NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.5019 8.1749 117.3742 63.5130 70.1258 172.9967 2 S 4.6068 9.6957 121.1183 55.0989 66.4856 171.6077 3 I 5.2357 8.1943 117.9426 59.7795 41.1256 173.7909 4 M 4.8849 8.7510 119.4596 54.4659 34.9010 173.1726 5 A 5.1147 8.4344 120.7547 50.2984 22.4662 175.5959 6 V 4.5024 8.9009 122.0214 61.1726 34.5808 175.1956 7 T 4.7329 8.7525 118.3041 61.4419 70.1145 173.6015 8 F 4.8925 8.9205 117.4991 55.5061 41.1138 174.5235 9 K 3.7052 9.1131 121.0935 60.0693 31.5378 177.0139 10 D 4.6456 8.0583 114.2364 53.3223 42.3745 175.5468 11 G 4.2484 5.3800 112.8043 44.4457 0.0000 176.2706 12 V 5.1518 7.8758 121.5844 60.2809 33.7578 172.6959 13 I 4.7042 8.8765 122.0810 59.6206 40.7420 174.4356 14 L 5.1584 8.5048 124.8088 53.2440 44.3298 175.9558 15 G 4.3356 8.8758 107.8921 45.2767 0.0000 171.2439 16 A 5.1387 8.1246 120.6255 50.9906 22.0851 175.7459 17 D 4.7939 8.5533 120.5700 52.2060 41.7769 176.0024 18 S 5.0086 8.2776 110.9232 57.3276 63.5453 173.2609 19 R 5.2350 8.5821 120.7561 55.8168 32.2697 174.9464 20 T 4.7853 8.8414 116.1124 60.0713 71.5111 173.0006 21 T 5.0982 8.6619 115.4215 60.0968 71.9406 174.3253 22 T 4.5000 8.5950 112.3274 59.9783 69.8225 174.6463 23 G 4.1728 8.3928 121.5041 46.9213 0.0000 172.6411 24 A 4.3147 8.5561 125.7087 52.6570 19.5007 176.7817 25 Y 4.3128 7.6332 117.3658 56.8428 39.5060 174.6935 26 I 4.0968 7.1377 127.5675 59.7247 36.7288 175.4633 27 A 4.1255 8.2402 130.2494 54.3391 18.7313 177.5813 28 N 4.8642 7.9518 113.3552 52.2959 41.8201 174.5579 29 R 4.6701 8.6341 120.4803 56.2576 30.2095 176.2764 30 V 4.5892 8.5742 111.7299 61.4554 32.6958 176.1160 31 T 3.9654 8.1746 117.1915 64.1167 69.7495 173.2546 32 D 4.8401 8.6184 124.3034 52.7826 42.2930 175.6310 33 K 4.3331 8.6916 124.4933 56.8150 33.6008 176.3910 34 L 4.8375 8.1364 121.2367 53.9993 42.1768 175.9196 35 T 4.5705 8.7535 121.5064 61.5453 71.3293 173.7818 36 R 3.3339 7.7761 126.1337 55.0626 30.5313 176.2733 37 V 4.1474 7.9299 118.6825 61.5246 33.5160 174.6585 38 H 4.5361 7.5563 117.5111 55.2218 32.4833 173.8369 39 D 4.5782 8.5653 123.0021 57.3128 40.6639 179.4359 40 K 5.0275 8.1105 117.3057 56.0359 33.8355 176.0563 41 I 5.0938 8.3782 120.8603 59.9567 41.0570 174.8788 42 W 5.3647 9.7667 127.1284 54.8469 33.4758 174.1787 43 C 5.3343 9.5028 114.8809 57.0788 33.2935 172.5569 44 C 5.2917 9.1398 117.7517 58.1874 30.3108 173.0368 45 R 5.1151 8.4453 122.6152 54.4747 31.8242 175.7306 46 S 4.6076 9.0534 117.3427 56.4417 66.9614 174.0469 47 G 4.1934 9.0114 105.6524 44.4182 0.0000 175.7120 48 S 4.2900 9.8341 120.8779 57.3496 63.0528 174.5940 49 A 3.9770 8.8323 129.6626 55.1885 18.2644 179.3131 50 A 3.9589 7.9503 118.7913 55.4090 18.4727 179.4612 51 D 4.2965 8.5805 117.9578 57.8263 40.9352 179.1387 52 T 3.9730 8.2039 110.5095 64.8470 68.6254 176.4571 53 Q 3.9489 8.3123 120.5283 58.8084 28.9447 178.3828 54 A 4.0374 7.9864 121.6766 55.2851 18.2997 179.7150 55 I 3.6211 8.2256 118.2404 64.4570 37.2342 178.3312 56 A 4.0196 8.4388 121.8442 55.5541 18.3014 179.1437 57 D 4.3649 8.5843 117.5401 57.9122 40.8066 179.5222 58 I 3.8354 7.7217 119.7862 64.2339 37.0758 178.6218 59 V 3.3761 7.8194 119.3296 65.8564 31.2469 177.7561 60 Q 4.1552 8.3243 121.0510 58.6898 28.8527 177.6592 61 Y 4.1053 7.9416 120.3048 61.2243 38.8713 177.8113 62 H 3.7215 8.4412 117.2607 58.8777 28.7241 177.8188 63 L 4.0845 8.3440 120.9714 57.2108 41.3978 179.1854 64 E 3.9039 8.1763 119.7210 59.2457 29.2246 178.6491 65 L 3.8563 7.6431 120.4061 57.9085 41.9687 178.2871 66 Y 3.9067 7.8845 119.7247 60.9337 38.5660 178.0871 67 T 4.6345 7.9297 116.7648 66.4822 68.6742 176.3811 68 S 4.1559 7.8017 