NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.4077 8.0976 120.9840 57.1535 30.8110 174.2474 5 S 5.3986 9.5176 116.8800 56.7730 66.2795 172.5596 6 A 5.2564 9.8458 123.5486 50.8211 23.5273 176.4261 7 R 4.7013 9.0159 117.5771 54.3300 34.8540 174.6366 8 V 4.8039 8.3512 121.4119 61.1611 34.7314 174.0442 9 I 5.0060 8.6426 127.9480 59.5991 40.5752 174.3272 10 I 4.6880 8.8966 128.4629 59.7598 38.6357 174.9785 11 A 4.7880 8.9671 131.3061 51.2159 19.7024 176.2054 12 S 4.4703 8.9621 116.8850 58.9056 65.6151 175.4949 13 T 3.8222 9.1777 128.0139 67.4799 68.6226 177.6026 14 R 4.0266 8.2424 121.1585 61.7221 29.2701 179.9412 15 A 4.4135 8.1273 121.6842 54.3609 18.3629 179.3987 16 S 4.3600 8.2103 111.5415 60.0398 63.3384 175.4359 17 S 4.9505 8.6422 114.7854 56.9952 64.4989 171.8860 18 G 2.7757 7.2518 110.3088 45.0126 0.0000 172.7851 *21 E 3.9996 8.0784 122.3890 55.2026 31.1596 173.0128 22 D 4.7615 8.6569 123.9917 52.2455 41.8995 175.9717 23 R 4.4117 8.4022 125.0553 57.6511 31.6964 178.4859 24 C 4.3903 8.2988 116.0563 62.3180 28.0278 175.6362 25 G 3.8174 8.6584 107.4809 47.8380 0.0000 173.5888 26 P 4.3157 0.0000 0.0000 65.0645 31.4008 178.7395 27 I 3.7375 7.2931 118.4921 64.5093 36.9623 178.6461 28 I 3.7754 7.8278 120.4782 64.6604 36.9198 178.3838 29 T 3.9173 8.3225 117.0831 66.7865 68.3074 176.0820 30 E 3.9454 8.4414 120.9686 59.0633 29.7001 178.6348 31 W 4.3750 8.3059 129.6696 59.9610 30.7857 177.8522 32 L 4.0582 8.6524 119.0646 57.7449 41.0813 179.3531 33 A 3.9868 8.2538 120.6909 55.4407 17.8511 179.5203 34 Q 3.9164 8.4391 116.8919 59.0311 28.5422 178.4719 35 Q 4.2275 7.5958 115.9360 55.3445 28.8649 176.6342 36 G 3.7679 7.7278 108.2373 45.4381 0.0000 173.5653 37 F 4.7688 8.4050 118.4878 56.3877 40.2101 175.6070 38 S 4.8493 8.8576 117.8280 57.8286 64.7437 173.2109 39 S 5.2405 8.5691 115.0778 57.6539 65.4537 173.8789 40 A 4.3805 8.7133 126.2007 51.8699 19.4233 177.9659 41 Q 4.0399 8.6232 117.5204 54.7123 28.6225 175.9266 42 P 4.6236 0.0000 0.0000 62.2918 32.3832 175.7655 43 E 4.2596 8.9972 123.8544 55.9157 30.7257 175.6232 44 V 4.6802 8.3671 125.1444 61.5946 32.7654 175.2646 45 V 4.6842 8.8390 120.3555 59.2272 36.2104 175.1000 46 A 4.4779 8.5421 124.0836 51.7376 19.1218 177.2911 47 D 4.2959 8.4419 119.7650 55.0538 41.5836 177.5462 48 G 4.1562 9.0480 105.5299 44.8162 0.0000 176.0782 49 S 4.1080 9.0087 115.7013 61.6475 62.6762 174.7254 50 P 4.2792 0.0000 0.0000 65.0652 30.9404 178.9587 51 V 3.6262 7.8757 117.7098 65.9532 31.5017 178.0270 52 G 3.9759 8.1641 106.3556 47.1851 0.0000 174.9529 53 E 3.8999 8.3900 121.3008 58.9993 29.7538 178.7222 54 A 3.9907 8.1696 120.9196 54.9937 18.3056 179.5138 55 L 3.8756 8.2546 117.8189 58.1349 41.7690 179.9078 56 R 3.9547 8.2246 120.3023 59.8672 29.7921 179.7875 57 K 3.9284 8.1745 122.3654 59.8449 31.9784 180.4906 58 A 4.3315 7.8735 121.9633 55.0607 18.3519 179.6976 59 I 3.6511 7.9659 118.5653 64.7951 36.9835 178.3295 60 D 4.4706 8.0921 118.0758 56.6429 40.7284 177.6074 61 D 4.4991 7.8070 117.6730 53.8219 41.6911 175.2653 62 D 4.3766 7.9272 118.5336 55.1329 40.2006 173.6730 63 V 4.5462 7.3689 109.0063 60.5619 33.0907 176.6202 64 D 4.7907 8.7457 121.8275 56.9193 42.0088 177.2173 65 V 5.0631 7.6966 116.5605 60.0865 35.2341 174.1353 66 I 4.8686 8.9901 124.4289 59.5410 40.2570 174.2331 67 L 5.1050 8.8162 127.5295 53.0950 44.1446 175.8099 68 T 5.1259 8.6109 113.9029 60.0606 72.2787 173.2720 69 S 4.9910 8.4364 116.7998 56.7380 65.8216 174.0170 70 G 4.0406 8.6342 112.3873 47.2296 0.0000 172.8464 71 G 4.0126 8.7154 105.7150 46.4411 0.0000 