NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 K 4.3142 8.2729 122.1404 54.3009 34.5250 178.2172 16 Q 4.1539 8.0295 118.9697 60.1916 28.0066 182.7898 17 I 3.9912 7.9460 121.9164 66.0894 36.1097 181.3972 18 Q 4.2508 8.3453 124.9888 60.9398 27.7251 181.8779 19 E 4.2318 8.0536 120.9442 61.8615 29.8283 181.2880 20 M 4.2055 7.8526 124.0508 60.9254 31.3304 180.7954 21 K 4.2964 8.5300 127.5391 59.7358 31.7724 181.0703 22 E 4.2414 8.4017 118.6360 61.5130 29.6236 181.4997 23 A 4.2468 8.7074 123.3386 55.6287 18.5780 180.0657 *24 F 3.9748 9.1384 121.3867 62.8697 37.7489 181.0599 25 S 4.3541 8.3356 120.0254 64.5236 62.2986 179.9955 26 M 4.4970 7.7928 124.9637 59.8585 31.0954 181.0981 27 I 4.3124 8.0330 122.2310 65.2208 37.0962 181.8406 28 D 5.0144 8.2092 126.8821 54.9947 36.2829 178.6466 29 V 3.9267 7.9197 125.8502 64.5756 32.6574 181.3822 30 D 4.5650 8.4621 119.1856 55.6492 38.9268 180.4392 31 R 4.0260 8.7773 119.7141 59.2662 26.6514 179.8027 32 D 4.7697 7.9641 119.6044 53.2663 39.9904 179.9004 33 G 4.3915 8.5162 108.0795 47.7019 0.0000 174.3163 *34 F 5.2872 7.6135 119.6120 55.2584 42.4669 178.6206 35 V 4.4378 8.5389 121.1260 60.8552 33.5719 176.9221 36 S 4.8531 8.6121 125.8495 55.9414 66.1931 172.1663 37 K 3.8192 9.0142 126.6007 61.8086 31.0987 180.5350 38 E 4.3999 8.2772 120.1308 61.1866 29.8447 182.1311 39 D 4.6080 8.7873 123.5089 59.5329 39.9396 182.9742 40 I 3.9550 7.8651 123.9357 65.3554 35.5142 180.3601 41 K 4.0575 8.0322 124.8911 60.5853 31.4121 180.0316 42 A 4.1216 8.4743 123.0536 56.7678 17.8065 180.0856 43 I 3.7344 7.9638 121.5043 65.5842 36.1864 180.8635 44 S 4.4652 8.3976 122.3058 64.3698 61.8113 179.2679 45 E 4.2909 8.1411 123.5881 61.9121 29.5835 181.9291 46 Q 4.5069 7.8336 121.5250 59.6259 28.2141 179.1738 47 L 4.7092 8.7893 115.6474 53.9986 44.2424 183.3794 48 G 4.2181 8.0865 109.6247 43.5083 0.0000 173.1301 49 R 3.8925 8.3784 116.6397 56.6124 29.6006 173.5056 50 A 4.8182 8.2188 124.4604 49.8362 21.7854 175.4707 51 P 4.4543 0.0000 0.0000 62.4910 31.6491 177.6460 52 D 4.7314 8.5423 120.1241 53.4947 41.0785 178.9330 53 D 4.5878 8.9583 123.6082 60.3277 39.6694 181.0437 54 K 4.1665 8.3099 127.1722 60.2691 31.6867 181.3621 55 E 4.2254 8.4800 121.8172 61.7267 29.2188 182.0158 56 L 4.3222 8.0146 125.8164 60.4175 40.9496 181.2396 57 T 4.1255 8.7210 115.5117 66.0044 68.1520 178.3908 58 A 4.3278 8.4484 125.6131 55.2968 18.2987 180.1513 59 M 4.1340 7.8877 120.5974 59.5512 31.6000 183.8783 60 L 4.6563 7.5640 122.7009 59.3853 41.6713 183.5688 61 K 3.9078 8.1420 125.8040 59.6270 31.6939 180.5240 62 E 4.6540 7.5748 115.1338 59.0451 29.8297 181.8776 63 A 4.6994 8.1805 123.7063 51.9398 20.0550 175.5957 64 P 4.0808 0.0000 0.0000 65.1055 31.5491 173.6259 65 G 4.2790 7.2386 108.0688 43.2575 0.0000 170.1488 66 P 4.0610 0.0000 0.0000 60.9775 32.3594 173.8259 67 L 4.4405 8.3307 124.8532 53.5236 39.6764 176.6778 68 N 5.1007 7.9202 125.5119 51.5810 38.9433 177.4311 *69 F 4.2808 8.6446 114.9507 60.5383 38.1657 176.4190 70 T 4.3269 7.9449 118.8994 67.3553 68.8761 182.6509 71 M 4.4879 8.0393 124.8119 59.9764 31.3641 180.2986 *72 F 4.4979 8.2337 122.3764 62.2683 38.2557 183.0386 73 L 4.3269 8.1848 123.9521 60.0840 40.8341 182.8090 74 S 4.3607 8.2244 119.7232 64.6461 62.1470 181.9073 75 I 4.0801 7.5724 124.8340 65.2939 35.5021 180.7421 *76 F 4.4810 8.2491 124.1037 62.7601 37.6488 181.5098 77 S 4.5140 8.0650 120.9235 63.5060 62.2075 178.0045 78 D 4.9037 8.0690 123.4556 57.2772 39.8170 181.4245 79 K 4.5993 7.9036 126.3610 60.2625 31.9378 184.4138 80 L 4.4227 7.7047 117.6742 55.5445 40.6605 179.4392 81 S 4.7956 8.1460 116.3347 58.6708 63.9892 178.6920 82 G 4.1800 9.7596 116.2285 45.9557 0.0000 173.7750 83 T 4.7873 7.6032 110.9114 59.6439 73.6706 177.0156 84 D 4.9296 8.4415 123.8640 55.0899 39.3657 178.5085 85 S 4.9731 8.4330 120.5984 60.8852 66.3640 172.7484 86 E 4.4624 8.6472 121.0719 