NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 28 S 4.4417 8.3349 115.4162 58.1028 64.3449 173.0768 29 L 4.4724 8.1835 123.4867 52.0002 43.5269 173.9794 30 P 4.6349 0.0000 0.0000 63.0523 33.3258 175.2282 31 K 5.0790 8.7985 120.6699 57.4250 34.8825 173.8372 32 F 5.1374 7.8104 114.3639 55.4837 41.2325 173.1401 33 E 4.5746 8.9257 119.4581 54.8134 33.1308 176.0297 34 I 4.5419 8.1216 122.4235 59.6520 38.2666 173.4552 35 H 4.4052 8.4999 122.4736 55.3448 29.9953 174.0966 36 D 4.7986 8.8130 121.6046 52.7636 43.9188 174.5309 37 V 4.9475 8.6118 119.2161 59.6289 34.3823 175.6249 38 R 4.7595 8.7503 122.1101 54.0635 33.8090 176.0122 39 D 4.5041 8.7751 117.9857 54.9378 39.4927 176.5255 40 D 4.7744 7.8314 120.7823 50.9718 41.2326 173.9340 41 P 4.0842 0.0000 0.0000 65.3879 31.7762 178.9713 42 A 4.4467 7.8365 118.7714 52.1709 17.3713 177.8374 43 E 4.7068 8.5401 115.6892 57.6826 34.3631 176.1057 44 G 3.8771 8.1422 110.2456 45.5575 0.0000 173.0051 45 T 4.6725 8.3562 114.2807 60.4278 71.6975 171.8887 *47 T 4.2804 8.2632 116.7117 64.0995 69.8828 173.4441 48 R 4.5049 8.3601 126.7537 54.8134 33.5916 175.4664 49 V 4.3206 7.4810 121.6589 61.6551 33.3423 172.6436 50 A 5.2648 8.6068 128.2668 49.6184 22.6991 175.2597 51 V 4.9292 8.4336 118.0112 60.0919 34.4334 174.5357 52 D 4.8762 9.3132 124.8743 53.2243 44.2859 177.0981 53 G 3.8533 8.7433 115.4838 47.0635 0.0000 173.4990 54 K 4.2751 8.9596 123.1457 55.7808 32.6271 174.7181 55 L 4.6940 8.7093 124.6184 53.5208 43.3717 174.8504 56 L 4.7315 8.1759 128.7735 53.8362 44.0430 174.9827 57 L 4.9367 9.2300 128.1818 53.5379 44.9750 174.9167 58 I 4.7556 8.0232 127.6346 60.2566 39.3438 175.2375 59 S 5.3798 8.1804 118.7292 58.6880 67.1405 173.3167 60 Q 4.4247 8.1828 120.9062 55.5580 31.9725 172.1400 61 Y 5.2666 8.1578 124.6329 56.0090 39.7279 174.0416 62 P 4.9019 0.0000 0.0000 62.0088 33.1878 175.4733 63 Q 3.9931 9.3040 125.2907 56.4067 29.5933 175.5714 64 L 4.3438 8.6050 129.4235 55.5228 42.8787 176.8435 65 G 3.9283 8.6848 110.6580 44.2780 0.0000 169.3917 66 P 4.4603 0.0000 0.0000 61.6765 32.0246 176.4294 67 R 4.2549 8.1084 115.4196 55.7180 30.0840 176.7599 68 K 4.1707 8.0457 119.3422 57.0514 32.6452 177.3692 69 V 4.2361 8.0970 111.6523 61.6142 34.5176 175.6517 70 D 4.6930 7.8799 119.8162 52.0832 41.7183 174.9072 71 P 4.1944 0.0000 0.0000 65.5554 31.4587 176.7068 72 N 4.7425 8.0256 112.9142 53.1101 38.7816 175.2726 73 D 4.6131 7.9941 121.5739 53.0386 39.5864 176.6775 74 L 4.1968 8.0961 122.1592 54.8902 42.1782 177.5047 75 S 4.1621 7.3794 113.4549 57.7794 62.8151 172.2653 76 P 4.5301 0.0000 0.0000 62.8219 32.0515 175.9624 77 Q 4.2513 8.6081 119.1156 55.8708 29.8482 174.8602 78 F 5.0326 7.7418 114.6816 56.1747 42.6298 174.9026 79 D 4.4391 9.6061 125.2206 53.5133 39.2796 176.5544 80 A 3.6662 8.1887 126.1666 53.1688 18.4019 177.4758 81 D 4.9820 7.8539 115.4777 53.8688 41.5804 177.1005 82 R 4.6387 7.8548 113.6131 55.5509 33.3468 175.7423 83 R 4.3873 7.9708 116.0246 56.8816 30.7494 175.7100 84 I 4.3553 8.5063 123.1249 60.0446 38.7068 174.6987 85 S 4.9719 8.4953 123.5063 56.6491 65.1293 174.2685 86 V 4.3905 8.7168 118.1998 59.3809 35.0241 175.0199 87 R 4.8992 8.5631 121.3739 54.3886 33.0398 175.0332 88 L 4.9638 8.6118 121.0655 52.8373 45.5527 177.0056 89 R 4.1485 8.7012 121.5326 55.9308 30.9683 177.1599 90 H 4.3115 9.2531 120.4855 58.9754 29.4768 177.7807 91 V 3.6145 7.7875 120.2977 64.8057 31.2469 177.7843 92 D 4.3258 8.1302 118.2660 57.1861 40.8891 178.0988 93 L 3.9794 8.1249 120.4114 58.0168 