9211 87 S 4.2926 8.2707 113.7492 61.2044 62.9332 176.0777 88 A 4.0942 7.8985 125.0591 55.0405 18.1787 179.3917 89 E 3.9772 8.4837 116.2699 59.6155 29.6140 179.3861 90 F 3.8245 8.4307 118.2648 60.3443 38.9634 177.6389 91 L 4.1584 8.1738 118.6413 57.6759 41.3488 179.5174 92 L 4.0916 8.1227 119.1985 58.0402 41.4337 179.2052 93 H 4.0977 8.2975 116.1728 59.0240 28.5427 177.7030 94 M 4.1012 8.0975 120.3937 58.5633 31.8437 178.8839 95 L 4.0033 8.4133 119.4791 57.5281 41.7116 179.4494 96 K 3.8882 8.4183 120.1026 59.5308 32.0520 178.4162 97 N 4.2860 8.4813 117.2461 56.5682 38.8803 176.7214 98 A 4.5275 8.2405 123.7990 54.6240 18.4997 179.0637 99 E 3.8829 8.8129 118.4136 59.4809 29.7182 179.2371 100 S 4.1241 8.1531 114.2130 61.6574 63.1615 176.1511 101 N 4.3169 8.5039 120.4624 55.7758 38.2614 177.1884 102 A 3.9894 8.3384 122.5902 55.2525 18.5000 179.3636 103 E 4.2130 8.2751 119.1221 58.7775 29.4532 178.8336 104 L 4.0491 7.7361 118.4042 57.9246 41.7635 179.4677 105 K 4.1649 7.7961 117.1948 57.9595 32.0276 178.0836 106 G 4.0820 8.2009 105.7859 45.1051 0.0000 173.7251 107 L 4.2119 7.8635 120.1954 53.7643 42.5598 175.9956 108 D 4.7187 8.3211 120.4742 53.1512 40.3271 176.2029 109 V 3.6666 8.2544 126.6074 66.5016 32.0413 177.9946 110 D 4.4125 8.0356 119.0755 57.1592 40.9919 178.8485 111 S 4.3135 8.2097 112.6991 60.2556 63.6518 174.6759 112 L 4.3245 7.8641 122.2801 54.7045 42.6588 176.6780 113 V 4.1202 8.6544 122.6545 62.4860 33.5767 175.5523 114 I 4.3229 8.4549 127.8688 60.4957 36.1567 176.0390 115 E 4.0166 8.9320 129.0192 58.8659 30.5551 176.5308 116 H 5.0647 8.0380 118.6126 54.5506 33.6440 172.3766 117 I 5.4878 7.9210 118.0796 60.0881 40.2859 173.6479 118 Q 4.5578 8.5971 126.0977 54.6706 32.8486 172.7329 119 V 4.8748 8.2891 122.7532 61.6628 33.6543 174.2024 120 N 4.9687 9.9347 122.5131 55.2914 41.6180 176.3734 *122 A 4.2274 8.2247 118.9270 50.9513 20.5371 173.7938 123 P 5.2646 0.0000 0.0000 61.1232 34.5743 172.7568 124 K 4.7538 8.4097 117.3836 55.6426 35.8222 175.9133 125 M 4.5085 9.4571 125.7394 54.2540 33.8357 175.7898 126 R 4.6887 8.5156 122.1606 56.0502 31.6477 175.6461 127 R 4.7780 8.7409 118.3955 55.6745 33.4336 173.4443 128 R 5.4431 8.4321 114.6087 54.9398 32.5456 174.4265 129 T 4.9084 9.3622 110.5340 60.0516 72.7367 172.4523 130 Y 4.4822 8.8326 120.4326 58.1668 38.8059 174.9365 131 R 4.8606 9.2457 122.1194 54.0123 34.5728 174.5299 132 A 4.2186 8.4375 122.9395 53.1057 19.2185 177.5883 133 H 4.0612 9.2197 112.7213 56.3401 25.9400 175.4597 134 G 3.9263 8.2343 105.6951 47.1591 0.0000 173.8351 135 R 4.8261 7.6713 116.3211 53.9475 34.4542 175.1054 136 I 4.9154 8.1073 119.9340 59.7385 40.6321 174.8373 137 N 5.1325 9.2759 122.6523 50.5905 43.0229 172.1524 138 P 4.7839 0.0000 0.0000 63.0445 32.2518 175.5088 139 Y 4.5588 9.5125 120.8265 56.5806 42.5223 174.1488 140 M 5.4046 8.8199 120.5952 53.5607 36.1636 174.8379 141 S 4.9101 9.1494 115.9403 56.8215 66.1417 174.7476 142 S 4.4830 8.2878 116.7997 57.5709 65.5653 172.5452 *144 C 4.6455 8.2524 115.8430 60.5707 29.7145 172.7097 145 H 5.3412 9.3892 119.7407 54.1361 31.6018 173.2141 146 I 5.1692 8.3811 121.8096 59.2779 41.8803 173.4004 147 E 5.3368 9.0065 126.7054 54.7732 32.7139 174.6722 148 M 5.4397 9.1393 118.8579 53.8142 35.0940 173.8323 149 I 5.0066 9.2381 123.2231 59.5102 40.7484 174.3063 150 L 5.2138 9.1565 127.1699 53.5192 44.1063 175.7907 151 T 5.1730 9.0544 118.5255 61.3544 73.1436 173.3154 152 E 4.3714 8.2882 122.9468 56.0477 30.3324 177.5858 153 K 4.0560 8.6497 121.1203 57.3987 32.4701 176.6302 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 2 V 8.05 4.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.86 0.00 0.00 3 R 7.91 4.34 0.00 1.81 1.82 0.00 3.39 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.66 0.00 4 Y 8.40 4.18 0.00 3.05 3.09 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 5 S 9.09 4.22 0.00 3.97 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 6 L 7.43 4.73 0.00 1.43 1.34 0.89 1.17 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 7 D 8.30 4.66 0.00 2.69 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 8 P 0.00 4.45 0.00 1.97 1.87 0.00 3.63 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.85 0.00 9 E 8.86 4.04 0.00 1.88 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 0.00 2.27 2.35 0.00 10 N 7.39 4.37 0.00 2.90 2.82 0.00 0.00 6.24 7.76 