175.0649 72 T 4.5055 7.7888 107.9186 60.9253 70.1365 174.9131 73 G 3.9464 7.5547 113.9079 45.6586 0.0000 174.1752 74 I 4.2682 8.1609 115.5363 60.2415 38.6024 175.7420 75 A 4.1705 7.8291 124.8197 51.5557 18.9531 176.6431 76 P 4.2114 0.0000 0.0000 66.1881 30.9656 177.4776 77 T 4.2502 7.7062 105.3011 61.4894 69.1505 175.1426 78 D 4.6508 8.0511 124.4993 53.9693 39.1618 176.1346 79 S 5.0896 8.0245 114.5961 56.7736 64.2893 176.5620 80 T 3.8478 7.9378 120.0123 66.9508 68.0723 174.5502 81 P 4.4331 0.0000 0.0000 65.6225 30.8868 178.4257 82 D 4.3982 8.0219 117.3355 57.5144 40.6673 178.7167 83 Q 4.0627 8.4075 118.8156 59.0765 28.6277 178.9582 84 T 3.8959 7.9458 116.9849 66.4839 68.7108 176.9973 85 V 3.5682 8.2458 120.4295 66.0514 31.2873 177.9058 86 A 4.1602 7.7766 118.9195 54.1311 18.2677 178.8363 87 V 4.1634 7.4221 108.6240 60.6454 33.2701 176.5417 88 V 4.0396 6.5597 110.9064 60.3513 32.5342 176.1943 89 D 4.5167 8.7378 123.5657 57.3599 41.0658 176.1285 90 Y 4.7520 6.9239 114.4430 56.3610 40.2925 172.9243 91 L 5.2237 8.4419 120.0846 53.4024 44.3714 177.2306 92 I 4.6501 8.2167 120.6188 58.1375 37.6854 174.5831 93 P 4.3979 0.0000 0.0000 65.4801 31.5449 178.7971 94 G 3.5911 8.0993 105.1709 47.3446 0.0000 175.3839 95 L 3.9597 7.7988 122.4744 58.0303 42.2642 178.7112 96 A 3.9908 7.9834 120.2752 55.2600 18.2043 179.0901 97 E 3.8825 8.6194 117.9044 59.1659 29.7041 178.7300 98 A 3.9932 8.0827 120.9408 55.2554 18.1879 179.6974 99 I 3.6132 7.5678 117.1222 64.4578 37.5009 178.4488 100 R 4.1217 7.9780 121.1882 60.2593 30.0040 179.9169 101 Q 4.1117 8.4681 120.6397 59.9219 27.8226 180.3551 102 S 4.5208 8.0446 113.6163 60.9064 63.1665 175.7953 103 G 4.0954 7.9163 109.6204 43.3146 0.0000 172.8358 104 L 5.0084 7.2151 120.9098 52.3189 43.9804 174.6606 105 P 4.5923 0.0000 0.0000 63.5122 31.8512 177.7381 106 K 4.0882 8.0709 121.5259 57.1789 31.9526 181.8188 107 V 4.3778 7.9930 119.9038 58.9636 31.4156 173.4148 108 P 4.4127 0.0000 0.0000 65.4332 31.3340 177.1227 109 T 4.1270 7.8151 106.2703 63.1930 68.6623 176.1007 110 S 4.0798 8.4603 119.5900 61.9953 62.6138 176.5850 111 V 3.7978 7.3804 113.7467 63.4083 31.3512 177.7735 112 L 4.2297 7.8367 118.0244 55.2264 41.8389 177.1590 113 S 4.2843 7.3730 114.3181 58.6148 62.5932 173.7385 114 R 4.4339 9.1514 126.8797 55.8221 30.1366 176.7546 115 G 3.8630 7.5593 105.6984 47.0568 0.0000 173.6414 116 V 4.7139 9.2826 115.8716 59.4626 35.7904 174.2735 117 C 5.2454 8.1377 118.2382 58.4985 32.1410 173.4902 118 G 4.2857 8.7406 108.0293 45.9525 0.0000 171.8668 119 V 4.7522 8.0402 119.3481 60.6917 34.3530 174.0746 120 A 4.5988 8.9267 130.4956 51.3037 20.7412 178.6055 121 G 3.8686 10.1258 115.8012 47.7839 0.0000 173.8132 122 Q 4.6127 9.3390 115.9944 55.5340 29.8160 174.6054 123 T 4.7538 7.8653 115.9192 61.5659 71.4129 173.1469 124 L 4.6165 8.7232 129.5762 54.7125 43.6716 175.3709 125 I 4.9632 9.3058 127.5666 59.4409 40.5011 174.5859 126 V 4.5766 8.6431 126.4760 61.0377 34.3340 173.9313 127 N 5.3645 8.8421 126.2575 52.1831 39.0425 174.9644 128 L 4.7539 8.8153 124.4921 51.9995 44.9044 174.5526 129 P 4.4182 0.0000 0.0000 62.8367 31.9810 176.4130 130 G 3.9245 8.4379 105.8480 45.9788 0.0000 174.2169 131 S 4.8092 7.4435 115.3209 55.8962 66.6445 173.1040 132 P 4.3064 0.0000 0.0000 65.7995 31.0941 179.3455 133 G 3.6710 8.0875 104.2821 47.6228 0.0000 175.8804 134 G 3.5758 7.8551 108.3258 47.4264 0.0000 175.9577 135 V 3.4778 8.0498 120.9949 65.7901 31.5917 178.3154 136 R 3.8276 8.0080 117.7214 59.2550 29.7682 178.5331 137 D 4.4522 8.2195 118.8023 57.5527 40.8874 179.3689 138 