42.0146 178.4739 94 A 3.9022 7.6151 120.3101 55.7743 18.0681 178.9206 95 Y 3.9361 8.3135 114.2242 61.3220 38.1813 178.9053 96 L 4.4465 8.0774 119.5808 58.0844 41.7671 179.7326 97 V 3.7145 7.9457 117.6303 66.0958 31.3751 177.8813 98 G 3.7531 8.9030 106.1304 47.9704 0.0000 175.6397 99 V 3.9255 8.1290 120.2909 65.8935 31.3691 177.9955 100 C 4.9696 7.9771 116.7890 61.7363 28.0768 174.9037 101 K 4.4410 8.0172 117.7636 55.3387 31.8713 176.3198 102 E 3.8357 7.5993 116.9986 57.7495 27.3971 175.2797 103 R 4.4427 8.2184 115.9721 55.7829 30.3327 176.8610 104 V 4.3646 6.9638 114.2747 60.4362 33.3033 171.3833 105 P 4.3597 0.0000 0.0000 64.8560 31.5304 176.2323 106 R 4.5856 7.0187 112.4566 56.1586 31.6259 173.2758 107 H 4.8144 8.8925 119.4016 54.6765 32.9718 172.4977 108 R 5.1993 8.1125 125.7487 53.5409 33.0826 173.9911 *110 E 4.0316 8.4706 119.2563 56.2576 30.4486 174.6939 111 T 4.4817 8.6046 119.1685 60.2861 70.7710 174.1169 112 K 3.7101 8.7534 125.7344 59.7595 32.0672 178.3194 113 A 4.3036 7.5371 119.1192 53.8519 18.8176 176.1265 114 Y 4.7491 6.8105 113.5282 57.1436 42.0474 173.1605 115 T 4.9582 8.4632 115.6155 62.0726 71.7412 173.3315 116 L 5.5790 8.7171 125.5603 53.0549 46.4895 175.4263 117 D 5.2793 9.0996 120.9081 52.5140 45.0390 174.5481 118 F 5.8279 9.1486 123.9242 56.5534 42.3328 173.6907 119 E 4.9155 8.7685 122.4233 54.7436 33.4862 173.7653 120 K 4.2896 8.4316 122.4289 55.5322 32.9457 176.3130 121 S 4.5325 9.3743 122.7328 56.4506 64.0615 174.6906 122 A 3.7339 8.4960 125.9069 54.6961 18.4241 178.3718 123 Q 4.4335 7.7117 114.3620 56.1104 30.5315 174.5525 124 G 4.2154 6.9276 103.8274 47.2088 0.0000 171.8489 125 Y 5.2488 8.0640 118.0863 56.6750 42.4556 174.7217 126 H 5.0685 9.0257 120.0842 55.2099 33.9191 171.8109 127 L 5.6377 9.8977 128.9399 52.5005 43.3740 174.5040 128 H 5.3804 9.3105 120.6234 51.9238 32.2940 174.3229 129 G 4.7411 7.2973 105.5806 45.8113 0.0000 173.3368 130 K 5.0901 8.1403 123.9367 55.5088 36.4179 175.5016 131 V 4.8058 8.5329 118.4515 60.5630 35.4929 174.0017 132 H 5.0341 8.2494 114.8487 54.7357 31.4952 173.5929 133 R 4.4602 8.5246 118.7604 55.0156 31.3044 176.9919 134 V 3.5503 7.7453 113.4684 62.7754 32.4232 176.2567 135 A 3.7322 8.4089 123.6322 52.2037 15.8901 177.6033 136 S 4.4938 7.2429 110.6724 57.7769 65.8405 174.8730 137 Q 4.0675 8.8436 127.1011 58.6767 28.8508 176.5099 138 R 4.0027 7.7424 115.7267 56.1615 30.8935 175.0139 *140 E 4.2600 8.2777 115.3902 56.1035 31.0939 175.1811 141 D 5.0847 8.8093 120.7626 55.1892 42.0221 175.2793 142 W 5.4624 9.3733 131.2940 55.6229 35.2307 173.4914 143 S 5.3115 5.8100 117.8759 58.0638 63.7370 177.1175 144 V 4.1887 6.9497 113.6749 59.8583 36.1072 173.5526 145 K 5.1360 8.0985 122.1357 53.4404 35.6677 176.9557 146 F 4.7580 8.9184 123.3661 56.2255 38.2377 174.4796 147 D 4.7525 8.3841 122.5331 53.0870 43.3468 180.8244 148 N 4.2406 8.8869 116.9761 53.3214 40.0927 177.6415 149 H 4.0571 8.8506 127.9870 59.9975 27.6542 176.4449 150 F 4.6424 8.2533 121.7301 59.8499 38.2691 177.4383 151 A 4.3689 8.3429 120.7100 55.1004 18.2351 179.6988 152 V 3.7556 7.9326 116.5994 66.3531 31.5032 178.0989 153 T 3.7524 7.8808 109.3293 64.7548 68.5151 175.8715 154 L 3.6795 8.0222 124.1130 57.6240 42.0243 178.4214 155 E 3.8698 9.3045 118.9365 59.9825 29.3776 178.8203 156 H 3.9874 8.3447 115.6367 59.0787 28.9296 177.2129 157 F 3.9136 8.6704 122.3795 61.5921 39.1492 177.2887 158 L 4.0412 8.1147 118.0490 58.0668 41.3042 179.0870 159 E 3.9503 8.1026 117.2788 59.8102 29.7052 179.8091 