NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *9 R 4.3717 8.2549 119.0733 56.2952 31.6605 176.8996 10 H 4.7826 8.1238 113.7001 54.7656 29.2592 172.7116 11 L 4.8093 7.5720 119.0342 52.3173 44.3281 174.4199 12 P 4.5917 0.0000 0.0000 62.9743 32.5129 174.6668 13 Y 4.5328 8.5111 123.5756 55.8455 41.0355 174.0340 14 F 4.8332 7.8267 125.1444 55.5801 41.2701 174.4909 15 C 4.8089 8.7485 117.0438 57.3763 33.3302 172.9592 16 R 5.2254 8.0793 117.3538 55.0698 34.0645 174.5257 17 G 3.9659 8.7063 106.8932 45.3700 0.0000 172.7507 18 Q 4.8109 8.5268 119.6877 55.8399 30.3119 175.6744 19 V 4.4476 8.7216 123.6347 62.4890 32.6335 175.3010 20 V 5.0376 8.6071 120.8146 59.3738 35.1656 176.0670 21 R 4.1909 8.6947 121.4787 56.2310 30.7177 176.7529 22 G 3.9273 7.9603 109.2401 43.7789 0.0000 171.7491 23 F 4.7165 8.1130 117.0337 55.6370 42.7364 176.0751 24 G 3.8475 8.4581 108.7424 46.0023 0.0000 172.2296 25 R 4.3833 8.4813 120.3208 54.5202 31.5131 177.6325 26 G 3.7729 8.4252 114.2325 45.4868 0.0000 174.1727 27 S 4.3492 8.5478 115.7157 59.1316 63.1414 176.1309 28 K 3.8453 8.1982 123.3143 60.0830 31.4864 178.3954 29 Q 4.0021 8.0318 116.8513 58.7948 28.4326 177.8523 30 L 4.4200 7.7281 118.2208 53.9814 42.0401 177.3697 31 G 3.9486 8.0516 107.2656 45.8775 0.0000 174.7204 32 I 4.4481 7.1514 119.4073 58.0292 37.3586 172.9419 33 P 4.5589 0.0000 0.0000 62.8362 32.5700 176.9731 34 T 4.7664 7.8910 111.5046 59.9545 70.9713 173.1082 35 A 4.2586 9.1492 129.4090 51.1078 20.3111 175.7876 36 N 5.0514 8.5752 118.8312 51.9258 41.2936 174.2960 37 F 5.8156 8.3656 119.4406 54.4072 41.8368 174.0834 38 P 4.5438 0.0000 0.0000 62.4549 32.0623 177.1759 39 E 4.1013 9.1569 121.2911 59.8352 29.0498 179.1388 40 Q 4.0475 8.2010 116.2269 59.4881 28.5935 178.9530 41 V 3.6440 7.8543 119.8286 65.8217 31.6893 178.2499 42 V 3.6688 7.8577 117.5090 66.1176 31.2209 177.4121 43 D 4.5355 8.5226 117.8598 56.4538 40.6998 177.2997 44 N 4.7309 7.6687 115.1474 52.0879 39.3432 175.2965 45 L 3.8014 7.1929 121.4549 53.8317 42.2453 175.5338 46 P 4.3073 0.0000 0.0000 62.2821 31.9413 177.4973 47 A 3.9890 8.3917 123.4719 55.1449 18.4557 178.9153 48 D 4.3615 7.9667 113.8697 55.0949 39.5398 176.1636 49 I 3.6659 7.1037 120.8655 61.1170 37.7130 175.4921 50 S 4.5102 8.1409 124.7493 57.5431 63.7153 174.6901 51 T 4.0352 8.0348 112.8909 61.8411 69.4152 174.8293 52 G 3.7863 7.6799 109.0187 44.4971 0.0000 171.3862 53 I 4.9044 7.8964 121.4403 59.8727 39.4595 175.0349 54 Y 5.2018 9.4369 123.8392 56.2540 42.3637 173.7084 55 Y 5.1178 8.3265 117.5028 55.5785 41.9759 175.2579 56 G 3.9063 7.5692 106.6297 45.9487 0.0000 171.9248 57 W 5.5905 8.5057 120.5972 55.1216 33.4086 174.7299 58 A 5.7530 9.4714 123.7488 50.8530 22.7085 175.2996 59 S 5.0703 9.5212 113.8896 56.6796 67.4504 172.8233 60 V 4.5532 8.3407 120.5101 61.0351 33.7057 175.5882 61 G 4.1805 9.1107 118.2449 47.1775 0.0000 173.8397 62 S 5.1914 8.3074 117.0393 56.8670 62.9614 173.9213 63 G 3.8491 8.0771 111.3720 45.3234 0.0000 173.1009 64 D 4.5295 8.1483 119.0054 53.8891 41.8728 176.4074 65 V 4.0094 7.8308 120.3334 62.5214 32.3505 174.7644 66 H 5.3047 9.2956 124.2602 53.5516 33.2111 173.2788 67 K 4.3116 8.6589 119.0751 57.0894 33.3779 175.9625 68 M 5.1290 8.4923 118.5577 54.5366 35.0828 173.7289 69 V 4.9874 8.6979 112.6594 59.6037 35.6176 174.9535 70 V 4.8168 8.9152 123.5563 61.1806 34.9740 173.9310 71 S 5.2056 9.0989 122.7211 56.8278 64.3936 172.4364 72 I 4.8350 9.0445 128.7850 59.7809 39.4277 175.1958 73 G 4.2021 8.7011 113.3461 44.5392 0.0000 170.5845 74 W 5.1096 8.5583 118.9924 55.4390 30.6089 176.1253 75 N 4.5417 