G 3.4922 8.2079 106.0811 47.8196 0.0000 175.6605 139 L 3.4056 8.0923 122.0841 57.1138 41.1794 179.8510 140 G 3.6648 7.8397 105.0267 47.6465 0.0000 175.7041 141 V 3.7627 7.5465 120.5372 65.9343 31.6518 178.1021 142 L 4.0373 7.9910 118.5123 57.7944 41.1543 179.2424 143 A 4.5466 8.5058 120.5110 55.3407 18.4492 179.3831 144 G 3.8638 7.9489 101.3031 46.5186 0.0000 174.7105 145 V 4.5810 7.5130 110.8731 60.2742 34.9870 177.2433 146 L 4.0342 8.9168 122.1682 58.2809 41.9086 178.3061 147 D 4.4563 8.3149 118.2522 58.1322 40.7631 178.7212 148 H 4.2718 8.1794 115.5177 58.6957 28.7244 177.5916 149 A 4.0443 8.4947 122.9697 55.3238 18.2830 179.7068 150 L 4.0895 8.3782 117.8758 58.0998 41.4870 179.6067 151 D 4.3962 8.2878 118.9462 57.3098 40.8792 178.6028 152 Q 3.9871 8.5586 120.6787 58.8799 28.8333 177.7350 153 L 3.9972 8.2557 120.8229 58.2965 42.2550 178.5817 154 A 4.2657 7.8695 118.3259 52.2209 19.8210 176.1083 155 G 3.3960 7.7023 107.8193 47.6580 0.0000 174.6344 156 K 4.1860 8.1420 123.5912 55.4088 32.1232 175.9225 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 4 R 8.10 4.41 0.00 1.52 1.95 0.00 3.17 0.00 0.00 3.33 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.21 0.00 5 S 9.52 5.40 0.00 3.93 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 6 A 9.85 5.26 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 9.02 4.70 0.00 1.67 1.76 0.00 3.24 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 8 V 8.35 4.80 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 1.00 0.00 0.00 0.93 0.00 0.00 9 I 8.64 5.01 1.85 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 0.60 0.89 0.00 0.00 10 I 8.90 4.69 1.86 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 1.15 1.24 0.95 0.00 0.00 11 A 8.97 4.79 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 12 S 8.96 4.47 0.00 3.85 3.68 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 13 T 9.18 3.82 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 14 R 8.24 4.03 0.00 1.90 1.87 0.00 3.26 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.29 0.00 15 A 8.13 4.41 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 16 S 8.21 4.36 0.00 4.04 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 17 S 8.64 4.95 0.00 4.08 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 18 G 7.25 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 0.00 0.00 0.00 *21 E 8.08 4.00 0.00 2.03 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 0.00 2.13 1.88 0.00 22 D 8.66 4.76 0.00 2.60 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 23 R 8.40 4.41 0.00 1.90 1.94 0.00 3.17 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 1.64 1.63 0.00 24 C 8.30 4.39 0.00 3.13 2.94 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 25 G 8.66 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 26 P 0.00 4.32 0.00 2.18 2.14 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 27 I 7.29 3.74 2.04 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.97 0.91 0.00 0.00 28 I 7.83 3.78 1.98 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 1.41 0.80 0.89 0.00 0.00 29 T 8.32 3.92 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 1.25 0.00 0.00 30 E 8.44 3.95 0.00 2.25 2.21 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 2.36 2.35 0.00 31 W 8.31 4.37 0.00 3.56 3.35 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 32 L 8.65 4.06 0.00 2.00 1.84 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.25 3.99 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 34 Q 8.44 3.92 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 