115.6896 61.1200 62.8136 175.9236 69 Q 4.1029 6.9505 118.3662 56.4231 29.6355 176.0485 70 Y 4.4552 7.4800 114.8439 57.7294 39.3892 175.3931 *72 G 4.2098 7.5031 108.7782 45.3904 0.0000 172.0536 73 T 4.2971 8.5259 115.7445 63.3225 68.7786 172.5153 74 P 4.5110 0.0000 0.0000 61.8195 32.8754 176.6544 75 S 4.3853 8.1009 115.0379 58.3119 64.9980 175.3768 76 T 3.8653 8.3756 119.8861 66.8615 68.1994 176.3165 77 E 3.9331 8.1346 120.6667 59.7440 29.7170 178.9410 78 T 3.8028 7.8452 115.4644 66.3609 68.3995 176.6071 79 A 3.8991 7.9266 122.3969 55.1658 18.3951 179.5794 80 A 4.1648 8.2136 119.2799 55.3218 18.3310 179.8551 81 S 4.0365 8.0394 111.9905 61.4149 62.5720 176.5720 82 V 3.5192 7.7639 120.9799 65.7588 31.1592 177.9853 83 F 4.0351 8.1836 117.6075 60.4319 38.7962 177.2749 84 K 3.9095 8.3903 119.3533 59.6596 31.9509 177.9558 85 E 3.9871 8.3330 119.3803 59.6307 29.0127 178.9566 86 L 4.0452 7.8408 118.2551 58.0364 41.4511 179.3815 87 C 4.2841 8.2779 115.9894 62.7167 28.4275 175.3418 88 Y 4.2449 8.7874 121.4918 60.8476 38.3459 177.5038 89 E 3.9842 8.1993 118.3811 58.0636 30.0756 176.6432 90 N 5.0488 7.6900 115.6090 52.3761 39.6156 176.5270 91 K 4.0422 7.6939 120.2753 60.1412 32.7189 177.9233 92 D 4.2911 7.9131 118.7300 56.9711 40.9578 177.3904 *94 N 5.1242 7.8956 113.4345 52.4812 40.2030 173.6914 95 L 5.1101 7.4555 116.5039 53.4110 45.1511 176.8450 96 T 4.6986 8.5180 116.4194 61.5468 70.1229 171.0744 97 A 4.9488 8.3045 124.4248 49.9641 22.4709 175.2057 98 G 4.0677 9.3927 111.2090 44.7230 0.0000 172.3087 99 I 5.0990 8.3270 126.2954 59.2720 40.6499 175.0442 100 I 4.3606 8.3711 126.9485 59.4973 39.6011 174.5727 101 V 4.6064 8.3161 126.9706 61.3138 33.0894 174.7710 102 A 4.7912 9.4128 129.3605 50.2769 22.0538 175.0437 103 G 4.6046 8.7394 108.1027 44.1388 0.0000 170.9946 104 Y 4.6968 8.9473 122.6132 55.4478 40.7605 175.2417 105 D 4.2699 7.8178 124.9225 54.1837 41.5216 175.3202 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 1 T 8.17 4.50 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 2 S 9.70 4.61 0.00 3.70 3.70 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 3 I 8.19 5.24 1.87 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 1.40 0.61 0.92 0.00 0.00 4 M 8.75 4.88 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 5 A 8.43 5.11 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.90 4.50 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.93 0.00 0.00 7 T 8.75 4.73 4.27 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 1.24 0.00 0.00 8 F 8.92 4.89 0.00 3.21 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 9 K 9.11 3.71 0.00 1.82 2.06 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.80 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.43 1.52 7.81 10 D 8.06 4.65 0.00 2.47 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 5.38 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 12 V 7.88 5.15 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 0.78 0.00 0.00 1.05 0.00 0.00 13 I 8.88 4.70 1.81 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 1.34 0.63 0.83 0.00 0.00 14 L 8.50 5.16 0.00 1.42 1.56 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.88 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.12 5.14 1.19 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 17 D 8.55 4.79 0.00 2.72 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 18 S 8.28 5.01 0.00 3.93 4.05 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.58 5.23 0.00 1.78 2.03 0.00 3.17 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.48 0.00 20 T 8.84 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 21 T 8.66 5.10 