NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.1031 8.3149 120.1124 55.2505 33.4400 176.0924 5 P 3.7578 0.0000 0.0000 61.3713 32.9357 175.6997 6 I 3.5646 7.4928 118.8234 63.7096 38.2152 177.6437 7 W 4.0571 7.5397 117.3739 59.3169 28.0177 178.0793 8 E 3.9245 7.4854 119.1438 59.0461 28.8997 178.9183 9 Q 3.8842 7.5674 118.3009 58.9800 28.7573 178.9556 10 I 3.6891 7.8414 121.0657 64.0358 37.1692 178.7570 11 G 3.5284 8.0777 107.0146 47.9048 0.0000 176.0308 12 S 4.9092 8.3145 118.7379 60.2929 63.0701 176.4323 13 S 4.1124 7.7958 117.3851 61.0606 62.1206 175.8163 14 F 3.9789 8.3150 123.8305 61.1609 39.1354 177.2254 15 I 3.7930 7.9517 112.4873 63.6337 37.4572 178.0663 16 Q 4.0845 7.9869 121.8751 59.2106 28.8044 177.5002 17 H 4.0814 8.0434 118.9700 59.3904 29.8909 176.2068 18 Y 3.5777 7.7448 121.6239 61.1754 38.5040 178.1716 19 Y 4.2699 8.0398 116.9489 60.5185 37.8768 178.3263 20 Q 3.9940 8.0269 121.0585 59.1794 29.2842 178.1123 21 L 3.8808 7.9767 120.2157 57.6864 41.4347 179.0113 22 F 3.7152 7.9502 119.6462 61.6795 39.3154 176.7178 23 D 4.8230 8.3408 116.3338 56.3329 40.7263 177.8308 24 N 4.9393 7.8052 116.1859 53.8160 40.2262 175.9143 25 D 4.4355 8.3978 125.7258 53.1485 41.8842 175.4768 26 R 3.8577 8.2222 120.7387 57.0426 29.5013 178.8381 27 T 3.9573 7.6646 108.8262 63.9479 68.9773 175.3728 28 Q 4.2270 7.9749 120.3378 56.6478 29.0933 177.2278 29 L 4.2393 7.5607 118.1987 56.3122 41.4580 179.0090 30 G 3.7730 8.0984 105.8299 47.4425 0.0000 175.4771 31 A 4.1250 7.6151 121.6182 54.3688 18.5809 178.0623 32 I 4.3052 7.4750 109.2298 60.8420 38.0689 174.7139 33 Y 5.3360 7.7262 118.3225 56.4790 41.2329 174.5675 34 I 4.6513 8.8921 115.9364 58.6332 40.7120 176.1211 35 D 4.3319 8.7710 118.8874 57.3184 40.5747 178.1555 36 A 4.6597 7.8419 119.0660 52.0516 19.2791 176.8528 37 S 4.7755 8.1009 115.4767 59.9978 64.3737 173.1408 38 C 5.3414 9.4396 121.2734 57.9010 31.2367 172.7063 39 L 5.4171 9.3389 125.0275 53.6239 45.2732 175.0550 40 T 5.1264 9.3781 122.9262 61.7994 71.6045 172.9724 41 W 4.9233 9.8033 135.0000 55.3932 32.7146 174.9580 42 E 3.5393 9.8787 130.5918 57.1286 27.9558 175.5054 43 G 4.0785 8.7266 106.6654 45.0132 0.0000 174.2272 44 Q 4.3274 8.0884 119.7158 55.2290 29.6969 174.5005 45 Q 5.2522 8.1781 121.3531 54.5447 30.8938 175.1001 46 F 4.9198 9.3588 120.9377 55.9316 43.7655 173.3484 47 Q 4.9618 8.8979 122.8167 55.4991 32.1211 175.4017 48 G 4.5826 9.6118 112.1022 46.0056 0.0000 173.9773 49 K 3.7588 8.9281 122.5218 59.5240 31.9588 178.7887 50 A 3.9166 8.0151 119.7511 55.2542 18.2956 179.2716 51 A 3.9205 7.9232 118.6079 55.2858 18.4430 179.6477 52 I 3.2803 7.6350 118.2168 64.5787 37.2255 178.8905 53 V 3.3994 7.7930 119.0308 65.8508 31.3648 177.7323 54 E 3.8024 8.2605 119.5031 58.8112 29.2253 178.7200 55 K 3.5452 7.6038 119.1349 59.3715 32.6032 178.6586 56 L 3.5147 7.6676 119.4953 57.4921 41.1790 179.5651 57 S 4.0479 7.5776 114.5697 60.8438 62.8608 176.3365 58 S 4.0891 7.4523 115.6028 59.2172 63.4726 174.6945 59 L 3.5772 6.5429 122.1875 54.4892 41.6210 176.4482 60 P 4.3047 0.0000 0.0000 64.3341 31.4796 176.3795 61 F 5.5693 6.7768 113.1832 55.4568 39.3983 175.5327 62 Q 4.3835 9.1266 120.0065 57.4697 29.7203 175.8613 63 K 4.7880 7.9463 118.1981 54.4554 35.2097 174.7282 64 I 4.8885 8.2955 122.8978 59.3623 41.5337 173.7717 65 Q 4.7381 9.0098 129.0907 54.9544 32.0900 173.3965 66 H 5.2357 10.2532 124.8769 54.6041 30.8660 175.0554 67 S 4.5857 9.2682 116.1532 56.6902 65.8619 172.9862 68 I 4.2425 8.4401 126.3738 61.1021 36.9888 176.0216 69 T 4.2587 8.5930 124.6898 65.9896 69.2609 175.2621 