NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 32 E 4.5547 8.2500 120.8660 56.3187 31.6777 177.7557 33 L 3.9341 7.7206 119.7339 56.1118 41.9032 177.2965 34 S 4.1837 8.9016 115.4498 61.3750 63.4700 175.8384 35 Q 3.9664 8.0573 121.2309 58.7143 28.5102 178.2004 36 E 4.0385 7.8547 118.9511 59.4623 29.6456 179.1404 37 R 4.0716 8.1180 118.0086 59.2204 30.1308 179.1265 38 T 3.9057 8.2955 115.9339 66.5771 68.3518 176.6018 39 A 4.0627 8.2238 122.7461 54.8969 18.3584 179.6561 40 R 3.8652 8.0364 117.4846 59.6834 30.1632 178.8185 41 L 4.0874 7.8990 118.4655 57.8222 41.5868 179.2418 42 N 4.3613 8.0951 116.1616 56.1697 38.4508 177.0211 43 E 3.9476 8.5186 121.0539 59.2206 29.6917 178.6184 44 L 4.0010 8.1019 120.3399 58.3505 42.0529 179.0350 45 Q 4.0317 8.1715 118.0372 58.9061 28.7192 178.7697 46 R 3.9177 8.2200 118.9759 59.1361 30.0990 178.9991 47 A 4.0555 8.0348 120.3978 55.2646 18.4022 179.6813 48 L 3.9929 8.2966 117.9593 58.0888 41.8401 180.0721 49 V 3.6927 8.2117 118.3828 66.0446 31.2933 178.0800 50 M 4.1523 8.0622 118.2943 58.6766 31.7456 178.5987 51 M 4.4892 8.3088 120.2154 57.9056 32.0800 178.5044 52 D 4.5557 8.6728 119.5466 57.7039 40.8697 179.0717 53 S 4.4527 8.0015 113.5852 60.7753 63.0282 175.8000 54 D 4.7180 7.6464 120.3112 56.6396 41.1165 178.9100 55 F 3.8203 8.2101 116.9277 59.9112 38.9713 177.1320 56 R 4.2957 7.8317 118.6896 57.8911 30.3370 176.7842 57 Q 4.9063 7.7244 117.7796 55.3440 29.7577 175.8066 58 I 4.3826 7.9867 120.1685 61.5058 37.6401 176.2252 59 A 4.2797 8.6683 129.8449 50.9634 19.3903 178.0561 60 L 4.3244 8.2172 124.2287 53.4667 40.6745 175.5932 61 R 4.6209 7.3840 119.0533 54.2432 33.6469 174.2309 62 Q 4.3698 8.7338 124.6363 55.9921 29.7484 175.4248 63 T 4.6474 8.6695 112.7778 59.9930 72.0399 172.9719 64 R 4.9264 8.2613 122.2119 54.8379 32.5370 174.9070 65 T 4.1886 8.5382 121.3780 60.1592 68.0452 174.2071 66 N 4.8497 8.5331 131.1098 53.5611 40.7145 175.6468 67 G 3.6203 8.2450 106.1623 45.4653 0.0000 175.6568 68 E 4.7012 8.7348 116.8843 55.0808 32.4683 173.2813 *71 S 4.5912 7.1370 121.6534 57.9319 66.8197 176.3880 72 K 4.9484 8.7494 121.5347 54.7146 34.2390 173.9203 73 K 4.6607 8.8052 125.8294 54.9937 36.8103 177.9843 74 L 4.0090 8.7239 120.4115 57.3007 41.9269 177.4641 75 L 4.9413 7.8691 117.4067 53.2746 44.1397 175.4573 76 H 4.9338 9.5389 122.3716 54.3720 30.7172 174.6671 77 W 5.7376 8.7637 133.1750 57.2549 32.9789 172.9695 78 A 4.1832 8.0216 127.5805 50.7599 22.8593 174.7014 79 D 4.0550 8.1536 119.0082 55.1309 41.8837 177.0328 80 Y 4.3190 8.1927 118.4429 58.1294 36.4241 169.8560 81 L 4.1194 7.2944 122.2694 56.1099 42.5933 176.9354 82 L 3.9831 9.1807 123.3683 55.7799 39.1302 173.6798 83 D 4.4470 8.4212 113.9095 55.1896 39.6757 173.6044 84 S 4.5605 7.7892 110.4779 57.7799 63.1379 174.5859 85 D 4.7036 9.2094 126.6153 56.7557 42.3845 176.6187 86 N 5.0322 7.7209 112.5886 52.7924 38.8396 178.2704 87 K 4.1094 8.2005 113.1603 55.9925 32.9898 175.5427 88 G 4.3808 8.4555 109.1449 44.6141 0.0000 171.3076 89 I 5.6698 9.1467 123.1161 59.6189 41.9288 173.8050 90 M 5.3970 9.3602 126.6069 54.5475 36.1953 173.3984 91 F 5.2204 8.7685 119.3845 55.9766 42.1884 172.6965 92 A 4.7466 8.6835 120.8794 51.5800 20.0931 176.4268 93 R 5.0703 9.5092 120.9401 54.4358 34.0896 173.9142 94 L 4.8842 9.0474 128.0710 53.5362 43.3450 175.4872 95 G 4.2063 9.1664 114.7588 44.5323 0.0000 173.3783 96 W 4.5518 9.1251 122.6830 57.3329 31.6639 176.3681 97 H 5.0075 8.0022 115.0126 54.6403 28.4561 175.0326 98 N 4.4535 8.1817 117.1840 52.5584 37.6247 173.2755 99 P 4.3596 0.0000 0.0000 65.5697 31.7748 177.5578 100 Q 3.9781 7.9828 119.0640 58.4425 29.2873 176.3840 101 Q 4.3006 7.6209 115.3406 54.9922 30.3324 176.4886 102 Q 4.1742 7.0935 117.3613 54.2529 29.7747 172.8733 103 F 4.9256 7.7446 119.6986 54.6381 41.4435 174.8778 104 P 4.4236 0.0000 0.0000 65.7129 31.3348 178.1767 105 R 4.1055 7.9727 115.4787 57.2093 30.2843 177.2267 106 G 3.0684 7.5766 105.8354 45.1958 0.0000 172.9132 