35 Q 7.60 4.23 0.00 1.66 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.97 0.00 0.00 0.00 0.00 0.00 1.24 1.16 0.00 36 G 7.73 3.77 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 0.00 37 F 8.40 4.77 0.00 3.02 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 38 S 8.86 4.85 0.00 3.94 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 39 S 8.57 5.24 0.00 3.94 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.71 4.38 1.26 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 41 Q 8.62 4.04 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.86 0.00 0.00 0.00 0.00 0.00 2.28 1.97 0.00 42 P 0.00 4.62 0.00 1.93 2.01 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 43 E 9.00 4.26 0.00 1.93 1.87 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 2.31 2.25 0.00 44 V 8.37 4.68 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 0.79 0.00 0.00 0.93 0.00 0.00 45 V 8.84 4.68 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 0.68 0.00 0.00 0.97 0.00 0.00 46 A 8.54 4.48 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 47 D 8.44 4.30 0.00 2.58 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 48 G 9.05 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 0.00 0.00 0.00 49 S 9.01 4.11 0.00 3.87 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 50 P 0.00 4.28 0.00 2.39 2.09 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 51 V 7.88 3.63 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 1.07 0.00 0.00 0.95 0.00 0.00 52 G 8.16 3.98 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 0.00 0.00 0.00 53 E 8.39 3.90 0.00 2.09 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 2.30 2.36 0.00 54 A 8.17 3.99 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 55 L 8.25 3.88 0.00 1.87 1.71 0.90 0.77 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 56 R 8.22 3.95 0.00 1.97 1.97 0.00 3.13 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 57 K 8.17 3.93 0.00 1.83 1.74 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.34 7.81 58 A 7.87 4.33 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 59 I 7.97 3.65 1.99 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 1.50 0.78 0.90 0.00 0.00 60 D 8.09 4.47 0.00 2.81 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.81 4.50 0.00 2.90 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 62 D 7.93 4.38 0.00 2.74 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 63 V 7.37 4.55 2.27 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 0.81 0.00 0.00 1.02 0.00 0.00 64 D 8.75 4.79 0.00 2.97 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.70 5.06 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 0.41 0.00 0.00 0.90 0.00 0.00 66 I 8.99 4.87 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 1.21 0.75 0.88 0.00 0.00 67 L 8.82 5.10 0.00 1.48 1.43 0.75 0.25 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 68 T 8.61 5.13 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 69 S 8.44 4.99 0.00 3.81 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.63 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 71 G 8.72 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 0.00 0.00 0.00 72 T 7.79 4.51 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 73 G 7.55 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 0.00 0.00 0.00 74 I 8.16 4.27 1.86 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 1.34 0.74 0.90 0.00 0.00 75 A 7.83 4.17 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 76 P 0.00 4.21 0.00 2.18 2.22 