NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4435 8.3193 116.7983 59.1184 63.6179 173.8896 5 D 4.5663 8.7201 125.7127 53.6788 39.9147 172.9953 6 E 4.4414 8.6063 120.4223 54.8858 33.7476 176.0087 7 R 4.6163 8.2147 122.2817 54.1972 32.8380 175.2946 8 F 4.9691 8.2838 118.8428 55.4451 42.2641 175.8683 9 L 4.2906 8.7645 123.2651 57.1130 41.8546 177.5954 10 C 5.3288 8.0323 115.3060 54.8853 38.7685 174.3451 11 R 4.4911 8.6200 123.2769 56.2141 31.0301 175.7309 12 S 5.1093 8.4284 116.5625 57.2321 66.8471 172.9190 13 I 4.6010 9.1287 120.8942 59.5469 40.2268 174.9284 14 R 5.1732 8.4922 125.5177 54.5318 32.3695 175.2977 15 K 4.5036 8.7777 121.2096 56.4636 36.6061 173.8481 16 L 5.0955 8.3746 119.7176 53.2154 43.6264 176.6371 17 V 4.5288 8.6261 121.9360 61.3369 35.2951 173.5541 18 Y 4.8806 8.5851 124.3675 55.1256 39.4217 173.7762 19 P 4.1244 0.0000 0.0000 62.9428 31.4264 177.1850 20 K 3.5709 8.6367 124.6142 57.7838 32.4015 176.0014 21 K 4.5362 7.4676 119.7335 54.5181 33.8748 174.7393 22 G 4.0354 8.1442 117.4393 44.5095 0.0000 172.3941 *37 E 4.2429 8.6749 120.2606 56.2918 30.9666 174.9271 38 Y 4.7171 8.2090 115.1951 57.0069 40.9329 175.0944 39 K 4.5991 8.5471 120.6402 54.8643 34.1838 176.0220 40 Q 4.4010 8.7044 123.4546 54.5617 29.5987 174.4861 41 A 4.2376 8.2319 127.1885 50.5693 21.0277 175.7621 42 I 4.3109 8.4748 121.5074 59.8273 39.2548 175.2277 43 Q 4.8419 8.6119 126.3885 55.4770 29.7286 175.2291 44 I 4.8610 8.9161 116.3770 59.1350 41.8968 173.8552 45 E 5.0362 8.6688 123.2810 54.7576 31.9513 174.3871 46 E 4.9189 9.3877 127.0592 54.4259 32.7846 174.9554 47 C 4.4914 9.6137 122.1332 57.0699 40.1346 173.3220 48 E 3.8752 9.0147 126.4859 58.8036 29.7691 177.8359 49 G 3.9263 7.9022 110.5868 42.7204 0.0000 169.9720 50 A 3.9057 8.0240 126.3648 53.7776 18.8745 177.9256 51 D 4.6160 9.2622 122.4162 54.6802 39.5195 174.3572 52 Q 4.4282 7.5048 119.0267 54.3512 30.2816 173.7874 53 P 5.4727 0.0000 0.0000 63.0277 32.2243 176.7111 54 C 4.7359 8.6687 119.1290 55.8765 42.0871 173.0706 55 D 4.4904 8.3585 121.3932 56.3444 41.1869 177.0064 56 F 3.8644 8.5702 118.3797 58.3756 36.7203 177.0471 57 A 4.2424 8.0314 126.4799 55.3461 18.2293 180.6701 58 A 4.2301 8.0981 117.2722 54.9765 18.4737 177.8470 59 N 4.6058 8.2239 111.4957 53.9177 38.9945 175.0189 60 F 4.8827 8.1531 117.5872 54.4370 41.4836 173.7272 61 P 4.2406 0.0000 0.0000 62.9003 31.5275 177.5342 62 Q 4.0985 8.4280 119.7611 57.3905 28.8639 177.3563 63 S 4.0973 7.2372 113.1234 61.0948 62.2973 175.0157 64 Y 4.4619 6.5233 122.8777 54.5596 36.7122 172.4921 65 N 4.2151 8.3826 124.2066 53.8429 39.0692 172.5916 66 P 4.7192 0.0000 0.0000 62.5725 32.4212 175.7457 67 I 5.0314 8.3853 117.5815 59.0266 41.8064 174.0196 68 C 4.9719 8.7962 121.6076 56.7025 35.4595 172.7045 69 K 4.7748 8.9451 124.6448 54.6715 34.0278 175.4792 70 Q 4.4927 8.4274 125.7722 55.4878 30.1771 174.3378 71 H 5.0332 8.7224 122.7624 54.2168 32.5210 172.3820 72 Y 5.3908 8.5010 116.9366 56.5513 42.1011 174.4964 73 T 4.8639 8.7928 110.3673 60.1975 72.5562 172.7534 74 Q 4.9147 8.3656 119.5003 53.8544 33.2135 175.2145 75 Q 4.1710 8.8063 121.2685 56.8087 29.9619 175.5391 76 T 5.0513 8.4840 119.5636 61.7608 72.0411 173.0501 77 L 4.8440 9.3785 126.4477 52.8420 44.2402 175.4664 78 A 5.2720 8.6219 124.5127 50.1960 22.3900 175.0272 79 S 4.6011 9.2254 114.6185 56.5999 66.3008 172.7256 80 I 4.8583 8.3084 127.2405 59.4734 38.8476 175.9462 81 K 4.3494 9.1350 128.0945 55.3850 32.9343 178.3381 82 S 4.1386 8.5417 114.1524 61.0696 62.8691 174.7162 83 D 4.6007 8.1411 118.6056 52.8657 39.3439 177.2702 84 G 3.9221 8.1365 108.2206 45.4101 0.0000 173.9274 85 E 3.8965 8.1523 121.4642 56.0499 30.1173 174.9735 86 L 4.9554 8.3959 128.1574 53.8203 43.3533 174.6992 87 D 4.8800 9.5392 128.4613 52.7849 42.8921 175.2302 88 V 4.9636 8.4293 119.0867 59.4996 34.5428 175.1626 89 V 4.4596 9.3045 125.6615 61.1510 34.0367 174.1792 90 Q 5.1350 8.5177 125.8198 53.6385 31.7611 174.8511 91 N 4.4472 8.7344 122.4354 53.9388 39.5444 176.2569 92 S 4.1481 8.9012 121.4337 60.8736 63.2821 174.1319 93 F 4.4228 7.6332 123.3663 57.0916 39.0026 175.0088 94 K 4.1092 7.7498 127.9072 56.0694 33.2156 176.6530 95 I 4.3541 8.3264 124.6423 58.6914 39.6659 173.4502 96 P 4.5488 0.0000 0.0000 63.2508 31.5054 177.1719 97 S 4.5502 9.2040 117.8643 58.5214 65.5189 174.2079 