9.3342 124.0164 52.0012 38.1877 173.2679 76 P 4.1782 0.0000 0.0000 65.1675 31.5055 176.9107 77 Y 4.6583 8.2417 113.8335 58.1879 38.7104 175.1287 78 Y 5.1223 7.4739 117.1965 55.6935 40.0646 175.6151 79 K 4.0808 8.4895 121.4659 57.9156 33.3180 177.1820 80 N 4.3276 8.5225 119.3437 52.8562 37.4564 175.2724 81 T 4.3414 8.1330 109.4406 60.7794 67.7641 173.7838 82 K 4.7248 8.2281 128.9004 56.0295 34.6996 175.8570 83 K 4.9154 8.6167 122.5493 55.2080 34.6033 175.4551 84 S 4.9469 8.7734 115.2837 57.0808 66.5172 172.8604 85 M 5.4331 8.4916 119.9652 54.2027 35.2892 173.7908 86 E 4.9142 9.0780 122.7743 55.1672 33.8634 173.9875 87 T 4.9979 8.9282 119.3577 62.0256 72.0402 172.1857 88 H 5.2598 9.1936 126.6229 54.5494 32.0120 173.0994 89 I 4.5867 8.2477 126.4782 60.3739 38.4349 176.7253 90 M 4.4195 8.6706 128.6586 53.3495 29.6786 174.8419 91 H 4.4646 7.6904 117.3943 55.0736 33.3307 172.9457 92 T 4.2573 7.8534 123.3216 62.5429 68.6095 174.3900 93 F 4.5949 8.6957 125.8829 56.2094 40.2683 176.3742 94 K 4.3157 8.6860 122.3710 58.1310 33.3046 176.4090 95 E 4.7386 7.8808 118.8620 54.3169 32.6513 174.0974 96 D 4.4065 8.5881 124.2797 54.5213 41.9248 175.6165 97 F 5.0387 6.9686 113.2344 56.3465 38.2496 174.5772 98 Y 4.2858 7.8331 118.3513 60.7768 38.2893 177.0835 99 G 4.1099 9.2799 113.2556 45.4231 0.0000 173.6704 100 E 4.4021 7.8801 118.6614 56.0287 31.5152 175.8816 101 I 4.7571 8.2163 122.0697 60.5993 38.8781 174.6557 102 L 4.9385 9.4059 130.5683 54.0672 43.8442 174.7122 103 N 5.6801 9.5607 124.5192 51.9569 40.7076 174.3482 104 V 5.3900 9.6974 117.2218 59.5234 35.9663 174.7460 105 A 4.5137 9.4909 126.0207 50.1476 21.5270 175.2739 106 I 4.2520 8.5789 124.6557 61.3476 37.7931 177.1972 107 V 4.0657 8.5975 121.0697 61.8576 33.7997 176.3195 108 G 3.5088 6.9450 105.3038 44.7375 0.0000 171.0060 109 Y 4.5176 8.4024 122.0382 56.0848 40.4389 175.7295 110 L 4.2716 8.4420 127.7798 56.2593 42.5682 176.9194 111 R 4.3540 6.2739 112.5124 54.1547 32.2581 171.9815 112 P 5.2342 0.0000 0.0000 61.9470 32.3007 175.9274 113 E 4.1459 8.7287 119.8109 56.6658 29.9798 176.8169 114 K 4.4977 8.0436 119.7119 54.5467 36.0493 175.4312 115 N 4.6320 8.1540 118.2802 52.0025 39.7719 174.8227 116 F 4.9609 8.4615 121.1463 55.8596 41.6188 175.0230 117 D 4.7755 8.7114 122.5890 53.4251 40.0675 176.3405 118 S 4.6091 7.5754 113.6279 56.7234 67.2527 175.7796 119 L 3.9688 8.3299 122.4548 57.6561 41.3266 179.3285 120 E 3.8801 8.1319 119.2412 59.3747 29.6200 178.9761 121 S 4.0896 8.1677 114.2717 61.0763 63.0520 176.0317 122 L 2.9440 7.8371 123.9213 57.8408 41.7670 179.1764 123 I 3.5739 8.0049 120.0123 64.2655 36.9524 178.3764 124 S 3.9650 7.9967 113.8476 61.1619 62.0894 176.0771 125 A 3.8584 7.7853 123.4594 55.1037 18.0352 179.6432 126 I 3.5377 7.6278 118.3459 64.6869 37.2208 178.6118 127 Q 4.0404 8.2112 119.0872 59.0554 28.4854 179.4122 128 G 3.5806 8.2655 106.7206 47.6250 0.0000 175.5468 129 D 4.3009 8.2999 121.4054 57.3111 40.8564 178.9058 130 I 3.6626 7.8185 120.2347 64.5046 36.9744 178.4352 131 E 3.9251 8.1826 119.4046 59.1944 29.2429 179.0612 132 E 3.7860 8.3309 119.3069 59.0594 29.7163 178.5924 133 A 3.3746 8.0436 121.1114 55.0284 18.1891 179.5956 134 K 3.7379 7.7418 115.6363 59.6386 32.4007 179.4203 135 K 4.1048 7.7078 118.4496 59.5639 32.0745 179.7703 136 R 4.0185 7.7614 118.2254 58.7911 29.6980 178.4187 137 L 4.4457 7.4732 116.7890 56.2037 41.7710 178.1837 138 E 4.3728 7.9324 117.6562 56.7470 30.2088 176.9625 139 L 4.1749 7.6743 120.7102 54.0183 42.6288 176.1018 140 P 4.3263 0.0000 0.0000 66.0607 31.0201 178.4271 141 E 3.9334 8.0832 116.2815 