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 77 T 7.71 4.25 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 78 D 8.05 4.65 0.00 2.89 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 79 S 8.02 5.09 0.00 3.94 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 80 T 7.94 3.85 4.34 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 1.19 0.00 0.00 81 P 0.00 4.43 0.00 2.14 2.24 0.00 3.58 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 82 D 8.02 4.40 0.00 2.78 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 83 Q 8.41 4.06 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.53 2.68 0.00 84 T 7.95 3.90 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 1.18 0.00 0.00 85 V 8.25 3.57 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 1.01 0.00 0.00 0.94 0.00 0.00 86 A 7.78 4.16 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 87 V 7.42 4.16 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 0.79 0.00 0.00 0.92 0.00 0.00 88 V 6.56 4.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.99 0.00 0.00 89 D 8.74 4.52 0.00 2.57 2.86 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 0.00 0.00 0.00 0.00 90 Y 6.92 4.75 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 91 L 8.44 5.22 0.00 1.69 1.64 0.94 0.79 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 92 I 8.22 4.65 1.91 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 1.50 1.26 0.96 0.00 0.00 93 P 0.00 4.40 0.00 2.27 2.32 0.00 3.73 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 94 G 8.10 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.80 3.96 0.00 1.73 1.82 0.93 1.07 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 96 A 7.98 3.99 1.35 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 97 E 8.62 3.88 0.00 2.16 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 2.30 2.36 0.00 98 A 8.08 3.99 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 99 I 7.57 3.61 1.97 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 1.46 0.66 0.85 0.00 0.00 100 R 7.98 4.12 0.00 2.06 1.97 0.00 3.12 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 101 Q 8.47 4.11 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 102 S 8.04 4.52 0.00 4.02 4.13 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 0.00 103 G 7.92 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 0.00 0.00 0.00 104 L 7.22 5.01 0.00 1.81 1.56 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 4.59 0.00 2.17 2.14 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 106 K 8.07 4.09 0.00 1.80 1.77 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.00 7.81 107 V 7.99 4.38 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 0.86 0.00 0.00 0.92 0.00 0.00 108 P 0.00 4.41 0.00 2.19 2.11 0.00 3.64 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 109 T 7.82 4.13 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 0.00 110 S 8.46 4.08 0.00 3.85 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 0.00 111 V 7.38 3.80 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 0.78 0.00 0.00 0.97 0.00 0.00 112 L 7.84 4.23 0.00 1.71 1.71 0.91 1.07 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 0.00 113 S 7.37 4.28 0.00 3.83 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 0.00 114 R 9.15 4.43 0.00 1.87 1.92 0.00 3.23 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 115 G 7.56 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 9.28 4.71 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.96 0.00 0.00 117 C 8.14 5.25 0.00 3.00 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 