98 C 4.6454 7.7118 120.3846 58.0210 34.9352 173.0844 99 C 5.2412 9.4208 127.7439 54.7751 43.2198 172.5759 100 K 4.7953 8.4442 124.6048 54.7251 36.3786 174.2671 101 C 4.9524 8.7666 120.8617 56.0897 38.9694 172.1635 102 A 4.8250 9.1408 128.6339 50.2047 20.9483 175.0989 103 L 4.6773 8.3440 122.3475 52.6051 43.7526 177.6910 104 K 4.4061 8.4874 125.2983 55.4995 31.6269 176.6925 105 T 4.6483 7.1258 123.0354 62.9825 69.0502 175.0458 106 G 3.7179 8.4566 119.5346 47.0177 0.0000 171.8863 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 S 8.32 4.44 0.00 3.90 3.82 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 5 D 8.72 4.57 0.00 2.84 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 6 E 8.61 4.44 0.00 1.86 1.57 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 2.03 2.23 0.00 7 R 8.21 4.62 0.00 1.70 1.83 0.00 3.21 0.00 0.00 3.31 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 8 F 8.28 4.97 0.00 3.04 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 9 L 8.76 4.29 0.00 1.80 1.83 0.99 1.04 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 10 C 8.03 5.33 0.00 2.83 2.97 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 11 R 8.62 4.49 0.00 1.78 1.86 0.00 3.12 0.00 0.00 3.40 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 12 S 8.43 5.11 0.00 3.85 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 13 I 9.13 4.60 1.86 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 1.22 0.92 0.91 0.00 0.00 14 R 8.49 5.17 0.00 1.64 1.79 0.00 3.29 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 15 K 8.78 4.50 0.00 1.81 1.89 0.00 1.29 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.43 7.81 16 L 8.37 5.10 0.00 1.50 1.36 0.91 0.72 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 17 V 8.63 4.53 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 1.04 0.00 0.00 1.00 0.00 0.00 18 Y 8.59 4.88 0.00 2.88 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 19 P 0.00 4.12 0.00 2.21 2.22 0.00 3.78 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 2.14 2.00 0.00 20 K 8.64 3.57 0.00 1.60 1.77 0.00 1.58 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.44 7.81 21 K 7.47 4.54 0.00 1.52 1.64 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.33 7.81 22 G 8.14 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 0.00 0.00 0.00 *37 E 8.67 4.24 0.00 2.05 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 0.00 2.26 2.19 0.00 38 Y 8.21 4.72 0.00 2.90 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 39 K 8.55 4.60 0.00 1.94 2.02 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.31 7.81 40 Q 8.70 4.40 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 41 A 8.23 4.24 0.51 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 42 I 8.47 4.31 1.85 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 1.19 1.04 0.93 0.00 0.00 43 Q 8.61 4.84 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 44 I 8.92 4.86 1.98 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 1.26 0.95 0.95 0.00 0.00 45 E 8.67 5.04 0.00 1.88 1.81 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 2.10 2.17 0.00 46 E 9.39 4.92 0.00 1.87 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 0.00 2.22 2.23 0.00 47 C 9.61 4.49 0.00 2.76 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.01 3.88 0.00 2.00 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 0.00 2.32 2.27 0.00 49 G 7.90 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 50 A 8.02 3.91 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 D 9.26 4.62 0.00 2.79 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 52 Q 7.50 4.43 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.68 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 53 P 0.00 5.47 0.00 1.94 2.02 0.00 3.72 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 54 C 8.67 4.74 0.00 2.92 3.16 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 0.00 55 D 8.36 4.49 0.00 2.88 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 56 F 8.57 3.86 0.00 3.52 3.27 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 57 A 8.03 4.24 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 4.23 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 59 N 8.22 4.61 0.00 2.73 2.68 0.00 0.00 6.81 6.91 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 60 F 