58.7013 29.7763 177.3654 142 Y 4.9522 7.5744 115.6325 59.6583 39.0549 177.1981 143 L 4.4325 8.8644 121.9730 58.4036 42.1130 179.2821 144 K 4.0063 8.2154 118.0822 59.8270 32.4395 179.1513 145 I 3.9340 7.9893 121.0293 63.7356 36.7516 177.8468 146 K 2.8983 6.8267 120.2375 58.4290 31.6747 176.9004 147 E 4.4316 7.5429 115.9878 55.9488 29.9787 176.2030 148 D 4.5471 8.1476 119.7001 54.2857 43.2323 176.8468 149 N 4.3691 8.8179 122.4995 55.9959 38.2816 177.0750 150 F 3.8591 8.4310 122.2565 61.5755 39.1231 176.8933 151 F 4.3954 8.3187 116.2858 59.8182 38.8751 178.0125 152 Q 3.8787 7.9991 117.6183 58.6547 28.3410 178.5499 153 V 3.6030 7.5401 113.3078 64.3236 31.9973 178.2014 154 S 4.2681 7.6240 112.4761 59.4640 62.8248 174.4497 155 K 4.1505 7.5682 126.6283 56.9724 32.5368 175.9437 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 *9 R 8.25 4.37 0.00 1.85 1.91 0.00 3.20 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 10 H 8.12 4.78 0.00 3.36 3.39 0.00 5.84 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.57 4.81 0.00 1.66 1.58 1.06 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.59 0.00 1.48 1.98 0.00 3.80 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 2.16 2.10 0.00 13 Y 8.51 4.53 0.00 3.13 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 14 F 7.83 4.83 0.00 2.40 1.63 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 15 C 8.75 4.81 0.00 2.85 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 16 R 8.08 5.23 0.00 1.63 1.83 0.00 3.17 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 17 G 8.71 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 0.00 0.00 0.00 18 Q 8.53 4.81 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.98 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 19 V 8.72 4.45 2.32 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 0.71 0.00 0.00 1.14 0.00 0.00 20 V 8.61 5.04 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 0.92 0.00 0.00 1.08 0.00 0.00 21 R 8.69 4.19 0.00 1.53 1.51 0.00 2.78 0.00 0.00 2.87 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.87 0.00 22 G 7.96 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 23 F 8.11 4.72 0.00 3.04 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 24 G 8.46 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 25 R 8.48 4.38 0.00 1.79 1.84 0.00 3.38 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 26 G 8.43 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 27 S 8.55 4.35 0.00 4.07 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 28 K 8.20 3.85 0.00 1.80 1.92 0.00 1.67 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.49 7.81 29 Q 8.03 4.00 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.86 0.00 0.00 0.00 0.00 0.00 2.59 2.39 0.00 30 L 7.73 4.42 0.00 1.70 1.69 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.05 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 32 I 7.15 4.45 1.77 0.00 0.00 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 1.35 0.81 0.55 0.00 0.00 33 P 0.00 4.56 0.00 1.99 2.00 0.00 3.80 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 2.06 1.99 0.00 34 T 7.89 4.77 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 1.21 0.00 0.00 35 A 9.15 4.26 1.13 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 0.00 0.00 36 N 8.58 5.05 0.00 2.85 2.78 0.00 0.00 7.03 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 F 8.37 5.82 0.00 3.00 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 38 P 0.00 4.54 0.00 2.25 2.06 0.00 3.77 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.19 0.00 39 E 9.16 4.10 0.00 2.20 