70 A 4.7842 7.5513 120.2620 50.9293 23.0230 175.3569 71 Q 4.9658 8.5112 117.3103 54.8839 32.3014 173.2637 72 D 5.3148 9.2254 122.5513 52.8406 44.4332 174.7006 73 H 5.5819 8.7310 117.5434 54.6979 32.9855 172.6009 74 Q 4.2219 8.6880 117.9214 54.2340 33.5435 171.9535 75 P 5.0062 0.0000 0.0000 61.8157 33.4612 174.7331 76 T 4.5778 8.4946 111.2078 59.1488 71.3698 173.4397 77 P 4.2370 0.0000 0.0000 65.8081 31.4613 176.8596 78 D 4.6954 8.0205 116.0898 54.3447 40.6311 176.4517 79 S 3.8805 8.0259 112.8013 59.8241 60.8383 171.1918 80 C 5.0294 7.9062 119.0217 58.7056 30.9729 172.4777 81 I 5.0272 8.7146 119.4434 59.8551 40.9000 174.8629 82 I 4.9235 8.5932 127.1698 59.6583 39.8913 174.7721 83 S 5.1632 9.1239 122.3581 56.8463 66.5708 172.5571 84 M 5.0313 9.1437 124.7197 53.8055 34.3547 174.4220 85 V 5.0732 9.0772 126.6827 61.0480 35.1656 174.5592 86 V 4.3697 8.3380 125.5316 60.2590 34.6955 175.0603 87 G 4.0284 7.3578 109.3349 46.1038 0.0000 171.7369 88 Q 5.5275 8.9110 119.0004 54.0472 32.9645 174.9013 89 L 5.1012 9.1220 121.6756 53.9067 44.4585 175.2080 90 K 4.7190 8.9952 122.8450 54.7963 34.6591 174.2015 91 A 4.6608 8.2882 129.4120 50.2314 21.6948 175.2305 92 N 3.7883 8.8967 119.9658 55.2079 38.0847 175.6997 93 E 4.5465 8.7426 125.8102 57.0836 29.7662 175.6746 94 N 4.5864 7.9551 116.8889 52.4229 39.1329 173.4841 95 P 4.4782 0.0000 0.0000 62.1640 32.1489 176.5153 96 I 4.0194 8.1588 121.1904 62.6282 37.9556 175.2181 97 M 4.7589 8.9265 124.1427 53.8703 35.7426 174.8160 98 G 4.2507 8.8302 113.1691 46.5573 0.0000 171.9965 99 F 5.2674 8.9083 115.3383 55.7068 41.9118 172.7558 100 H 5.2703 8.7696 116.5250 54.2741 32.5986 172.5824 101 Q 5.0198 9.1583 122.3197 55.0117 33.1432 172.6731 102 M 5.1516 9.0949 125.5651 53.7263 35.4707 174.2086 103 F 5.4006 9.0408 123.4271 55.6210 43.3281 173.3346 104 L 5.0413 9.0515 125.7253 53.2957 44.3190 174.8640 105 L 5.3609 9.2675 126.2427 52.8832 44.9525 175.4036 106 K 4.9351 9.2321 123.4823 54.5569 35.9865 174.4901 107 N 4.0955 7.9851 125.7049 52.7642 39.8090 174.3004 108 I 4.2729 8.4617 127.3550 60.3847 40.2263 175.3182 109 N 4.1755 9.1937 124.4296 54.6459 35.5001 173.4749 110 D 4.3265 7.7325 109.4656 54.6044 40.5996 172.9883 111 A 4.6316 7.3584 117.1427 50.1066 23.1481 176.4736 112 W 4.6008 9.0498 123.2914 56.3889 29.6966 176.2365 113 V 4.6661 8.9378 118.9554 59.5125 34.8190 174.7029 114 C 4.9154 9.0068 124.8070 59.1068 31.5253 173.2930 115 T 4.5464 8.9011 117.2204 62.9296 70.5790 174.5377 116 N 5.6099 8.1103 118.7139 51.4938 43.2015 173.1416 117 D 5.1353 9.3330 122.3582 53.1207 45.2076 173.6773 118 M 5.3405 8.9851 125.2008 53.5352 35.6845 174.3535 119 F 5.2292 9.4551 125.7087 56.4897 43.2688 173.5359 120 R 4.6114 7.4052 123.9208 54.8876 33.7155 173.5902 121 L 4.5559 8.4686 125.3369 53.2826 43.1463 177.1280 122 A 4.6088 8.3033 127.1183 51.6264 21.0685 177.9510 123 L 4.4115 8.5029 119.2765 55.3029 45.4894 175.7833 *124 H 4.0610 9.3691 123.9143 58.4419 27.7921 174.3430 125 N 4.2773 8.3347 111.8458 52.4537 36.1401 175.5142 126 F 4.3872 8.4398 118.1202 58.2931 40.9423 174.9826 127 G 3.9043 8.1716 116.1151 45.7976 0.0000 172.3084 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 K 8.31 4.10 0.00 1.64 1.67 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.40 7.81 5 P 0.00 3.76 0.00 0.49 0.49 0.00 3.20 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 6 I 7.49 3.56 1.78 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 1.64 1.52 0.95 0.00 0.00 7 W 7.54 4.06 0.00 3.46 3.42 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 0.00 8 E 7.49 3.92 