NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3537 8.1733 120.0850 56.2999 34.8852 175.3767 4 I 4.4208 7.2057 118.8148 59.8621 38.2078 173.6996 5 R 5.9873 9.6946 129.0357 54.2766 32.7386 174.5702 6 I 5.2075 8.1783 116.9185 59.3567 41.1297 174.3829 7 K 4.8141 9.6660 126.0840 55.1870 35.4520 176.0519 8 L 4.8373 8.2878 122.0427 53.9070 44.4053 175.2299 9 R 5.1161 7.5694 131.4717 56.7209 32.0005 173.5318 10 G 3.6110 8.5827 109.3426 45.1996 0.0000 170.4634 11 F 5.1136 7.9285 113.0666 59.0997 42.1693 174.6703 12 D 4.4780 8.0577 125.5607 54.7512 40.5182 176.9565 13 H 4.3631 8.7231 120.2621 56.7556 28.1949 176.8406 14 K 3.8180 7.6097 123.0322 59.8225 32.4354 177.8968 15 T 4.1113 8.0273 110.2868 63.7631 69.1007 176.6665 16 L 3.8879 7.5844 124.4951 57.1865 42.3438 178.6629 17 D 4.3051 7.7243 117.1653 57.4603 41.1625 178.0022 18 A 3.9662 8.2867 121.7367 55.2015 18.2131 179.4235 19 S 4.1404 8.2195 111.6321 61.7507 62.5402 176.6635 20 A 3.9771 8.1559 123.8952 55.1465 17.8937 179.1139 21 Q 3.8694 8.3820 118.3473 59.4387 28.8259 178.9624 22 K 3.9998 8.5239 120.8789 59.2095 32.4623 178.6464 23 I 4.4657 7.7851 120.3412 60.4212 36.8372 176.3653 24 V 4.6010 7.3611 118.8465 64.5701 38.1506 175.7851 25 E 3.9500 7.8308 116.1888 58.4202 28.8592 177.5817 26 A 4.5107 7.9821 119.7271 51.9126 20.1045 177.7845 27 A 4.5033 7.7495 117.1940 52.3137 20.1318 178.9074 28 R 4.1785 7.9101 114.9599 58.7353 30.6785 178.8367 29 R 3.9410 7.9655 116.9175 58.8338 30.0274 176.7597 30 S 4.6571 7.5575 108.8079 58.2040 64.2460 172.7654 31 G 4.1748 7.7721 109.0776 44.3169 0.0000 177.5226 32 A 3.9429 8.7928 126.1053 51.0785 19.1286 177.5957 33 Q 4.4495 8.3613 118.9152 55.7543 30.6515 174.8956 34 V 4.9249 7.9537 118.8093 61.4989 35.2451 174.4535 35 S 4.5271 8.8427 120.1254 57.3294 63.3896 173.9152 36 G 3.8375 8.5109 113.4782 42.5387 0.0000 169.6827 37 P 4.4090 0.0000 0.0000 62.7686 32.1899 175.5667 38 I 4.2268 9.2223 120.5814 59.1272 39.2060 173.5722 39 P 5.0309 0.0000 0.0000 61.4315 30.8955 175.7530 40 L 4.4910 8.2560 127.0122 54.2184 41.8820 174.8866 41 P 4.3437 0.0000 0.0000 63.7640 31.4553 175.3182 42 T 4.5628 8.1562 115.6511 62.2893 70.3076 174.3355 43 R 4.5093 8.1810 124.0400 55.0929 31.8833 175.6680 44 V 4.5930 8.3849 122.6032 61.1615 34.7766 175.3283 45 R 4.5683 8.2386 125.0292 54.6721 31.6465 174.4324 46 R 4.6749 8.3042 122.5341 54.2654 32.5437 176.0463 47 F 4.9633 7.7376 116.8599 56.1451 41.3983 173.6010 48 T 4.8237 8.7021 119.4769 62.5298 70.0431 174.0982 49 V 4.4964 8.1386 122.2869 61.5775 35.7839 174.3853 50 I 4.2102 8.5200 127.1443 60.7959 36.0284 176.3118 51 R 3.6347 8.0460 123.2489 59.4356 30.6005 177.3115 52 G 3.9744 7.8668 108.5801 45.8342 0.0000 170.6511 53 P 4.8236 0.0000 0.0000 62.1629 31.7215 175.9121 54 F 5.0910 7.8582 117.6055 58.8019 41.0767 175.0133 55 K 4.1488 8.1038 129.3783 56.1252 35.3341 176.9223 56 H 4.7189 8.3889 122.1603 54.2998 30.6914 175.8573 57 K 3.7959 7.9401 118.9120 58.8177 32.7820 177.0145 58 D 4.7019 8.0928 119.1324 52.7432 42.7355 176.0956 59 S 3.8683 8.7497 110.5435 59.0512 62.0596 173.8880 60 R 4.2489 7.1672 116.7837 57.1906 29.7593 174.6716 61 E 4.5893 9.6527 117.8807 55.8325 33.2446 174.8024 62 H 5.1197 8.7020 121.9771 53.8237 31.8989 172.7771 63 F 5.1600 8.4436 118.5009 55.6316 42.7215 173.5879 64 E 4.9279 8.3910 115.9866 53.6289 32.6086 176.0016 65 L 4.5418 7.7541 120.5574 53.3761 42.4384 173.7122 66 R 4.0312 7.9894 118.2169 56.9001 31.4136 177.5367 67 T 4.8561 8.6091 122.9181 62.3860 68.8226 173.4288 68 H 4.5849 8.6984 123.3041 55.6367 30.1871 173.9806 69 N 5.5950 8.5670 118.6764 51.8871 42.1658 173.8815 70 R 4.6850 