NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6983 8.3649 120.5285 54.4792 42.2532 174.7318 2 K 4.4831 8.6326 118.2238 55.8662 33.6159 174.2841 3 A 4.8392 7.4035 120.7141 50.8044 22.5827 175.2292 4 T 4.5218 8.6478 109.3655 59.8463 72.5888 173.3592 5 I 4.3244 7.9712 123.1918 59.1099 38.0510 173.7820 6 P 4.2703 0.0000 0.0000 64.7960 30.9015 177.4582 7 S 4.6090 7.6509 111.9680 56.3857 64.9599 174.3165 8 E 4.3044 9.1080 127.3731 58.5303 29.6544 177.0581 9 S 4.8801 7.1821 110.4329 55.8500 65.2176 171.9223 10 P 4.9615 0.0000 0.0000 62.8354 32.2667 175.0625 11 F 5.1431 8.2128 115.1103 55.1446 42.1120 173.5787 12 A 4.5645 8.6279 120.6496 51.7455 18.8407 178.7971 13 A 4.0000 9.1930 124.5488 55.3021 18.6186 179.9827 14 A 4.1695 8.1340 117.0473 54.5003 18.5153 177.7383 15 E 4.6462 8.3671 114.6087 55.8204 29.9185 176.3885 16 V 3.8455 7.5523 118.8729 62.9058 32.2430 175.9802 17 A 4.2308 8.4174 128.8885 51.5167 19.1036 176.6181 18 D 4.5134 8.4427 120.3131 56.1680 41.2030 177.6615 19 G 3.8619 8.9485 111.0576 44.8194 0.0000 173.2440 20 A 3.9524 7.5831 121.8492 52.7062 19.0527 177.6039 21 I 4.1295 8.2229 124.1141 59.9833 38.3295 174.7299 22 V 4.5559 8.1523 127.4337 61.2299 33.1185 174.9742 23 V 4.3145 8.3050 128.1983 61.1948 33.4364 174.4722 24 D 5.0720 8.7723 127.9145 54.1720 42.7349 175.5572 25 I 5.0426 8.7805 123.0943 60.0992 39.4360 174.5201 26 A 4.7043 9.0571 127.6896 50.8411 23.1608 175.6129 27 K 4.0804 9.5337 116.1840 57.9956 29.8638 175.0480 28 M 3.3359 8.1482 112.1890 55.9861 30.4296 177.3073 29 K 4.4829 7.5940 115.0046 54.7371 35.2035 175.5431 30 Y 4.6431 8.1861 119.1752 58.0536 37.8752 176.6205 31 E 4.0960 9.3974 126.0266 58.5887 30.0653 177.6539 32 T 4.6831 7.6756 115.6985 60.9010 68.9333 172.7819 33 P 4.4955 0.0000 0.0000 64.2181 33.1514 175.4706 34 E 4.9495 7.7834 117.8076 54.4376 31.9727 174.3323 35 L 4.8173 8.7634 129.6677 53.5121 44.9445 174.5079 36 H 5.3519 8.8855 122.7730 54.3296 30.8201 173.9281 37 V 4.5895 8.7431 115.7369 59.7920 36.6674 174.3480 38 K 4.8419 9.0486 120.4768 54.4039 34.7276 176.9439 39 V 3.7616 8.3220 122.0449 64.9828 31.7106 176.4180 40 G 4.0468 9.4062 116.0268 45.1538 0.0000 173.5030 41 D 4.6268 8.1970 120.0380 54.5563 42.3452 175.4229 42 T 4.9216 8.4165 118.3632 62.2195 70.6518 173.6109 43 V 4.2954 8.8059 127.1645 61.5905 33.8387 174.5569 44 T 5.0401 8.4748 123.9502 61.6203 71.6838 173.0743 45 W 5.1020 9.4901 127.0604 55.9055 31.2685 175.6063 46 I 5.0450 8.7921 124.0829 59.4770 40.4444 174.0619 47 N 4.8785 9.2855 127.2947 53.5240 39.5283 175.3065 48 R 4.7881 9.0718 125.3235 56.1755 30.9362 175.6767 49 E 4.6909 8.7345 117.0932 53.7986 33.2341 176.1009 50 A 4.3733 8.2065 121.5449 51.7781 16.3056 175.3281 *52 P 4.4976 0.0000 0.0000 62.5183 33.4425 177.5501 53 H 5.0732 8.6110 117.5096 54.8146 33.8888 172.3163 54 N 4.8752 8.3766 115.9075 51.8912 40.5535 173.2914 55 V 4.4727 7.9462 109.9776 60.0978 35.5928 174.6203 56 H 5.2476 8.7455 123.6166 54.6997 33.2478 171.6686 57 F 5.1317 9.4962 125.2338 55.6783 41.3483 176.2120 58 V 4.4336 8.5905 116.7154 60.4121 33.2209 175.4655 59 A 4.1989 8.5198 124.8242 54.2504 18.4688 178.3359 60 G 3.9764 9.0697 110.5466 45.4014 0.0000 174.5892 61 V 4.1044 7.1572 118.4655 64.5424 32.3227 176.6730 62 L 4.2386 7.8159 118.1152 54.5217 42.4891 176.7770 63 G 3.9235 7.2983 105.7963 45.7339 0.0000 173.0308 64 E 3.8531 8.8942 117.8642 59.3390 29.5250 177.8273 65 A 4.5340 7.6774 117.9631 50.7239 19.8889 177.1337 66 A 4.1683 8.6155 121.2021 52.3866 19.5534 177.4262 67 L 4.3708 9.0709 123.8340 53.5283 43.5107 175.3708 68 K 4.4250 8.4343 129.0552 54.3672 32.4320 176.0689 69 G 3.5684 8.7150 115.7845 44.9416 0.0000 170.0438 70 P 4.4804 0.0000 0.0000 62.3442 32.4226 176.0153 71 M 4.2564 8.3544 121.3743 55.8509 32.7680 175.5917 72 M 4.3871 9.0504 124.5304 54.1415 33.9623 176.7406 73 K 4.6795 8.5917 123.8782 54.9236 34.3896 176.3639 74 K 4.1211 8.4330 121.3885 57.6821 32.3101 175.8297 75 E 3.8637 9.4024 124.7155 57.7220 27.5024 173.7904 76 Q 5.2026 7.8419 116.3002 54.2090 32.5894 174.3766 77 A 5.1913 8.5057 121.2192 50.8621 23.3020 174.5078 78 Y 5.0210 8.7067 118.9637 56.5718 42.6277 173.8934 79 S 5.4423 8.2877 121.1900 56.7925 66.6857 173.3368 80 L 4.6480 8.8718 121.3513 53.3222 45.9293 