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 11 P 0.00 4.27 0.00 2.03 2.11 0.00 3.65 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 1.99 2.01 0.00 12 T 7.95 4.00 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 13 K 8.82 4.15 0.00 1.91 1.87 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.43 7.81 14 S 7.62 5.00 0.00 3.73 3.67 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 15 C 8.81 4.91 0.00 2.95 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 16 K 8.28 5.21 0.00 1.56 1.67 0.00 1.32 0.00 0.00 1.53 0.00 0.00 2.59 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.06 0.66 7.81 17 S 8.79 4.81 0.00 3.83 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 18 R 8.63 5.16 0.00 1.66 1.75 0.00 2.27 0.00 0.00 2.89 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 19 G 8.98 4.36 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 0.00 20 S 8.17 4.51 0.00 3.67 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.00 4.06 0.00 2.76 2.82 0.00 0.00 7.08 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.14 4.10 0.00 1.47 1.14 1.06 1.11 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 23 R 8.09 4.22 0.00 1.69 1.97 0.00 3.43 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 24 V 7.28 4.19 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 -0.31 0.00 0.00 0.73 0.00 0.00 25 H 8.26 4.29 0.00 3.26 3.28 0.00 5.81 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.89 4.22 0.00 3.07 3.08 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 27 K 8.07 3.95 0.00 1.88 1.96 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.21 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.96 1.42 7.81 28 N 8.04 5.42 0.00 2.83 2.90 0.00 0.00 7.63 7.05 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 29 T 7.47 3.86 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 1.16 0.00 0.00 30 R 7.53 3.69 0.00 1.78 1.80 0.00 3.06 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.45 0.00 31 E 7.70 3.75 0.00 1.87 1.78 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 2.16 1.81 0.00 32 T 7.91 3.82 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 1.28 0.00 0.00 33 A 8.11 3.93 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 34 Q 7.91 3.80 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 35 A 7.56 3.96 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 36 I 7.82 3.70 1.85 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 1.57 1.08 0.92 0.00 0.00 37 K 7.19 3.78 0.00 1.80 1.85 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.38 7.81 38 G 8.71 3.93 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 0.00 0.00 0.00 39 M 7.91 4.32 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 40 H 8.37 4.82 0.00 3.22 3.40 0.00 5.82 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.29 3.74 1.89 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 1.48 1.22 0.93 0.00 0.00 42 R 7.93 3.87 0.00 1.92 1.98 0.00 3.10 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 43 K 8.01 3.96 0.00 1.96 2.05 0.00 1.70 0.00 0.00 1.86 0.00 0.00 3.16 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.61 7.81 44 A 8.40 4.08 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.26 3.85 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 46 K 8.14 3.93 0.00 1.85 2.02 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.26 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.63 7.81 47 Y 8.41 4.09 0.00 3.13 3.20 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 0.00 48 L 8.52 3.96 0.00 1.87 1.74 1.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.36 4.00 0.00 1.93 1.83 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.61 7.81 50 D 7.82 4.29 0.00 2.68 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 51 V 7.54 4.