61.7900 29.4713 179.3980 87 E 4.4084 8.1048 118.7445 62.1764 30.2290 184.4720 88 T 4.1736 7.8991 117.6689 66.2720 68.3473 178.8426 89 I 4.1570 7.9328 124.4608 65.5458 35.9320 181.9058 90 R 4.2582 7.9687 124.6672 61.2546 29.1851 180.8860 91 N 4.6764 7.8982 117.2800 57.4044 37.9379 182.2971 92 A 4.3678 7.7097 124.4313 54.8099 18.5204 179.9053 *93 F 4.3070 7.7220 119.1193 61.3220 38.7428 183.1774 94 A 4.4266 7.8645 122.3669 54.3306 17.9329 179.1109 95 M 4.4950 7.8496 120.0503 58.1096 31.6390 182.6160 *96 F 4.9199 8.3267 116.9851 57.7678 40.7693 181.2295 97 D 5.0008 7.6862 122.5890 55.5481 39.3723 182.6355 98 E 3.9997 7.7323 121.3116 60.4183 30.6697 181.5553 99 Q 4.0319 8.0918 120.2029 56.2302 28.9550 178.5722 100 E 3.8161 8.7505 114.9645 58.7682 26.7593 180.7577 101 T 4.3397 7.7290 113.1133 60.4449 70.9525 176.7160 102 K 3.8553 8.3589 121.4975 55.8832 28.3662 181.6933 103 K 4.5006 7.2006 122.1162 55.5935 35.6307 177.8881 104 L 4.8997 8.1604 126.3437 53.4106 45.1058 176.2904 105 N 4.7502 8.9518 124.0036 53.2510 38.3899 176.0633 106 I 3.6992 8.8503 129.3150 65.1678 35.6138 175.0202 107 E 4.3141 8.3303 122.2734 61.9261 29.5080 180.5556 *108 Y 4.2420 8.3854 124.1923 62.3222 36.9111 181.4429 109 I 3.9639 7.8294 123.0140 65.8454 35.6879 180.8019 110 K 4.1660 8.0877 127.9934 60.5190 31.5180 181.3152 111 D 4.6341 8.1584 124.5587 58.9221 39.6047 180.8282 112 L 4.2472 8.3176 126.9772 60.0361 40.9019 181.7149 113 L 4.3009 8.2260 125.1749 59.9371 40.6924 181.8931 114 E 4.3387 8.1931 120.6098 60.8881 29.8841 181.4171 115 N 5.3440 8.1488 117.6041 52.1417 39.1538 176.8672 116 M 4.8995 7.7974 117.0441 54.6879 36.8171 176.3248 117 G 3.9690 9.0962 116.5564 46.2343 0.0000 177.2177 118 D 4.7237 8.8106 120.8439 50.9784 38.8245 175.5871 119 N 4.2960 8.1536 123.5900 52.8728 38.5865 175.9311 *120 F 4.6233 8.5600 126.5322 56.4890 40.6913 172.3360 121 N 5.1240 8.5535 114.9561 52.6978 42.0552 172.2528 122 K 3.9183 8.9971 124.0091 61.9573 31.4914 179.2697 123 D 4.6808 8.1451 124.3013 58.9820 39.9279 180.6114 124 E 4.1043 8.3614 122.2562 61.8579 29.7368 181.5002 125 M 4.3685 8.8125 124.3008 60.2416 31.4723 181.6927 126 R 4.2163 8.8326 125.4505 62.1035 29.4869 181.0242 127 M 4.3431 8.7285 123.8687 60.6077 31.1677 180.9693 128 T 4.3278 8.1807 117.9148 66.2860 68.2560 178.6404 *129 F 4.7608 8.0875 123.9090 59.9710 38.1338 180.2016 130 K 4.4749 8.2202 124.5481 60.5459 31.4679 184.2145 131 E 4.5878 7.4521 116.2867 59.6115 31.1605 180.4390 132 A 3.9059 6.9519 121.6823 51.0499 19.8422 177.2810 133 P 4.5179 0.0000 0.0000 61.1062 29.4855 173.5410 134 V 4.3174 7.5721 120.0818 59.7763 32.8120 178.2636 135 E 4.4391 8.7307 122.0359 57.7663 31.4463 170.8611 136 G 4.1935 9.5672 114.8511 44.7977 0.0000 172.3002 137 G 4.0696 8.9371 113.1595 45.1978 0.0000 174.5887 138 K 4.8284 7.8344 125.6375 54.7807 33.7432 180.1796 *139 F 4.4569 9.6771 130.1617 55.4766 38.7091 171.9536 140 D 4.4516 8.5122 128.4823 54.3878 39.6723 175.1230 *141 Y 4.3019 8.6431 128.8351 60.8272 37.4132 175.3655 142 V 4.1024 7.9035 122.5186 66.2541 31.9437 184.0033 143 K 4.0919 8.1611 125.2434 60.8038 31.7232 181.5508 *144 F 4.5052 8.1144 122.8482 62.0274 37.7734 180.9945 145 T 4.2401 8.3164 112.3555 66.2004 68.5005 181.3061 146 A 4.3371 8.1049 125.0052 55.8166 18.3480 179.7371 147 M 3.9476 8.1060 120.4111 60.9104 31.5781 181.6315 148 I 4.2270 7.7897 121.6000 63.4101 36.1196 179.7193 149 K 4.9297 8.8301 120.1211 56.8871 32.3613 181.4883 150 G 3.9601 8.8667 108.9076 47.3245 0.0000 172.7177 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 15 K 8.27 4.31 0.00 1.70 1.89 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 16 Q 8.03 4.15 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.05 0.00 17 I 7.95 3.99 1.87 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 1.50 0.54 0.91 0.00 0.00 18 Q 8.35 4.25 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.04 