0.00 118 G 8.74 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 0.00 0.00 0.00 0.00 119 V 8.04 4.75 0.74 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 0.76 0.00 0.00 0.86 0.00 0.00 120 A 8.93 4.60 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 G 10.13 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 Q 9.34 4.61 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.65 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 123 T 7.87 4.75 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 1.20 0.00 0.00 124 L 8.72 4.62 0.00 1.81 1.66 0.96 0.66 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 0.00 125 I 9.31 4.96 1.81 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 1.07 0.53 0.87 0.00 0.00 126 V 8.64 4.58 1.99 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 0.89 0.00 0.00 0.88 0.00 0.00 127 N 8.84 5.36 0.00 2.73 2.71 0.00 0.00 6.86 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 0.00 128 L 8.82 4.75 0.00 1.58 1.46 0.72 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.42 0.00 2.14 2.04 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.91 0.00 130 G 8.44 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 0.00 131 S 7.44 4.81 0.00 4.02 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 0.00 132 P 0.00 4.31 0.00 2.17 2.13 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 133 G 8.09 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 0.00 0.00 0.00 134 G 7.86 3.58 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 0.00 0.00 0.00 135 V 8.05 3.48 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 0.96 0.00 0.00 0.95 0.00 0.00 136 R 8.01 3.83 0.00 1.88 1.95 0.00 3.20 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 137 D 8.22 4.45 0.00 2.84 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 0.00 138 G 8.21 3.49 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 0.00 0.00 0.00 139 L 8.09 3.41 0.00 1.33 0.37 0.62 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 140 G 7.84 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 V 7.55 3.76 2.21 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 1.02 0.00 0.00 0.95 0.00 0.00 142 L 7.99 4.04 0.00 1.60 1.75 0.62 0.60 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 0.00 143 A 8.51 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 144 G 7.95 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 7.51 4.58 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 0.83 0.00 0.00 1.06 0.00 0.00 146 L 8.92 4.03 0.00 2.00 1.95 1.01 1.43 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 0.00 147 D 8.31 4.46 0.00 2.67 2.65 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 0.00 0.00 0.00 0.00 148 H 8.18 4.27 0.00 3.39 3.37 0.00 5.64 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 0.00 149 A 8.49 4.04 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.38 4.09 0.00 1.90 1.81 1.24 1.09 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 0.00 151 D 8.29 4.40 0.00 2.90 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 0.00 152 Q 8.56 3.99 0.00 2.20 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 153 L 8.26 4.00 0.00 1.94 1.95 1.01 1.09 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 0.00 154 A 7.87 4.27 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 0.00 155 G 7.70 3.40 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 0.00 156 K 8.14 4.19 0.00 1.85 1.60 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.31 1.23 7.81 * Residues marked with a * may have inaccurate shift predictions.