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 2.57 2.56 0.00 40 Q 8.20 4.05 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 41 V 7.85 3.64 2.12 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 0.62 0.00 0.00 0.71 0.00 0.00 42 V 7.86 3.67 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 1.07 0.00 0.00 1.08 0.00 0.00 43 D 8.52 4.54 0.00 2.68 2.75 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 44 N 7.67 4.73 0.00 2.86 2.91 0.00 0.00 7.00 7.94 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 45 L 7.19 3.80 0.00 1.56 1.30 0.81 0.49 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 46 P 0.00 4.31 0.00 2.13 1.73 0.00 3.01 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.95 0.00 47 A 8.39 3.99 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 48 D 7.97 4.36 0.00 2.78 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 49 I 7.10 3.67 1.84 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.39 0.74 0.00 0.00 50 S 8.14 4.51 0.00 3.73 3.72 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 51 T 8.03 4.04 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 0.26 0.00 0.00 52 G 7.68 3.79 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 0.00 0.00 0.00 53 I 7.90 4.90 1.70 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 1.16 1.07 0.89 0.00 0.00 54 Y 9.44 5.20 0.00 2.76 2.81 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 55 Y 8.33 5.12 0.00 2.87 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 56 G 7.57 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 57 W 8.51 5.59 0.00 3.51 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 58 A 9.47 5.75 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 59 S 9.52 5.07 0.00 4.10 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 60 V 8.34 4.55 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 0.57 0.00 0.00 -0.11 0.00 0.00 61 G 9.11 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 0.00 0.00 0.00 62 S 8.31 5.19 0.00 3.98 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 63 G 8.08 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 0.00 0.00 0.00 64 D 8.15 4.53 0.00 2.39 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 65 V 7.83 4.01 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 -0.02 0.00 0.00 0.43 0.00 0.00 66 H 9.30 5.30 0.00 3.10 3.16 0.00 5.67 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.66 4.31 0.00 1.61 1.44 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.73 1.46 7.81 68 M 8.49 5.13 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.66 0.00 69 V 8.70 4.99 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 0.73 0.00 0.00 1.02 0.00 0.00 70 V 8.92 4.82 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 0.82 0.00 0.00 0.95 0.00 0.00 71 S 9.10 5.21 0.00 3.94 3.72 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 72 I 9.04 4.83 1.97 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.58 0.72 0.00 0.00 73 G 8.70 4.20 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 0.00 0.00 0.00 74 W 8.56 5.11 0.00 3.18 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 75 N 9.33 4.54 0.00 2.64 2.78 0.00 0.00 7.21 8.09 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 76 P 0.00 4.18 0.00 0.88 1.74 0.00 3.25 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 1.54 1.90 0.00 77 Y 8.24 4.66 0.00 2.74 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 78 Y 7.47 5.12 0.00 3.02 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 79 K 8.49 4.08 0.00 1.90 1.86 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.49 7.81 