0.00 19 E 8.05 4.23 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.19 0.00 20 M 7.85 4.21 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 21 K 8.53 4.30 0.00 1.75 1.77 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.33 7.81 22 E 8.40 4.24 0.00 1.91 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 2.26 2.24 0.00 23 A 8.71 4.25 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 *24 F 9.14 3.97 0.00 2.26 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.34 4.35 0.00 3.66 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 26 M 7.79 4.50 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.43 0.00 27 I 8.03 4.31 1.87 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 1.38 1.10 0.91 0.00 0.00 28 D 8.21 5.01 0.00 2.72 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.92 3.93 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 0.67 0.00 0.00 0.93 0.00 0.00 30 D 8.46 4.57 0.00 2.60 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 31 R 8.78 4.03 0.00 1.91 2.20 0.00 3.22 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.45 0.00 32 D 7.96 4.77 0.00 2.63 2.64 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 33 G 8.52 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 0.00 0.00 0.00 0.00 *34 F 7.61 5.29 0.00 1.83 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 0.00 0.00 0.00 0.00 35 V 8.54 4.44 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 0.88 0.00 0.00 0.93 0.00 0.00 36 S 8.61 4.85 0.00 3.37 3.71 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 37 K 9.01 3.82 0.00 1.75 1.89 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.11 7.81 38 E 8.28 4.40 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.94 0.00 39 D 8.79 4.61 0.00 2.64 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 40 I 7.87 3.95 1.87 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 1.50 0.54 0.91 0.00 0.00 41 K 8.03 4.06 0.00 1.79 1.88 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.36 7.81 42 A 8.47 4.12 1.42 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 0.00 0.00 43 I 7.96 3.73 1.87 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 1.38 0.73 0.91 0.00 0.00 44 S 8.40 4.47 0.00 3.73 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 45 E 8.14 4.29 0.00 2.05 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 2.27 2.22 0.00 46 Q 7.83 4.51 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 47 L 8.79 4.71 0.00 1.56 1.34 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.09 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.38 3.89 0.00 1.84 1.77 0.00 3.23 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.24 0.00 50 A 8.22 4.82 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 51 P 0.00 4.45 0.00 2.10 1.85 0.00 3.74 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 1.94 1.58 0.00 52 D 8.54 4.73 0.00 2.60 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.96 4.59 0.00 2.67 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 54 K 8.31 4.17 0.00 1.75 1.86 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.09 7.81 55 E 8.48 4.23 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.19 0.00 56 L 8.01 4.32 0.00 1.64 1.71 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.72 4.13 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 58 A 8.45 4.33 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 59 M 7.89 4.13 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 60 L 7.56 4.66 0.00 1.67 1.68 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.14 3.91 0.00 1.85 1.78 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.35 7.81 62 E 7.57 4.65 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.19 0.00 63 A 8.18 4.70 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 64 P 0.00 4.08 0.00 2.11 1.92 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.65 