160 S 4.1425 8.7824 115.5284 61.9052 62.9996 175.8172 161 A 3.7067 8.1808 123.2738 55.5479 18.0796 179.0209 162 L 4.3137 8.1284 118.5536 57.7648 41.9030 179.5634 163 D 4.5706 7.8108 117.7416 56.4523 41.0332 177.4584 164 E 4.6035 8.4231 117.5902 55.9138 30.2084 176.8317 165 S 4.7082 7.1902 113.5400 58.7945 63.1141 175.8688 166 F 4.7558 8.0308 119.4705 57.3973 41.5860 175.0676 167 G 3.6576 8.0623 107.0713 46.7208 0.0000 174.5898 168 F 4.2347 7.9076 119.1277 59.4834 39.9386 177.3382 169 R 3.7816 8.0628 116.9899 60.3246 29.6136 178.0071 170 Q 4.0706 8.1206 116.9194 59.6184 28.9551 178.6426 171 H 4.3154 8.1074 117.5207 58.3026 30.7653 175.0603 172 Y 4.6139 8.4474 120.1145 57.4040 37.3629 175.4187 173 A 4.2806 7.5559 126.5580 52.4582 19.4690 176.3369 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 28 S 8.33 4.44 0.00 4.02 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 29 L 8.18 4.47 0.00 1.77 1.67 0.94 0.78 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 30 P 0.00 4.63 0.00 2.07 1.91 0.00 3.86 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 31 K 8.80 5.08 0.00 1.64 1.80 0.00 1.11 0.00 0.00 2.41 0.00 0.00 2.98 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.42 1.22 7.81 32 F 7.81 5.14 0.00 3.07 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 33 E 8.93 4.57 0.00 1.67 1.60 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 1.93 2.08 0.00 34 I 8.12 4.54 1.60 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.68 0.50 0.00 0.00 35 H 8.50 4.41 0.00 3.05 3.29 0.00 5.66 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.81 4.80 0.00 2.73 2.53 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 37 V 8.61 4.95 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 0.86 0.00 0.00 1.01 0.00 0.00 38 R 8.75 4.76 0.00 1.84 1.77 0.00 3.34 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 39 D 8.78 4.50 0.00 2.76 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 40 D 7.83 4.77 0.00 2.66 2.53 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 41 P 0.00 4.08 0.00 2.22 2.40 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 42 A 7.84 4.45 1.36 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 0.00 0.00 43 E 8.54 4.71 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 44 G 8.14 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 0.00 0.00 0.00 45 T 8.36 4.67 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 1.34 0.00 0.00 *47 T 8.26 4.28 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 1.10 0.00 0.00 48 R 8.36 4.50 0.00 1.50 1.36 0.00 2.97 0.00 0.00 3.04 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.22 0.00 49 V 7.48 4.32 0.67 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 0.42 0.00 0.00 0.54 0.00 0.00 50 A 8.61 5.26 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 51 V 8.43 4.93 2.26 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 0.85 0.00 0.00 0.98 0.00 0.00 52 D 9.31 4.88 0.00 2.65 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 53 G 8.74 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 54 K 8.96 4.28 0.00 1.80 1.81 0.00 1.53 0.00 0.00 1.32 0.00 0.00 3.08 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.33 7.81 55 L 8.71 4.69 0.00 1.66 1.68 0.93 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.18 4.73 0.00 1.77 1.49 0.79 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 57 L 9.23 4.94 0.00 1.63 1.42 0.90 0.79 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 58 I 8.02 4.76 1.71 