107 E 3.9156 8.9983 126.8555 55.8421 31.0487 175.3806 108 V 4.6903 8.0751 126.8732 61.9555 32.7133 174.9347 109 T 4.7425 9.0505 117.5350 59.7732 72.8473 172.8416 110 K 4.6254 8.4699 124.0031 56.3203 33.8580 175.8476 111 V 5.2662 8.8246 119.0232 60.3459 36.7623 174.1808 112 G 4.5541 8.7647 107.7896 46.1059 0.0000 171.7800 113 Y 5.5103 9.2467 117.4733 56.5270 42.6599 174.8355 114 R 4.6828 8.8961 117.1155 55.9468 33.9181 173.2096 115 I 5.1161 8.6244 119.8448 59.4381 40.2897 175.4326 116 K 4.8809 8.7900 127.1942 56.0506 35.2066 175.7640 117 D 4.6136 9.8211 127.2256 56.1921 38.9785 173.1437 118 E 4.3162 8.0394 110.0173 56.6139 27.8321 174.5592 119 R 5.0966 7.5841 115.5482 54.0458 34.0306 175.1616 120 L 4.7618 9.0325 126.4598 55.1724 43.4087 175.3650 121 E 5.1760 9.5021 125.8612 54.5424 33.4204 174.7751 122 R 4.1867 8.9948 124.9613 55.1071 31.9137 174.9311 123 V 4.5906 8.4955 126.3558 60.7249 34.1647 173.9804 124 W 5.3205 8.4075 135.0000 55.3828 33.9896 173.6094 125 W 4.4082 8.7516 127.2673 55.0729 29.2324 176.4440 126 R 2.7091 7.8863 124.9223 57.6681 29.7491 176.4200 127 Y 4.7737 7.0699 113.2504 54.9663 40.6534 173.4785 128 P 4.4537 0.0000 0.0000 62.3173 32.0571 176.1373 129 D 4.5685 8.3254 120.0879 54.6160 41.5017 176.4734 130 T 4.7285 8.1275 119.2438 60.9601 72.4316 173.2431 131 P 4.2771 0.0000 0.0000 65.1852 31.7481 177.8636 132 A 3.9431 8.0450 120.7571 54.3008 18.3821 178.4496 133 G 4.0778 8.9545 99.4650 45.4164 0.0000 172.0297 134 Q 4.5027 7.8526 115.2202 54.0066 31.6653 174.3608 135 E 4.0937 8.7059 119.8764 55.4433 29.3105 176.4326 136 G 3.2556 8.2704 114.0830 45.9743 0.0000 172.6628 137 V 4.1360 8.1742 123.4865 61.1969 32.5662 174.5383 138 V 4.5074 8.0754 128.5410 61.8413 32.7136 175.0413 139 T 4.6749 8.8893 125.3057 60.8351 71.5917 171.5776 140 P 4.7360 0.0000 0.0000 63.1544 31.5447 175.9225 141 L 4.4810 9.0891 125.1772 56.0939 43.0527 177.0738 142 L 4.9950 7.6453 120.2684 53.2696 45.3341 176.4233 143 S 4.6718 9.3876 121.5256 57.8020 64.6868 173.0305 144 D 4.2531 8.3307 117.3748 55.6956 38.2368 174.6673 145 V 4.6440 7.8490 118.7169 61.1887 33.0254 175.4408 146 E 4.0374 9.0119 127.8222 59.0050 29.6500 176.9991 147 E 4.7983 8.1429 119.5544 54.1312 33.3899 173.3479 148 L 5.2023 8.8568 127.0527 53.4202 44.5435 174.8920 149 N 5.5000 9.1285 123.4841 52.2455 42.9128 173.0666 150 V 4.4071 8.0470 123.8780 60.9802 34.6189 174.4572 151 R 4.6342 8.1989 125.5032 54.2393 34.0087 174.3985 152 F 5.2158 9.1653 120.6755 55.8840 42.4205 173.7601 153 Y 4.4745 8.7556 125.6496 55.7012 38.9843 176.0454 154 D 4.5728 8.0192 128.1248 54.6894 40.0104 176.8700 155 G 3.8128 5.6664 115.3965 45.4204 0.0000 173.6457 156 K 4.3886 7.4837 116.5501 54.3425 34.3923 175.8410 157 Q 4.6557 6.6262 118.5676 54.4465 32.5831 172.9537 158 W 5.0294 9.0214 125.9665 56.3330 30.0670 175.6104 159 I 4.7980 9.4583 118.0754 59.3246 40.1977 176.1506 160 N 4.7146 9.1065 119.2638 54.3124 39.0602 174.7074 161 E 5.1970 8.2276 113.9897 54.2579 32.8093 175.5509 162 W 4.8762 8.2075 127.6867 55.9859 31.0076 174.1751 163 S 4.0987 7.9511 120.5242 59.5409 62.9468 174.2424 164 N 4.0717 6.6210 118.4404 53.3188 37.9576 174.1496 165 E 4.3267 8.4141 125.0887 57.0307 30.3533 177.6017 166 L 4.3050 7.9589 118.4015 56.3803 42.4749 176.7660 167 T 4.7624 8.2711 110.6955 59.8921 70.4933 173.2873 168 L 4.5014 8.4155 126.3234 53.5690 42.5891 175.1609 169 P 3.9980 0.0000 0.0000 61.9699 32.3414 176.2182 170 A 4.2505 8.3809 122.2393 54.9285 19.4514 177.4173 171 A 5.1010 7.6838 114.5171 50.4819 23.4437 175.2114 172 I 4.9083 9.1360 120.3995 59.5238 41.1765 174.5953 173 S 4.7459 9.1054 122.4803 56.4846 64.1533 172.8857 174 V 4.1247 8.1396 129.0904 61.6698 32.7659 174.0975 175 E 4.8815 9.2864 130.1810 54.4389 31.7725 174.2346 176 L 5.1062 8.9355 127.6533 53.4492 44.4943 175.8183 177 T 4.8193 8.6724 121.3216 62.2360 69.4556 173.9828 178 L 4.7563 8.8947 127.7535 53.5742 42.8965 178.5987 179 K 3.9576 8.8271 124.1418 59.1798 32.5850 