80 N 8.52 4.33 0.00 2.98 2.97 0.00 0.00 6.94 7.54 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 81 T 8.13 4.34 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 0.98 0.00 0.00 82 K 8.23 4.72 0.00 1.94 1.99 0.00 1.99 0.00 0.00 1.95 0.00 0.00 2.89 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.78 1.70 7.81 83 K 8.62 4.92 0.00 1.54 1.62 0.00 1.45 0.00 0.00 1.38 0.00 0.00 2.79 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.47 1.17 7.81 84 S 8.77 4.95 0.00 3.85 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 85 M 8.49 5.43 0.00 2.11 1.94 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 2.50 2.62 0.00 86 E 9.08 4.91 0.00 2.02 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 2.19 2.28 0.00 87 T 8.93 5.00 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 1.23 0.00 0.00 88 H 9.19 5.26 0.00 3.23 3.17 0.00 5.76 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 89 I 8.25 4.59 2.19 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 1.45 0.79 1.17 0.00 0.00 90 M 8.67 4.42 0.00 1.84 2.13 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.52 0.00 91 H 7.69 4.46 0.00 2.61 2.76 0.00 5.91 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 T 7.85 4.26 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 1.19 0.00 0.00 93 F 8.70 4.59 0.00 3.16 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.69 4.32 0.00 1.89 1.97 0.00 1.50 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.58 7.81 95 E 7.88 4.74 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 2.27 2.39 0.00 96 D 8.59 4.41 0.00 2.75 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 F 6.97 5.04 0.00 3.01 3.02 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 98 Y 7.83 4.29 0.00 3.02 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 99 G 9.28 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 0.00 0.00 0.00 100 E 7.88 4.40 0.00 2.18 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 101 I 8.22 4.76 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.85 1.05 0.00 0.00 102 L 9.41 4.94 0.00 1.82 1.81 1.04 0.16 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 0.00 103 N 9.56 5.68 0.00 2.94 2.67 0.00 0.00 6.37 7.69 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 0.00 104 V 9.70 5.39 2.38 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 0.99 0.00 0.00 1.28 0.00 0.00 105 A 9.49 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.58 4.25 1.76 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.60 0.67 0.00 0.00 107 V 8.60 4.07 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 0.78 0.00 0.00 0.53 0.00 0.00 108 G 6.94 3.51 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 0.00 109 Y 8.40 4.52 0.00 2.77 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 0.00 110 L 8.44 4.27 0.00 1.55 1.50 0.88 0.66 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 0.00 111 R 6.27 4.35 0.00 1.70 1.81 0.00 2.96 0.00 0.00 3.36 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.43 0.00 112 P 0.00 5.23 0.00 2.12 2.20 0.00 3.31 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.86 0.00 113 E 8.73 4.15 0.00 2.02 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 2.34 2.44 0.00 114 K 8.04 4.50 0.00 0.92 1.12 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.20 1.50 7.81 115 N 8.15 4.63 0.00 2.57 2.66 0.00 0.00 6.78 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 0.00 116 F 8.46 4.96 0.00 3.02 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 0.00 117 D 8.71 4.78 0.00 2.78 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 0.00 118 S 7.58 