0.00 1.85 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 2.45 1.92 0.00 9 Q 7.57 3.88 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.49 0.00 10 I 7.84 3.69 1.42 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.56 -0.24 0.00 0.00 11 G 8.08 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.31 4.91 0.00 4.03 4.14 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 13 S 7.80 4.11 0.00 3.99 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 14 F 8.31 3.98 0.00 3.10 3.06 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 0.00 15 I 7.95 3.79 2.19 0.00 0.00 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 1.82 0.71 1.08 0.00 0.00 16 Q 7.99 4.08 0.00 2.26 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 17 H 8.04 4.08 0.00 3.24 3.15 0.00 5.68 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 18 Y 7.74 3.58 0.00 2.16 2.46 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 19 Y 8.04 4.27 0.00 3.26 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 20 Q 8.03 3.99 0.00 2.34 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 21 L 7.98 3.88 0.00 1.45 1.52 0.68 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 22 F 7.95 3.72 0.00 2.74 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.34 4.82 0.00 2.89 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 24 N 7.81 4.94 0.00 2.79 2.86 0.00 0.00 6.70 8.17 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 25 D 8.40 4.44 0.00 2.62 2.45 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 26 R 8.22 3.86 0.00 1.40 1.59 0.00 2.44 0.00 0.00 3.02 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.32 0.00 27 T 7.66 3.96 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 1.17 0.00 0.00 28 Q 7.97 4.23 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.89 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 29 L 7.56 4.24 0.00 1.78 1.84 0.45 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.10 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 31 A 7.62 4.13 1.33 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 0.00 0.00 32 I 7.47 4.31 1.95 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.06 0.74 0.00 0.00 33 Y 7.73 5.34 0.00 2.97 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 34 I 8.89 4.65 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.07 0.97 0.00 0.00 35 D 8.77 4.33 0.00 2.79 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 36 A 7.84 4.66 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 37 S 8.10 4.78 0.00 4.01 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 C 9.44 5.34 0.00 2.87 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 39 L 9.34 5.42 0.00 1.72 1.59 1.34 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.38 5.13 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 1.31 0.00 0.00 41 W 9.80 4.92 0.00 3.57 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 42 E 9.88 3.54 0.00 2.28 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 2.35 2.35 0.00 43 G 8.73 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 44 Q 8.09 4.33 0.00 2.66 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 45 Q 8.18 5.25 0.00 1.81 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 46 F 9.36 4.92 0.00 2.91 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 47 Q 8.90 4.96 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.53 0.00 0.00 0.00 0.00 0.00 2.25 2.54 0.00 48 G 9.61 4.58 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 49 K 8.93 3.76 0.00 1.90 1.88 0.00 1.77 0.00 0.00 1.94 0.00 0.00 3.53 