8.15 4.88 0.00 3.17 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 61 P 0.00 4.24 0.00 1.54 1.79 0.00 3.09 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 62 Q 8.43 4.10 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 63 S 7.24 4.10 0.00 3.73 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 64 Y 6.52 4.46 0.00 3.11 3.09 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 0.00 0.00 0.00 0.00 65 N 8.38 4.22 0.00 2.69 2.84 0.00 0.00 7.30 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 66 P 0.00 4.72 0.00 2.05 1.74 0.00 3.61 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 67 I 8.39 5.03 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 1.22 1.13 0.98 0.00 0.00 68 C 8.80 4.97 0.00 3.06 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 69 K 8.95 4.77 0.00 1.53 1.51 0.00 1.63 0.00 0.00 1.53 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.47 7.81 70 Q 8.43 4.49 0.00 1.88 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.78 0.00 0.00 0.00 0.00 0.00 1.93 1.51 0.00 71 H 8.72 5.03 0.00 3.06 3.03 0.00 5.61 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 72 Y 8.50 5.39 0.00 2.76 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 73 T 8.79 4.86 4.26 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 1.21 0.00 0.00 74 Q 8.37 4.91 0.00 1.90 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.94 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 75 Q 8.81 4.17 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.50 2.41 0.00 76 T 8.48 5.05 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 1.21 0.00 0.00 77 L 9.38 4.84 0.00 1.52 1.55 0.93 0.66 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 78 A 8.62 5.27 1.18 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 79 S 9.23 4.60 0.00 3.82 3.64 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 80 I 8.31 4.86 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 1.34 0.76 0.91 0.00 0.00 81 K 9.13 4.35 0.00 1.89 1.76 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.52 7.81 82 S 8.54 4.14 0.00 3.97 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 83 D 8.14 4.60 0.00 2.80 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 84 G 8.14 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 0.00 0.00 0.00 85 E 8.15 3.90 0.00 2.05 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 2.30 2.25 0.00 86 L 8.40 4.96 0.00 1.67 1.57 0.97 1.17 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 87 D 9.54 4.88 0.00 2.77 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 88 V 8.43 4.96 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 0.74 0.00 0.00 0.93 0.00 0.00 89 V 9.30 4.46 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 0.99 0.00 0.00 0.93 0.00 0.00 90 Q 8.52 5.13 0.00 1.93 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 91 N 8.73 4.45 0.00 2.88 2.75 0.00 0.00 6.98 7.64 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 92 S 8.90 4.15 0.00 3.95 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 93 F 7.63 4.42 0.00 3.05 3.22 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 94 K 7.75 4.11 0.00 1.01 1.22 0.00 1.11 0.00 0.00 1.37 0.00 0.00 2.41 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.14 7.81 95 I 8.33 4.35 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.02 0.96 0.00 0.00 96 P 0.00 4.55 0.00 2.04 1.89 0.00 3.58 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.30 0.00 97 S 9.20 4.55 0.00 3.72 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 98 C 7.71 4.65 0.00 2.92 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 99 C 9.42 5.24 0.00 2.86 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 0.00 100 K 8.44 4.80 0.00 1.86 1.85 0.00 1.38 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.39 7.81 101 C 8.77 4.95 0.00 3.01 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 0.00 102 A 9.14 4.83 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 0.00 103 L 8.34 4.68 0.00 1.34 1.35 0.62 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.49 4.41 0.00 1.77 1.86 0.00 1.77 0.00 0.00 1.96 0.00 0.00 3.07 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.49 7.81 105 T 7.13 4.65 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 1.06 0.00 0.00 106 G 8.46 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.