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.54 0.00 0.00 52 T 7.55 3.89 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 1.30 0.00 0.00 53 L 7.58 3.91 0.00 1.83 1.85 0.88 0.54 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 54 Q 7.89 3.66 0.00 1.63 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 1.77 1.16 0.00 55 K 8.03 4.07 0.00 1.71 1.77 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.54 7.81 56 Q 7.76 4.75 0.00 1.84 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.62 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 57 C 8.67 5.21 0.00 3.28 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 58 V 9.13 4.81 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 1.18 0.00 0.00 1.14 0.00 0.00 59 P 0.00 5.04 0.00 1.95 2.14 0.00 3.79 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.33 0.00 60 F 9.19 4.38 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 61 R 8.02 3.14 0.00 1.27 0.99 0.00 2.78 0.00 0.00 2.77 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.91 0.00 62 R 7.69 3.76 0.00 1.43 1.25 0.00 3.12 0.00 0.00 3.05 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.37 0.00 63 Y 7.57 4.73 0.00 3.17 2.98 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 0.00 0.00 0.00 64 N 8.27 5.17 0.00 3.03 3.63 0.00 0.00 6.03 7.08 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 65 G 8.43 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 0.00 0.00 0.00 66 G 8.89 3.84 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 0.00 0.00 0.00 67 V 7.39 3.68 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 0.53 0.00 0.00 0.79 0.00 0.00 68 G 8.29 3.93 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 0.00 0.00 0.00 69 R 8.36 5.07 0.00 1.79 1.91 0.00 2.77 0.00 0.00 3.79 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.39 0.00 70 C 8.54 4.39 0.00 3.12 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 71 A 8.68 4.33 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 72 Q 7.75 4.52 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 73 A 8.63 4.04 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.20 3.86 0.00 1.80 2.03 0.00 1.60 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.51 1.59 7.81 75 Q 7.66 4.29 0.00 2.26 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.70 0.00 0.00 0.00 0.00 0.00 2.77 2.61 0.00 76 W 9.26 4.55 0.00 3.37 3.21 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 77 G 9.45 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 W 7.78 5.28 0.00 3.38 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 79 T 7.34 3.93 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 1.08 0.00 0.00 80 Q 7.39 4.71 0.00 2.52 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 81 G 8.18 4.82 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 82 R 9.30 4.60 0.00 1.21 1.36 0.00 2.50 0.00 0.00 2.73 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.94 0.00 83 W 7.65 5.29 0.00 3.38 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 84 P 0.00 4.55 0.00 2.35 2.77 0.00 4.04 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.35 0.00 85 K 8.77 4.12 0.00 2.11 2.27 0.00 1.60 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.67 1.63 7.81 86 K 8.15 4.12 0.00 2.03 1.97 0.00 2.06 0.00 0.00 2.06 0.00 0.00 3.18 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.61 1.86 7.81 87 S 8.27 4.29 0.00 4.13 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 0.00 88 A 7.90 4.09 1.52 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 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.48 3.98 0.00 2.19 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 2.60 1.96 0.00 90 F 8.43 3.82 0.00 3.36 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.17 4.16 0.00 1.98 1.79 1.06 0.72 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 92 L 8.12 4.09 0.00 1.85 1.69 0.94 1.05 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 93 H 8.30 4.10 0.00 3.43 3.35 0.00 5.82 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 94 M 8.10 4.10 0.00 2.10 2.33 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 3.13 0.00 95 L 8.41 4.00 0.00 1.81 1.74 0.96 0.80 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 96 K 8.42 3.89 0.00 1.87 2.01 0.00 1.57 0.00 0.00 1.51 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81 97 N 8.48 4.29 0.00 2.99 2.92 0.00 0.00 7.14 8.69 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 98 A 8.24 4.53 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.81 3.88 0.00 2.01 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 0.00 2.31 2.33 0.00 100 S 8.15 4.12 0.00 4.09 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 N 8.50 4.32 0.00 2.92 2.92 0.00 0.00 6.95 8.86 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 0.00 102 A 8.34 3.99 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 0.00 103 E 8.28 4.21 0.00 2.06 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 2.30 2.21 0.00 104 L 7.74 4.05 0.00 1.82 1.73 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 