177.9649 180 D 4.4307 8.0191 116.9598 55.5541 40.0065 176.9608 181 Y 4.5865 7.8053 115.0554 57.1774 39.6852 177.7328 182 G 3.9104 8.0933 107.9754 45.3198 0.0000 173.0469 183 K 4.6946 8.5502 123.1769 56.3028 32.9657 176.7775 184 I 4.6058 9.0411 125.8813 59.2974 40.5417 174.4730 185 A 5.0841 8.5010 127.3101 50.0347 22.2442 175.2679 186 R 4.2109 8.4163 119.7609 54.8125 33.4070 174.1225 187 T 4.6411 8.0617 122.7386 62.5678 70.3595 173.7559 188 Y 4.7994 8.9440 122.7881 56.1628 41.6285 174.6493 189 L 4.8701 8.7697 124.5500 54.4180 42.8666 176.2872 190 T 4.5378 8.1899 114.0291 59.6774 70.2489 173.2669 191 P 4.3828 0.0000 0.0000 62.6085 32.1307 175.5733 192 E 4.5297 8.3288 122.3106 55.1972 31.2140 176.1792 193 G 3.8135 8.3192 111.0031 46.5047 0.0000 173.4052 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 32 E 8.25 4.55 0.00 1.98 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 2.27 2.21 0.00 33 L 7.72 3.93 0.00 1.87 1.64 0.91 0.56 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 34 S 8.90 4.18 0.00 4.09 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 35 Q 8.06 3.97 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 36 E 7.85 4.04 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 37 R 8.12 4.07 0.00 1.91 2.01 0.00 3.32 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.82 0.00 38 T 8.30 3.91 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 1.22 0.00 0.00 39 A 8.22 4.06 1.40 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 0.00 0.00 40 R 8.04 3.87 0.00 2.10 2.23 0.00 3.21 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.94 0.00 41 L 7.90 4.09 0.00 1.88 1.70 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.10 4.36 0.00 2.99 2.88 0.00 0.00 6.62 8.49 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 43 E 8.52 3.95 0.00 2.16 2.16 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 2.34 2.35 0.00 44 L 8.10 4.00 0.00 1.97 1.86 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.17 4.03 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 46 R 8.22 3.92 0.00 2.05 2.01 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 47 A 8.03 4.06 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 3.99 0.00 1.69 1.76 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.21 3.69 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 1.06 0.00 0.00 1.04 0.00 0.00 50 M 8.06 4.15 0.00 2.23 2.43 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.86 0.00 51 M 8.31 4.49 0.00 2.12 2.37 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.08 0.00 52 D 8.67 4.56 0.00 3.04 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 53 S 8.00 4.45 0.00 4.05 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 54 D 7.65 4.72 0.00 2.92 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 55 F 8.21 3.82 0.00 1.70 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.83 4.30 0.00 2.03 2.07 0.00 3.23 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.88 0.00 57 Q 7.72 4.91 0.00 2.27 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.99 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 58 I 7.99 4.38 1.85 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.37 0.89 0.00 0.00 59 A 8.67 4.28 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 60 L 8.22 4.32 0.00 1.64 1.65 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 61 R 7.38 4.62 0.00 1.74 1.73 0.00 3.25 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 62 Q 8.73 4.37 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 63 T 8.67 4.65 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 1.14 0.00 0.00 64 R 8.26 4.93 0.00 1.77 1.75 0.00 3.19 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.65 0.00 65 T 8.54 4.19 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 1.30 0.00 0.00 66 N 8.53 4.85 0.00 2.68 2.76 0.00 0.00 7.10 7.98 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 67 G 8.25 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 68 E 8.73 4.70 