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.75 7.81 50 A 8.02 3.92 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 51 A 7.92 3.92 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 52 I 7.64 3.28 1.62 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.80 0.15 0.00 0.00 53 V 7.79 3.40 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 0.89 0.00 0.00 1.00 0.00 0.00 54 E 8.26 3.80 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 55 K 7.60 3.55 0.00 0.79 1.19 0.00 1.26 0.00 0.00 1.28 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.56 7.81 56 L 7.67 3.51 0.00 1.33 1.16 0.97 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.58 4.05 0.00 3.67 3.74 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 58 S 7.45 4.09 0.00 3.92 4.14 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 59 L 6.54 3.58 0.00 0.88 0.48 0.85 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.30 0.00 2.20 2.15 0.00 3.59 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 61 F 6.78 5.57 0.00 3.29 3.18 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 62 Q 9.13 4.38 0.00 2.22 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 63 K 7.95 4.79 0.00 1.84 1.97 0.00 1.47 0.00 0.00 1.76 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.40 7.81 64 I 8.30 4.89 0.91 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.49 1.22 0.00 0.00 65 Q 9.01 4.74 0.00 2.09 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.60 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 66 H 10.25 5.24 0.00 2.84 2.88 0.00 5.85 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 9.27 4.59 0.00 3.78 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 68 I 8.44 4.24 1.89 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.47 0.95 0.00 0.00 69 T 8.59 4.26 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 70 A 7.55 4.78 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 71 Q 8.51 4.97 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 72 D 9.23 5.31 0.00 2.52 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 H 8.73 5.58 0.00 3.19 3.34 0.00 5.92 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 8.69 4.22 0.00 1.83 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.79 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 75 P 0.00 5.01 0.00 1.73 1.37 0.00 2.80 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.44 0.00 76 T 8.49 4.58 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 1.17 0.00 0.00 77 P 0.00 4.24 0.00 2.04 2.15 0.00 3.63 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 78 D 8.02 4.70 0.00 2.68 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.03 3.88 0.00 4.09 4.07 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 80 C 7.91 5.03 0.00 2.94 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 81 I 8.71 5.03 1.69 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.77 0.96 0.00 0.00 82 I 8.59 4.92 1.83 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 1.22 1.02 0.90 0.00 0.00 83 S 9.12 5.16 0.00 3.93 3.83 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 84 M 9.14 5.03 0.00 2.03 1.86 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 85 V 9.08 5.07 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 1.18 0.00 0.00 1.27 0.00 0.00 86 V 8.34 4.37 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 0.65 0.00 0.00 0.74 0.00 0.00 87 G 7.36 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.91 5.53 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.71 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 89 L 9.12 5.10 