8.4341 119.0120 55.4440 34.1540 173.4700 71 L 4.9912 9.0206 128.3065 53.7399 45.2236 174.9857 72 V 4.7671 7.9296 120.9655 62.4221 35.7042 171.9569 73 D 5.0218 8.5972 124.7052 52.9848 45.0208 174.7068 74 I 4.3959 7.9789 117.4970 59.9473 38.7954 176.6973 75 I 3.5807 8.1086 118.4611 63.2118 37.8422 175.2549 76 N 4.8597 7.7706 119.5116 49.9503 40.5320 173.0962 77 P 4.5202 0.0000 0.0000 62.2904 30.2615 175.6210 78 N 4.6782 8.1902 123.5198 53.0954 40.8286 175.9960 79 R 4.0270 8.4765 122.4483 59.0625 30.2802 178.7023 80 K 3.9804 8.1178 120.0301 59.2186 32.2812 178.1529 81 T 3.9087 7.9469 109.1631 65.3888 68.5000 175.6260 82 I 3.5946 7.4061 122.6852 63.9552 37.1111 177.2418 83 E 3.9000 7.8467 119.5724 60.2383 29.4257 178.2706 84 Q 4.0223 8.3930 116.8246 58.4913 28.2363 178.8586 85 L 3.6721 8.0714 122.2262 58.8565 42.5144 177.7491 86 M 4.0311 8.0970 120.8553 58.5214 32.4632 177.7131 87 T 4.3466 7.5724 105.5584 61.5927 70.5190 174.4545 88 L 4.2968 8.0708 126.7765 54.3575 41.1191 178.2588 89 D 4.5803 7.6133 119.1452 53.7602 40.5899 177.1064 90 L 4.6887 7.9754 129.2076 52.9238 42.1403 175.8884 91 P 4.6496 0.0000 0.0000 61.2687 32.0462 175.7102 92 T 3.9466 8.6844 118.4833 64.6883 67.3326 175.3886 93 G 4.1092 7.7593 105.8779 45.0292 0.0000 172.0933 94 V 4.1622 7.6321 119.3879 61.5666 33.5512 174.5565 95 E 4.8513 8.3125 122.8552 54.4208 33.1409 173.6783 96 I 5.6422 8.2178 118.6249 58.2091 40.6112 174.0932 97 E 4.8336 8.8206 124.3289 54.5852 32.6818 174.8103 98 I 5.0930 8.2583 122.7839 59.9306 40.8464 174.9636 99 K 4.5997 9.5009 125.1716 56.2515 36.7633 175.7699 100 T 5.6051 8.2853 109.5173 62.0864 69.2117 174.5796 *101 V 3.9054 7.9093 126.1589 61.7055 32.3498 175.4106 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 3 K 8.17 4.35 0.00 1.73 1.92 0.00 1.62 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.71 7.81 4 I 7.21 4.42 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 1.11 0.98 0.92 0.00 0.00 5 R 9.69 5.99 0.00 1.77 1.76 0.00 3.08 0.00 0.00 3.41 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.77 0.00 6 I 8.18 5.21 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 1.00 0.91 0.00 0.00 7 K 9.67 4.81 0.00 1.64 1.73 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.37 1.53 7.81 8 L 8.29 4.84 0.00 1.73 1.54 1.02 0.93 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 9 R 7.57 5.12 0.00 1.60 1.65 0.00 3.06 0.00 0.00 3.07 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.35 0.00 10 G 8.58 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.93 5.11 0.00 3.04 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 12 D 8.06 4.48 0.00 2.79 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 13 H 8.72 4.36 0.00 3.22 2.91 0.00 5.45 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.61 3.82 0.00 1.63 1.80 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.42 7.81 15 T 8.03 4.11 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 16 L 7.58 3.89 0.00 1.70 1.72 0.93 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.72 4.31 0.00 3.15 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 18 A 8.29 3.97 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 19 S 8.22 4.14 0.00 4.05 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 0.00 20 A 8.16 3.98 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 21 Q 8.38 3.87 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 22 K 8.52 4.00 0.00 1.88 1.97 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.63 7.81 23 I 7.79 4.47 1.96 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 1.40 0.86 0.91 0.00 0.00 24 V 7.36 4.60 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 