4.48 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 1.17 0.00 0.00 22 T 8.60 4.50 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 1.27 0.00 0.00 23 G 8.39 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.56 4.31 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 7.63 4.31 0.00 3.08 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 26 I 7.14 4.10 1.52 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 1.18 0.80 0.79 0.00 0.00 27 A 8.24 4.13 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 28 N 7.95 4.86 0.00 2.71 2.59 0.00 0.00 6.77 7.53 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 29 R 8.63 4.67 0.00 1.90 1.93 0.00 3.00 0.00 0.00 3.18 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 30 V 8.57 4.59 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 1.00 0.00 0.00 31 T 8.17 3.97 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 1.23 0.00 0.00 32 D 8.62 4.84 0.00 2.70 2.63 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 33 K 8.69 4.33 0.00 1.78 1.98 0.00 1.83 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.49 7.81 34 L 8.14 4.84 0.00 1.89 1.88 0.97 0.73 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 35 T 8.75 4.57 4.30 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 1.17 0.00 0.00 36 R 7.78 3.33 0.00 0.67 1.04 0.00 3.05 0.00 0.00 2.91 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.57 0.00 37 V 7.93 4.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.09 0.00 0.00 38 H 7.56 4.54 0.00 3.13 3.14 0.00 5.90 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.57 4.58 0.00 2.71 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 40 K 8.11 5.03 0.00 1.84 1.97 0.00 1.80 0.00 0.00 2.11 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.58 7.81 41 I 8.38 5.09 1.99 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 1.34 0.80 1.04 0.00 0.00 42 W 9.77 5.36 0.00 3.20 3.26 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 43 C 9.50 5.33 0.00 2.70 2.90 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 44 C 9.14 5.29 0.00 2.81 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 45 R 8.45 5.12 0.00 1.73 1.86 0.00 3.17 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 46 S 9.05 4.61 0.00 3.85 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 47 G 9.01 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 48 S 9.83 4.29 0.00 3.83 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.83 3.98 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 50 A 7.95 3.96 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 51 D 8.58 4.30 0.00 2.68 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 52 T 8.20 3.97 4.30 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 1.29 0.00 0.00 53 Q 8.31 3.95 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 54 A 7.99 4.04 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.23 3.62 2.18 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.74 1.10 0.00 0.00 56 A 8.44 4.02 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.58 4.36 0.00 2.82 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 58 I 7.72 3.84 2.01 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 1.40 0.97 1.03 0.00 0.00 59 V 7.82 3.38 1.66 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 0.54 0.00 0.00 -0.15 0.00 0.00 60 Q 8.32 4.16 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.21 0.00 61 Y 7.94 4.11 0.00 3.10 3.13 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 62 H 8.44 3.72 0.00 3.36 3.25 0.00 5.67 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 63 L 8.34 4.08 0.00 1.62 1.63 0.90 0.47 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 