0.00 1.89 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 2.17 2.25 0.00 *71 S 7.14 4.59 0.00 3.98 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 72 K 8.75 4.95 0.00 1.74 1.63 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.46 7.81 73 K 8.81 4.66 0.00 1.30 1.54 0.00 1.71 0.00 0.00 1.54 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.34 7.81 74 L 8.72 4.01 0.00 1.74 1.82 1.07 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.87 4.94 0.00 1.63 1.69 0.75 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 76 H 9.54 4.93 0.00 3.31 3.34 0.00 5.63 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 W 8.76 5.74 0.00 3.67 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 78 A 8.02 4.18 1.14 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 0.00 0.00 79 D 8.15 4.06 0.00 2.29 1.54 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 80 Y 8.19 4.32 0.00 3.13 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 81 L 7.29 4.12 0.00 1.91 1.59 0.97 0.76 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 82 L 9.18 3.98 0.00 1.97 1.89 1.31 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.42 4.45 0.00 2.81 2.76 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 84 S 7.79 4.56 0.00 4.12 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 0.00 85 D 9.21 4.70 0.00 2.72 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 86 N 7.72 5.03 0.00 2.72 2.07 0.00 0.00 6.31 7.20 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 87 K 8.20 4.11 0.00 1.83 1.05 0.00 0.61 0.00 0.00 1.24 0.00 0.00 2.72 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.55 7.81 88 G 8.46 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 0.00 0.00 0.00 0.00 89 I 9.15 5.67 2.63 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.57 1.54 0.00 0.00 90 M 9.36 5.40 0.00 2.12 1.88 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 91 F 8.77 5.22 0.00 3.07 3.16 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 92 A 8.68 4.75 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 93 R 9.51 5.07 0.00 1.86 1.90 0.00 3.34 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 94 L 9.05 4.88 0.00 1.64 1.64 0.67 1.23 0.00 0.00 0.00 0.00 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0.00 0.00 2.19 2.27 0.00 103 F 7.74 4.93 0.00 3.00 2.91 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 0.00 104 P 0.00 4.42 0.00 2.14 2.21 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 105 R 7.97 4.11 0.00 1.80 1.98 0.00 3.47 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 106 G 7.58 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 0.00 0.00 0.00 107 E 9.00 3.92 0.00 2.26 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 0.00 2.40 2.26 0.00 108 V 8.08 4.69 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 0.83 0.00 0.00 0.81 0.00 0.00 109 T 9.05 4.74 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 1.20 0.00 0.00 110 K 8.47 4.63 0.00 1.65 1.51 0.00 1.04 0.00 0.00 1.42 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.61 1.25 7.81 111 V 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0.00 0.00 2.24 2.27 0.00 136 G 8.27 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 0.00 0.00 0.00 137 V 8.17 4.14 2.18 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 0.96 0.00 0.00 0.90 0.00 0.00 138 V 8.08 4.51 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 0.83 0.00 0.00 0.79 0.00 0.00 139 T 8.89 4.67 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 1.19 0.00 0.00 140 P 0.00 4.74 0.00 2.09 2.08 0.00 3.74 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 1.99 2.00 0.00 141 L 9.09 4.48 0.00 1.75 1.85 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.65 4.99 0.00 1.77 1.51 1.01 0.94 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 0.00 143 S 9.39 4.67 0.00 4.03 3.88 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 0.00 144 D 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0.00 0.00 0.00 