175.5642 81 T 4.7973 8.4810 120.4235 61.9813 70.5574 173.6655 82 F 4.7035 9.0852 126.8160 56.9378 40.0138 176.4785 83 T 4.6355 8.8499 113.1717 61.5212 69.9138 173.8978 84 E 4.8693 8.0832 121.9534 54.2581 32.9343 174.5084 85 A 4.3703 9.0603 127.6885 51.8326 19.4799 177.4448 86 G 3.6452 7.4189 105.8841 46.7732 0.0000 170.7407 87 T 4.7772 7.5484 115.9542 61.9291 71.3959 173.9015 88 Y 4.8645 9.0734 125.4203 56.2405 39.9257 174.7889 89 D 5.1802 8.8459 124.1348 54.2605 42.2334 175.2445 90 Y 4.8329 8.3899 119.3883 56.1012 42.2703 172.8425 91 H 5.4331 8.8417 114.8096 54.4990 33.2170 171.3508 92 C 4.8634 8.6509 119.1032 58.5372 32.0635 173.9895 93 T 3.8924 9.3369 124.9272 66.3850 68.1569 174.0556 94 P 4.3405 0.0000 0.0000 64.8508 32.1094 176.1112 95 H 4.4318 7.5625 116.5299 52.8882 28.6807 172.1626 96 P 4.3500 0.0000 0.0000 64.7725 31.7820 178.6795 97 F 4.2438 7.5350 113.1256 58.6238 38.1321 174.7463 98 Q 4.4976 7.7858 122.3431 54.8101 29.3244 174.8848 99 R 5.0609 8.5495 122.4627 54.6497 34.2147 174.8808 100 G 3.7481 7.9543 107.5400 45.4413 0.0000 171.5758 101 K 5.3080 8.9903 117.8163 55.4646 36.5210 175.2422 102 V 4.7940 9.2632 122.1884 61.2945 34.0666 174.2117 103 V 4.5874 8.8233 128.7239 61.2969 33.4575 174.3281 104 V 4.7672 8.8425 128.4285 61.1089 33.9567 175.2481 105 E 4.4029 8.9952 126.8294 56.4841 29.3979 175.8953 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 D 8.36 4.70 0.00 2.61 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 2 K 8.63 4.48 0.00 1.77 1.74 0.00 1.64 0.00 0.00 2.04 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.64 1.62 7.81 3 A 7.40 4.84 0.49 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 0.00 0.00 0.00 4 T 8.65 4.52 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 1.13 0.00 0.00 5 I 7.97 4.32 1.84 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 1.25 0.55 0.90 0.00 0.00 6 P 0.00 4.27 0.00 1.94 2.02 0.00 3.65 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 7 S 7.65 4.61 0.00 3.73 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 8 E 9.11 4.30 0.00 2.05 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 0.00 2.35 2.30 0.00 9 S 7.18 4.88 0.00 3.95 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 10 P 0.00 4.96 0.00 2.06 2.00 0.00 3.68 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 2.10 2.02 0.00 11 F 8.21 5.14 0.00 3.06 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 12 A 8.63 4.56 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 13 A 9.19 4.00 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 14 A 8.13 4.17 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 15 E 8.37 4.65 0.00 2.25 1.96 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 2.28 2.28 0.00 16 V 7.55 3.85 2.25 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 0.80 0.00 0.00 1.14 0.00 0.00 17 A 8.42 4.23 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 18 D 8.44 4.51 0.00 2.67 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 19 G 8.95 3.86 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 0.00 0.00 0.00 20 A 7.58 3.95 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 21 I 8.22 4.13 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.99 0.82 0.00 0.00 22 V 8.15 4.56 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 0.75 0.00 0.00 0.92 0.00 0.00 23 V 8.31 4.31 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 1.23 0.00 0.00 0.63 0.00 0.00 24 D 8.77 5.07 0.00 2.80 2.61 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 25 I 8.78 5.04 1.91 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.56 0.00 0.00 26 A 9.06 4.70 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 27 K 9.53 4.08 0.00 1.86 1.87 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.39 7.81 28 M 8.15 3.34 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.65 0.00 29 K 7.59 4.48 0.00 1.79 1.65 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.37 1.57 7.81 30 Y 8.19 4.64 0.00 3.14 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 31 E 9.40 4.10 0.00 1.96 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 2.39 2.49 0.00 32 T 7.68 4.68 4.29 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 1.28 0.00 0.00 33 P 0.00 4.50 0.00 2.15 2.39 0.00 3.69 