64 E 8.18 3.90 0.00 2.15 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 2.28 2.31 0.00 65 L 7.64 3.86 0.00 1.40 1.36 0.82 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 7.88 3.91 0.00 3.31 3.10 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 67 T 7.93 4.63 4.45 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 1.28 0.00 0.00 68 S 7.80 4.16 0.00 3.87 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 69 Q 6.95 4.10 0.00 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.98 0.00 0.00 0.00 0.00 0.00 1.97 2.14 0.00 70 Y 7.48 4.46 0.00 2.30 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 *72 G 7.50 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 0.00 0.00 0.00 0.00 73 T 8.53 4.30 4.32 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 1.29 0.00 0.00 74 P 0.00 4.51 0.00 1.72 1.17 0.00 3.59 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 75 S 8.10 4.39 0.00 4.03 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 76 T 8.38 3.87 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 77 E 8.13 3.93 0.00 2.00 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 2.35 2.39 0.00 78 T 7.85 3.80 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 0.81 0.00 0.00 79 A 7.93 3.90 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.21 4.16 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.04 4.04 0.00 4.00 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 82 V 7.76 3.52 2.05 0.00 0.00 0.00 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 0.85 0.00 0.00 83 F 8.18 4.04 0.00 3.32 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 84 K 8.39 3.91 0.00 1.96 2.04 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.64 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.47 1.60 7.81 85 E 8.33 3.99 0.00 2.32 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 2.32 2.46 0.00 86 L 7.84 4.05 0.00 1.98 1.74 0.85 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 87 C 8.28 4.28 0.00 3.05 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 88 Y 8.79 4.24 0.00 2.92 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 89 E 8.20 3.98 0.00 2.36 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 2.37 2.41 0.00 90 N 7.69 5.05 0.00 2.95 2.74 0.00 0.00 6.56 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.69 4.04 0.00 1.83 2.08 0.00 1.45 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.38 1.33 7.81 92 D 7.91 4.29 0.00 2.73 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 *94 N 7.90 5.12 0.00 2.73 2.89 0.00 0.00 7.07 7.85 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 95 L 7.46 5.11 0.00 1.69 1.55 0.99 0.75 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 96 T 8.52 4.70 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 1.22 0.00 0.00 97 A 8.30 4.95 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 98 G 9.39 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 99 I 8.33 5.10 1.63 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 1.31 0.99 0.34 0.00 0.00 100 I 8.37 4.36 1.84 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 1.08 0.74 0.89 0.00 0.00 101 V 8.32 4.61 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 0.85 0.00 0.00 0.60 0.00 0.00 102 A 9.41 4.79 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 0.00 103 G 8.74 4.60 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 0.00 0.00 0.00 104 Y 8.95 4.70 0.00 2.97 2.90 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 0.00 105 D 7.82 4.27 0.00 2.46 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 * Residues marked with a * may have inaccurate shift predictions.