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.33 0.99 0.00 0.00 59 S 8.18 5.38 0.00 3.58 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 60 Q 8.18 4.42 0.00 2.20 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.93 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 61 Y 8.16 5.27 0.00 2.88 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 62 P 0.00 4.90 0.00 2.15 2.04 0.00 3.72 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 63 Q 9.30 3.99 0.00 1.99 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.00 0.00 64 L 8.60 4.34 0.00 1.67 1.47 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.68 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 66 P 0.00 4.46 0.00 2.02 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 2.00 2.04 0.00 67 R 8.11 4.25 0.00 1.89 1.89 0.00 3.19 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 68 K 8.05 4.17 0.00 1.78 1.78 0.00 1.62 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.60 1.45 7.81 69 V 8.10 4.24 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 0.70 0.00 0.00 0.92 0.00 0.00 70 D 7.88 4.69 0.00 2.67 2.53 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 71 P 0.00 4.19 0.00 2.08 2.13 0.00 3.72 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 72 N 8.03 4.74 0.00 2.71 2.83 0.00 0.00 6.81 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 73 D 7.99 4.61 0.00 2.74 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 74 L 8.10 4.20 0.00 1.69 1.71 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 75 S 7.38 4.16 0.00 3.98 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 76 P 0.00 4.53 0.00 2.25 2.06 0.00 3.78 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 77 Q 8.61 4.25 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.89 0.00 0.00 0.00 0.00 0.00 1.81 1.18 0.00 78 F 7.74 5.03 0.00 3.19 3.08 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 79 D 9.61 4.44 0.00 2.62 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 80 A 8.19 3.67 0.99 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 0.00 0.00 81 D 7.85 4.98 0.00 2.59 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 82 R 7.85 4.64 0.00 1.94 1.89 0.00 3.34 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.87 0.00 83 R 7.97 4.39 0.00 2.16 2.18 0.00 2.84 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 84 I 8.51 4.36 1.40 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.80 0.15 0.00 0.00 85 S 8.50 4.97 0.00 3.68 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 86 V 8.72 4.39 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 0.00 0.00 0.21 0.00 0.00 0.59 0.00 0.00 87 R 8.56 4.90 0.00 1.71 1.82 0.00 3.15 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 1.49 1.64 0.00 88 L 8.61 4.96 0.00 1.53 1.53 0.84 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 89 R 8.70 4.15 0.00 1.91 1.91 0.00 3.19 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 90 H 9.25 4.31 0.00 3.23 3.36 0.00 5.90 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.79 3.61 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 0.94 0.00 0.00 1.01 0.00 0.00 92 D 8.13 4.33 0.00 3.04 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 93 L 8.12 3.98 0.00 1.71 1.73 0.91 0.71 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 94 A 7.62 3.90 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 8.31 3.94 0.00 2.81 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 96 L 8.08 4.45 0.00 1.91 1.79 0.12 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.95 