0.00 65 G 7.24 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 0.00 0.00 0.00 0.00 66 P 0.00 4.06 0.00 2.11 1.82 0.00 3.74 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 1.94 1.65 0.00 67 L 8.33 4.44 0.00 1.56 1.60 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 68 N 7.92 5.10 0.00 2.64 2.74 0.00 0.00 6.87 8.12 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 *69 F 8.64 4.28 0.00 2.20 2.31 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 70 T 7.94 4.33 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 71 M 8.04 4.49 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.18 0.00 *72 F 8.23 4.50 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 0.00 0.00 0.00 73 L 8.18 4.33 0.00 1.69 1.74 0.92 1.07 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 74 S 8.22 4.36 0.00 3.74 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 75 I 7.57 4.08 1.87 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 1.38 1.10 0.91 0.00 0.00 *76 F 8.25 4.48 0.00 2.30 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 0.00 0.00 0.00 0.00 77 S 8.06 4.51 0.00 3.72 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 78 D 8.07 4.90 0.00 2.79 2.59 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 79 K 7.90 4.60 0.00 1.76 1.77 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.31 7.81 80 L 7.70 4.42 0.00 1.66 1.58 0.92 0.72 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 81 S 8.15 4.80 0.00 3.59 3.65 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 82 G 9.76 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 83 T 7.60 4.79 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 84 D 8.44 4.93 0.00 2.68 2.31 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 85 S 8.43 4.97 0.00 3.70 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 86 E 8.65 4.46 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.94 0.00 87 E 8.10 4.41 0.00 1.96 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 2.27 1.93 0.00 88 T 7.90 4.17 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 89 I 7.93 4.16 1.87 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 1.38 0.55 0.91 0.00 0.00 90 R 7.97 4.26 0.00 1.76 1.98 0.00 3.22 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 91 N 7.90 4.68 0.00 2.67 2.84 0.00 0.00 6.72 8.12 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 92 A 7.71 4.37 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 *93 F 7.72 4.31 0.00 2.26 2.29 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 94 A 7.86 4.43 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 95 M 7.85 4.49 0.00 2.17 1.98 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 *96 F 8.33 4.92 0.00 2.22 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 0.00 0.00 0.00 0.00 97 D 7.69 5.00 0.00 2.60 2.59 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 98 E 7.73 4.00 0.00 1.99 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 2.24 1.94 0.00 99 Q 8.09 4.03 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.77 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 100 E 8.75 3.82 0.00 2.08 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.11 0.00 101 T 7.73 4.34 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 0.00 102 K 8.36 3.86 0.00 1.94 1.80 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.25 0.99 7.81 103 K 7.20 4.50 0.00 1.47 1.53 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.14 0.87 7.81 104 L 8.16 4.90 0.00 1.32 1.51 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 105 N 8.95 4.75 0.00 2.41 2.74 0.00 0.00 6.91 7.51 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 0.00 106 I 8.85 3.70 1.87 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 1.38 0.52 0.91 0.00 0.00 107 E 8.33 4.31 0.00 1.97 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 0.00 2.31 1.94 0.00 *108 Y 8.39 4.24 0.00 2.29 2.28 