105 K 7.80 4.16 0.00 1.97 1.87 0.00 1.54 0.00 0.00 1.83 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.49 7.81 106 G 8.20 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 0.00 0.00 0.00 0.00 107 L 7.86 4.21 0.00 1.94 1.59 0.91 0.94 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 0.00 108 D 8.32 4.72 0.00 2.61 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.25 3.67 2.09 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 0.93 0.00 0.00 0.99 0.00 0.00 110 D 8.04 4.41 0.00 2.83 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 S 8.21 4.31 0.00 4.01 4.10 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 0.00 112 L 7.86 4.32 0.00 1.72 1.73 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.65 4.12 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 0.92 0.00 0.00 0.84 0.00 0.00 114 I 8.45 4.32 1.92 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 1.33 0.92 0.90 0.00 0.00 115 E 8.93 4.02 0.00 1.97 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 2.31 2.30 0.00 116 H 8.04 5.06 0.00 3.25 3.11 0.00 5.92 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 7.92 5.49 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.48 0.91 0.00 0.00 118 Q 8.60 4.56 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.90 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 119 V 8.29 4.87 1.81 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 0.85 0.00 0.00 0.86 0.00 0.00 120 N 9.93 4.97 0.00 2.63 2.76 0.00 0.00 6.69 8.24 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 *122 A 8.22 4.23 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 P 0.00 5.26 0.00 2.02 2.04 0.00 3.69 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.94 0.00 124 K 8.41 4.75 0.00 1.57 1.68 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.42 7.81 125 M 9.46 4.51 0.00 1.90 1.97 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.65 0.00 126 R 8.52 4.69 0.00 1.69 1.84 0.00 3.23 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 127 R 8.74 4.78 0.00 1.90 2.05 0.00 2.79 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 128 R 8.43 5.44 0.00 1.87 1.88 0.00 2.96 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 129 T 9.36 4.91 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 130 Y 8.83 4.48 0.00 2.86 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 0.00 131 R 9.25 4.86 0.00 1.74 1.87 0.00 3.29 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.82 0.00 132 A 8.44 4.22 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 0.00 133 H 9.22 4.06 0.00 3.34 3.45 0.00 5.82 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 0.00 134 G 8.23 3.93 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 0.00 0.00 0.00 135 R 7.67 4.83 0.00 1.76 1.80 0.00 3.05 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 136 I 8.11 4.92 1.66 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.20 0.71 0.00 0.00 137 N 9.28 5.13 0.00 2.94 2.45 0.00 0.00 6.82 7.83 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 0.00 138 P 0.00 4.78 0.00 1.75 1.88 0.00 3.48 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.04 0.00 139 Y 9.51 4.56 0.00 2.90 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 0.00 140 M 8.82 5.40 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 141 S 9.15 4.91 0.00 3.81 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 S 8.29 4.48 0.00 3.97 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 *144 C 8.25 4.65 0.00 2.97 3.09 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 0.00 145 H 9.39 5.34 0.00 3.05 3.18 0.00 5.75 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 0.00 146 I 8.38 5.17 1.91 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 1.43 1.76 0.96 0.00 0.00 147 E 9.01 5.34 0.00 2.21 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 0.00 2.36 2.32 0.00 148 M 9.14 5.44 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.70 0.00 149 I 9.24 5.01 1.92 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 1.18 0.82 0.93 0.00 0.00 150 L 9.16 5.21 0.00 1.53 1.55 0.93 0.49 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 0.00 151 T 9.05 5.17 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 1.19 0.00 0.00 152 E 8.29 4.37 0.00 1.87 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 153 K 8.65 4.06 0.00 1.86 1.82 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.