3.71 2.22 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 1.06 0.00 0.00 0.97 0.00 0.00 98 G 8.90 3.75 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 0.00 0.00 0.00 99 V 8.13 3.93 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 1.07 0.00 0.00 1.21 0.00 0.00 100 C 7.98 4.97 0.00 3.19 3.11 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 0.00 101 K 8.02 4.44 0.00 1.88 1.83 0.00 1.86 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.64 7.81 102 E 7.60 3.84 0.00 2.07 2.03 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 2.24 2.26 0.00 103 R 8.22 4.44 0.00 1.90 1.97 0.00 3.20 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 104 V 6.96 4.36 2.20 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 0.79 0.00 0.00 1.06 0.00 0.00 105 P 0.00 4.36 0.00 2.08 2.16 0.00 3.78 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 106 R 7.02 4.59 0.00 1.85 1.90 0.00 2.99 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.47 0.00 107 H 8.89 4.81 0.00 3.33 3.32 0.00 5.74 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 0.00 108 R 8.11 5.20 0.00 1.80 1.73 0.00 3.14 0.00 0.00 2.46 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 *110 E 8.47 4.03 0.00 1.96 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.28 0.00 111 T 8.60 4.48 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 0.37 0.00 0.00 112 K 8.75 3.71 0.00 1.72 1.86 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.41 7.81 113 A 7.54 4.30 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 6.81 4.75 0.00 2.95 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 0.00 115 T 8.46 4.96 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 1.25 0.00 0.00 116 L 8.72 5.58 0.00 1.68 1.62 0.68 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 117 D 9.10 5.28 0.00 2.71 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 0.00 118 F 9.15 5.83 0.00 2.98 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 0.00 119 E 8.77 4.92 0.00 2.05 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 2.17 2.26 0.00 120 K 8.43 4.29 0.00 1.66 1.60 0.00 1.67 0.00 0.00 1.50 0.00 0.00 2.47 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.01 0.63 7.81 121 S 9.37 4.53 0.00 3.70 3.75 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 0.00 122 A 8.50 3.73 1.25 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 0.00 123 Q 7.71 4.43 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.52 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 124 G 6.93 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 0.00 125 Y 8.06 5.25 0.00 3.14 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 0.00 126 H 9.03 5.07 0.00 3.20 3.06 0.00 5.54 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 0.00 127 L 9.90 5.64 0.00 1.96 1.69 1.05 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 128 H 9.31 5.38 0.00 3.29 3.32 0.00 5.83 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 0.00 129 G 7.30 4.74 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 0.00 0.00 0.00 130 K 8.14 5.09 0.00 1.73 1.72 0.00 1.65 0.00 0.00 1.85 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.68 1.53 7.81 131 V 8.53 4.81 1.86 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 0.63 0.00 0.00 0.62 0.00 0.00 132 H 8.25 5.03 0.00 3.02 3.23 0.00 5.71 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 0.00 133 R 8.52 4.46 0.00 1.82 2.01 0.00 3.23 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 134 V 7.75 3.55 