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 0.00 109 I 7.83 3.96 1.87 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 1.50 0.53 0.91 0.00 0.00 110 K 8.09 4.17 0.00 1.78 1.87 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.35 7.81 111 D 8.16 4.63 0.00 2.70 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 0.00 112 L 8.32 4.25 0.00 1.62 1.70 0.92 0.52 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 0.00 113 L 8.23 4.30 0.00 1.66 1.71 0.92 0.78 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 0.00 114 E 8.19 4.34 0.00 2.07 1.91 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 2.26 2.21 0.00 115 N 8.15 5.34 0.00 2.72 2.64 0.00 0.00 6.80 7.15 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 0.00 116 M 7.80 4.90 0.00 1.93 1.79 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 117 G 9.10 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 0.00 118 D 8.81 4.72 0.00 2.69 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 0.00 119 N 8.15 4.30 0.00 2.50 2.66 0.00 0.00 6.87 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 *120 F 8.56 4.62 0.00 2.07 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 0.00 0.00 0.00 0.00 121 N 8.55 5.12 0.00 2.35 2.65 0.00 0.00 6.72 7.51 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 0.00 122 K 9.00 3.92 0.00 1.75 1.86 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.09 7.81 123 D 8.15 4.68 0.00 2.68 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 0.00 124 E 8.36 4.10 0.00 1.96 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 2.32 1.96 0.00 125 M 8.81 4.37 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 126 R 8.83 4.22 0.00 1.76 1.96 0.00 3.25 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 1.56 1.51 0.00 127 M 8.73 4.34 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.44 0.00 128 T 8.18 4.33 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 *129 F 8.09 4.76 0.00 2.32 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 K 8.22 4.47 0.00 1.86 1.76 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.33 7.81 131 E 7.45 4.59 0.00 2.22 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 2.18 2.17 0.00 132 A 6.95 3.91 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 0.00 133 P 0.00 4.52 0.00 2.01 1.97 0.00 3.71 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.57 0.00 134 V 7.57 4.32 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 0.88 0.00 0.00 0.93 0.00 0.00 135 E 8.73 4.44 0.00 1.95 1.74 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 2.16 2.12 0.00 136 G 9.57 4.19 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 0.00 0.00 0.00 137 G 8.94 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 0.00 0.00 0.00 138 K 7.83 4.83 0.00 1.46 1.70 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.00 7.81 *139 F 9.68 4.46 0.00 1.91 2.24 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 0.00 140 D 8.51 4.45 0.00 2.45 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 *141 Y 8.64 4.30 0.00 2.41 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 0.00 142 V 7.90 4.10 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 0.75 0.00 0.00 0.93 0.00 0.00 143 K 8.16 4.09 0.00 1.75 1.89 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.11 7.81 *144 F 8.11 4.51 0.00 2.23 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 0.00 0.00 0.00 0.00 145 T 8.32 4.24 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 0.00 146 A 8.10 4.34 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 0.00 147 M 8.11 3.95 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 148 I 7.79 4.23 1.87 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 1.38 1.10 0.91 0.00 0.00 149 K 8.83 4.93 0.00 1.78 0.90 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.29 1.29 7.81 150 G 8.87 3.96 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.