0.00 1.32 1.34 0.89 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 90 K 9.00 4.72 0.00 1.82 1.64 0.00 1.53 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.29 1.35 7.81 91 A 8.29 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.90 3.79 0.00 2.96 2.44 0.00 0.00 6.59 8.03 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 93 E 8.74 4.55 0.00 1.97 1.97 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 2.26 2.27 0.00 94 N 7.96 4.59 0.00 2.92 2.79 0.00 0.00 6.91 7.63 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 95 P 0.00 4.48 0.00 2.06 2.00 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 96 I 8.16 4.02 1.90 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 1.26 0.76 0.93 0.00 0.00 97 M 8.93 4.76 0.00 2.10 1.88 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 98 G 8.83 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 F 8.91 5.27 0.00 2.76 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 0.00 100 H 8.77 5.27 0.00 2.88 3.02 0.00 5.63 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 9.16 5.02 0.00 2.52 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 1.23 2.33 0.00 102 M 9.09 5.15 0.00 1.93 1.78 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.59 0.00 103 F 9.04 5.40 0.00 2.88 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 0.00 104 L 9.05 5.04 0.00 1.77 1.55 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 105 L 9.27 5.36 0.00 1.64 1.66 0.44 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 106 K 9.23 4.94 0.00 1.78 1.58 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.22 1.32 7.81 107 N 7.99 4.10 0.00 1.44 2.04 0.00 0.00 6.84 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 0.00 108 I 8.46 4.27 1.80 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 1.23 0.70 0.87 0.00 0.00 109 N 9.19 4.18 0.00 2.84 2.88 0.00 0.00 7.11 8.06 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 0.00 110 D 7.73 4.33 0.00 2.90 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 0.00 111 A 7.36 4.63 1.30 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 0.00 0.00 112 W 9.05 4.60 0.00 3.37 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 0.00 113 V 8.94 4.67 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 0.74 0.00 0.00 0.99 0.00 0.00 114 C 9.01 4.92 0.00 2.86 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 0.00 115 T 8.90 4.55 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 1.26 0.00 0.00 116 N 8.11 5.61 0.00 2.66 2.74 0.00 0.00 6.54 8.08 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 0.00 117 D 9.33 5.14 0.00 3.14 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 0.00 118 M 8.99 5.34 0.00 1.97 1.88 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 2.53 2.49 0.00 119 F 9.46 5.23 0.00 2.92 2.51 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 0.00 120 R 7.41 4.61 0.00 1.70 1.41 0.00 3.04 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.62 0.00 121 L 8.47 4.56 0.00 1.60 1.52 1.08 0.94 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 0.00 122 A 8.30 4.61 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 L 8.50 4.41 0.00 1.58 1.55 0.91 0.95 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 *124 H 9.37 4.06 0.00 2.83 3.12 0.00 7.34 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 N 8.33 4.28 0.00 2.89 2.81 0.00 0.00 6.35 7.43 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 0.00 126 F 8.44 4.39 0.00 2.93 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 0.00 127 G 8.17 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.