0.95 0.00 0.00 0.93 0.00 0.00 25 E 7.83 3.95 0.00 2.04 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 2.35 2.43 0.00 26 A 7.98 4.51 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 27 A 7.75 4.50 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 28 R 7.91 4.18 0.00 1.88 1.97 0.00 3.13 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 29 R 7.97 3.94 0.00 1.77 1.96 0.00 3.22 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 30 S 7.56 4.66 0.00 4.17 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 31 G 7.77 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 32 A 8.79 3.94 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 33 Q 8.36 4.45 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.72 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 34 V 7.95 4.92 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 0.83 0.00 0.00 0.93 0.00 0.00 35 S 8.84 4.53 0.00 3.92 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 36 G 8.51 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.41 0.00 1.95 2.09 0.00 3.67 0.00 0.00 3.71 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 38 I 9.22 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 1.47 0.95 0.98 0.00 0.00 39 P 0.00 5.03 0.00 2.11 2.16 0.00 3.77 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 40 L 8.26 4.49 0.00 1.68 1.73 0.93 0.77 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 41 P 0.00 4.34 0.00 2.19 2.12 0.00 3.75 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 2.00 2.01 0.00 42 T 8.16 4.56 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 1.12 0.00 0.00 43 R 8.18 4.51 0.00 1.84 1.86 0.00 3.23 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 44 V 8.38 4.59 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 0.89 0.00 0.00 45 R 8.24 4.57 0.00 1.99 1.99 0.00 3.50 0.00 0.00 3.26 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 46 R 8.30 4.67 0.00 1.59 1.66 0.00 3.13 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.49 0.00 47 F 7.74 4.96 0.00 3.19 3.20 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 0.00 0.00 0.00 0.00 48 T 8.70 4.82 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 1.06 0.00 0.00 49 V 8.14 4.50 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 0.99 0.00 0.00 1.06 0.00 0.00 50 I 8.52 4.21 1.89 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 1.42 0.93 0.94 0.00 0.00 51 R 8.05 3.63 0.00 1.80 1.93 0.00 3.26 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 52 G 7.87 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 53 P 0.00 4.82 0.00 2.23 2.19 0.00 3.81 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 54 F 7.86 5.09 0.00 2.82 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 55 K 8.10 4.15 0.00 1.09 1.31 0.00 0.61 0.00 0.00 1.12 0.00 0.00 2.42 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.83 0.35 7.81 56 H 8.39 4.72 0.00 3.14 3.17 0.00 5.66 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.94 3.80 0.00 1.70 1.89 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.77 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.41 7.81 58 D 8.09 4.70 0.00 2.71 2.58 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 59 S 8.75 3.87 0.00 4.06 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 60 R 7.17 4.25 0.00 2.11 2.00 0.00 3.01 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.45 0.00 61 E 9.65 4.59 0.00 1.93 1.65 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 1.56 2.00 0.00 62 H 8.70 5.12 0.00 2.99 3.14 0.00 5.54 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 63 F 8.44 5.16 0.00 2.76 