0.00 0.00 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 Y 8.76 4.47 0.00 1.43 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 0.00 0.00 0.00 0.00 154 D 8.02 4.57 0.00 2.84 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 0.00 155 G 5.67 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 K 7.48 4.39 0.00 1.53 1.72 0.00 1.65 0.00 0.00 1.46 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.18 7.81 157 Q 6.63 4.66 0.00 2.02 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.08 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 158 W 9.02 5.03 0.00 3.27 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 0.00 159 I 9.46 4.80 2.07 0.00 0.00 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 1.54 1.24 1.02 0.00 0.00 160 N 9.11 4.71 0.00 2.91 3.13 0.00 0.00 6.69 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 0.00 161 E 8.23 5.20 0.00 2.21 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 2.34 0.00 162 W 8.21 4.88 0.00 1.89 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 0.00 0.00 0.00 0.00 163 S 7.95 4.10 0.00 3.68 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 0.00 164 N 6.62 4.07 0.00 1.82 1.44 0.00 0.00 7.00 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 0.00 165 E 8.41 4.33 0.00 1.91 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 2.42 2.34 0.00 166 L 7.96 4.31 0.00 1.72 1.70 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 167 T 8.27 4.76 4.29 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 1.32 0.00 0.00 168 L 8.42 4.50 0.00 1.71 1.53 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 169 P 0.00 4.00 0.00 1.80 0.49 0.00 3.43 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.93 0.00 170 A 8.38 4.25 1.40 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 0.00 0.00 171 A 7.68 5.10 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 0.00 172 I 9.14 4.91 1.94 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 1.13 0.64 0.65 0.00 0.00 173 S 9.11 4.75 0.00 2.94 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 0.00 174 V 8.14 4.12 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 0.61 0.00 0.00 -0.13 0.00 0.00 175 E 9.29 4.88 0.00 1.83 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 0.00 2.13 2.13 0.00 176 L 8.94 5.11 0.00 1.57 1.57 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 177 T 8.67 4.82 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 1.23 0.00 0.00 178 L 8.89 4.76 0.00 1.64 1.75 1.09 0.68 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 0.00 179 K 8.83 3.96 0.00 1.82 1.81 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.54 7.81 180 D 8.02 4.43 0.00 2.32 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 0.00 181 Y 7.81 4.59 0.00 3.01 2.92 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 0.00 182 G 8.09 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 0.00 0.00 0.00 183 K 8.55 4.69 0.00 1.63 1.72 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.73 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.46 7.81 184 I 9.04 4.61 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.66 0.82 0.00 0.00 185 A 8.50 5.08 0.95 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 0.00 0.00 186 R 8.42 4.21 0.00 1.60 1.37 0.00 2.95 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.13 0.00 187 T 8.06 4.64 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 1.27 0.00 0.00 188 Y 8.94 4.80 0.00 2.78 2.80 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 0.00 189 L 8.77 4.87 0.00 1.54 1.62 0.90 0.90 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 0.00 190 T 8.19 4.54 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 1.21 0.00 0.00 191 P 0.00 4.38 0.00 2.12 2.07 0.00 3.71 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 2.10 2.12 0.00 192 E 8.33 4.53 0.00 1.92 1.85 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 2.25 2.38 0.00 193 G 8.32 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.