4.61 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 0.00 119 L 8.33 3.97 0.00 1.70 1.73 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.13 3.88 0.00 2.01 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 2.35 2.35 0.00 121 S 8.17 4.09 0.00 4.22 4.15 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 0.00 122 L 7.84 2.94 0.00 1.66 1.80 0.77 0.89 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 0.00 123 I 8.00 3.57 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.44 0.84 0.00 0.00 124 S 8.00 3.97 0.00 3.84 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 0.00 125 A 7.79 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 I 7.63 3.54 1.87 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.51 0.82 0.00 0.00 127 Q 8.21 4.04 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 128 G 8.27 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 0.00 129 D 8.30 4.30 0.00 2.83 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 7.82 3.66 1.99 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.72 0.90 0.00 0.00 131 E 8.18 3.93 0.00 1.94 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 2.51 2.42 0.00 132 E 8.33 3.79 0.00 2.06 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 2.19 2.17 0.00 133 A 8.04 3.37 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 0.00 134 K 7.74 3.74 0.00 1.85 1.85 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.60 7.81 135 K 7.71 4.10 0.00 1.80 1.80 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.56 7.81 136 R 7.76 4.02 0.00 1.02 1.67 0.00 2.64 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 137 L 7.47 4.45 0.00 1.42 1.38 0.51 0.46 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 0.00 138 E 7.93 4.37 0.00 2.19 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 2.56 2.53 0.00 139 L 7.67 4.17 0.00 2.02 1.58 1.11 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 140 P 0.00 4.33 0.00 2.14 2.14 0.00 3.60 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 141 E 8.08 3.93 0.00 1.81 1.72 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 1.47 2.12 0.00 142 Y 7.57 4.95 0.00 3.29 3.19 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 0.00 0.00 0.00 0.00 143 L 8.86 4.43 0.00 2.12 1.81 1.21 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.22 4.01 0.00 2.09 2.09 0.00 1.43 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.76 1.58 7.81 145 I 7.99 3.93 2.40 0.00 0.00 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 1.64 1.03 1.28 0.00 0.00 146 K 6.83 2.90 0.00 0.79 1.23 0.00 1.06 0.00 0.00 1.30 0.00 0.00 2.72 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.80 0.21 7.81 147 E 7.54 4.43 0.00 2.06 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.30 0.00 148 D 8.15 4.55 0.00 3.08 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 0.00 149 N 8.82 4.37 0.00 2.72 2.82 0.00 0.00 6.64 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 F 8.43 3.86 0.00 2.38 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 0.00 151 F 8.32 4.40 0.00 3.34 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 0.00 152 Q 8.00 3.88 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.89 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 153 V 7.54 3.60 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 0.72 0.00 0.00 0.78 0.00 0.00 154 S 7.62 4.27 0.00 3.99 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 0.00 155 K 7.57 4.15 0.00 1.84 1.80 0.00 1.85 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.49 7.81 * Residues marked with a * may have inaccurate shift predictions.