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 64 E 8.39 4.93 0.00 1.78 1.72 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 2.11 2.05 0.00 65 L 7.75 4.54 0.00 1.79 1.68 0.47 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.99 4.03 0.00 1.75 1.74 0.00 3.25 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 67 T 8.61 4.86 4.49 0.00 0.00 0.00 0.00 0.00 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 68 H 8.70 4.58 0.00 3.21 3.28 0.00 5.75 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.57 5.59 0.00 2.57 2.69 0.00 0.00 6.73 7.66 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 70 R 8.43 4.68 0.00 1.91 1.73 0.00 3.04 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 71 L 9.02 4.99 0.00 1.73 1.46 1.01 0.72 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 72 V 7.93 4.77 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 0.87 0.00 0.00 0.93 0.00 0.00 73 D 8.60 5.02 0.00 2.56 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 74 I 7.98 4.40 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 1.35 1.11 0.91 0.00 0.00 75 I 8.11 3.58 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 1.46 0.59 0.91 0.00 0.00 76 N 7.77 4.86 0.00 2.65 2.72 0.00 0.00 6.99 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 77 P 0.00 4.52 0.00 2.22 2.08 0.00 3.81 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 78 N 8.19 4.68 0.00 2.83 2.76 0.00 0.00 7.03 7.66 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 79 R 8.48 4.03 0.00 1.78 1.99 0.00 3.38 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 80 K 8.12 3.98 0.00 1.86 1.85 0.00 1.64 0.00 0.00 1.87 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.57 7.81 81 T 7.95 3.91 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 1.26 0.00 0.00 82 I 7.41 3.59 2.05 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 1.71 1.15 0.91 0.00 0.00 83 E 7.85 3.90 0.00 2.01 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 0.00 2.31 2.38 0.00 84 Q 8.39 4.02 0.00 2.44 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.36 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 85 L 8.07 3.67 0.00 1.61 1.66 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 86 M 8.10 4.03 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.56 0.00 87 T 7.57 4.35 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 1.23 0.00 0.00 88 L 8.07 4.30 0.00 1.67 1.66 0.92 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 89 D 7.61 4.58 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 90 L 7.98 4.69 0.00 1.51 1.53 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.65 0.00 2.35 2.05 0.00 3.81 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.91 0.00 92 T 8.68 3.95 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 93 G 7.76 4.11 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 0.00 0.00 0.00 94 V 7.63 4.16 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 0.76 0.00 0.00 0.91 0.00 0.00 95 E 8.31 4.85 0.00 1.99 1.62 0.00 0.00 0.00 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 2.32 0.00 96 I 8.22 5.64 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.93 0.95 0.00 0.00 97 E 8.82 4.83 0.00 1.87 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 2.27 2.23 0.00 98 I 8.26 5.09 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 1.34 0.47 0.99 0.00 0.00 99 K 9.50 4.60 0.00 1.52 1.68 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.52 7.81 100 T 8.29 5.61 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 *101 V 7.91 3.91 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 0.68 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.