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 0.65 0.00 0.00 0.94 0.00 0.00 135 A 8.41 3.73 1.28 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 0.00 136 S 7.24 4.49 0.00 3.78 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 0.00 137 Q 8.84 4.07 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 138 R 7.74 4.00 0.00 1.81 1.93 0.00 3.25 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 *140 E 8.28 4.26 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 141 D 8.81 5.08 0.00 2.65 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 0.00 142 W 9.37 5.46 0.00 3.33 3.14 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 0.00 143 S 5.81 5.31 0.00 3.91 3.75 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 0.00 144 V 6.95 4.19 1.73 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 0.21 0.00 0.00 0.62 0.00 0.00 145 K 8.10 5.14 0.00 1.44 1.86 0.00 1.64 0.00 0.00 0.61 0.00 0.00 2.41 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.03 0.98 7.81 146 F 8.92 4.76 0.00 3.09 3.37 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 0.00 147 D 8.38 4.75 0.00 2.80 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 0.00 148 N 8.89 4.24 0.00 2.80 2.03 0.00 0.00 7.16 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 0.00 149 H 8.85 4.06 0.00 3.17 3.45 0.00 5.46 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 F 8.25 4.64 0.00 3.33 3.28 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 0.00 151 A 8.34 4.37 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 0.00 0.00 152 V 7.93 3.76 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 1.13 0.00 0.00 0.97 0.00 0.00 153 T 7.88 3.75 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 1.13 0.00 0.00 154 L 8.02 3.68 0.00 1.97 1.76 0.46 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 155 E 9.30 3.87 0.00 2.31 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.89 0.00 156 H 8.34 3.99 0.00 3.45 3.36 0.00 5.65 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 0.00 157 F 8.67 3.91 0.00 3.05 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 L 8.11 4.04 0.00 1.93 1.71 0.86 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 159 E 8.10 3.95 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.61 0.00 160 S 8.78 4.14 0.00 3.74 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 0.00 161 A 8.18 3.71 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 0.00 162 L 8.13 4.31 0.00 1.79 1.65 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 163 D 7.81 4.57 0.00 2.87 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 0.00 164 E 8.42 4.60 0.00 1.83 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 2.21 2.37 0.00 165 S 7.19 4.71 0.00 3.92 3.99 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 0.00 166 F 8.03 4.76 0.00 3.42 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 0.00 167 G 8.06 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 0.00 168 F 7.91 4.23 0.00 3.04 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 0.00 169 R 8.06 3.78 0.00 1.89 1.97 0.00 3.21 0.00 0.00 3.35 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.80 0.00 170 Q 8.12 4.07 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.87 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 171 H 8.11 4.32 0.00 3.32 3.63 0.00 5.93 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 Y 8.45 4.61 0.00 3.12 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 0.00 173 A 7.56 4.28 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.