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 34 E 7.78 4.95 0.00 2.03 1.89 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 2.28 2.22 0.00 35 L 8.76 4.82 0.00 1.82 1.48 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.89 5.35 0.00 3.03 3.20 0.00 5.70 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.74 4.59 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 0.68 0.00 0.00 0.77 0.00 0.00 38 K 9.05 4.84 0.00 1.80 1.71 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.36 7.81 39 V 8.32 3.76 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 0.81 0.00 0.00 0.97 0.00 0.00 40 G 9.41 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 0.00 0.00 0.00 41 D 8.20 4.63 0.00 2.75 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 42 T 8.42 4.92 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 1.24 0.00 0.00 43 V 8.81 4.30 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 -0.09 0.00 0.00 0.86 0.00 0.00 44 T 8.47 5.04 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 1.32 0.00 0.00 45 W 9.49 5.10 0.00 3.43 3.12 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 46 I 8.79 5.05 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.90 0.94 0.00 0.00 47 N 9.29 4.88 0.00 2.92 2.91 0.00 0.00 6.70 8.41 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 48 R 9.07 4.79 0.00 1.87 1.97 0.00 3.35 0.00 0.00 3.31 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 49 E 8.73 4.69 0.00 2.12 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 0.00 2.36 2.28 0.00 50 A 8.21 4.37 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 *52 P 0.00 4.50 0.00 1.91 1.99 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.09 0.00 53 H 8.61 5.07 0.00 3.02 3.08 0.00 5.56 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.38 4.88 0.00 2.57 2.68 0.00 0.00 5.85 7.68 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 55 V 7.95 4.47 1.04 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 -0.69 0.00 0.00 0.42 0.00 0.00 56 H 8.75 5.25 0.00 2.98 2.87 0.00 5.56 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 9.50 5.13 0.00 3.01 3.05 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 58 V 8.59 4.43 2.14 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 1.00 0.00 0.00 1.00 0.00 0.00 59 A 8.52 4.20 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 60 G 9.07 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 0.00 0.00 0.00 61 V 7.16 4.10 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 1.29 0.00 0.00 1.12 0.00 0.00 62 L 7.82 4.24 0.00 1.57 1.38 -0.16 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 63 G 7.30 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 64 E 8.89 3.85 0.00 1.98 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 2.33 2.32 0.00 65 A 7.68 4.53 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 66 A 8.62 4.17 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 67 L 9.07 4.37 0.00 1.69 1.65 0.75 0.86 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 68 K 8.43 4.42 0.00 1.54 1.60 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.16 1.10 7.81 69 G 8.71 3.57 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 0.00 0.00 0.00 70 P 0.00 4.48 0.00 1.94 1.92 0.00 2.20 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.94 0.00 71 M 8.35 4.26 0.00 1.86 1.99 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 72 M 9.05 4.39 0.00 1.93 2.11 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 73 K 8.59 4.68 0.00 1.66 1.75 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.37 7.81 74 K 8.43 4.12 0.00 1.80 1.75 0.00 1.74 0.00 0.00 2.37 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.53 7.81 75 E 9.40 3.86 0.00 2.18 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 0.00 2.24 2.43 0.00 76 Q 7.84 5.20 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 77 A 8.51 5.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 8.71 5.02 0.00 2.98 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 79 S 8.29 5.44 0.00 3.75 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 80 L 8.87 4.65 0.00 1.48 0.81 0.72 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.48 4.80 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 1.20 0.00 0.00 82 F 9.09 4.70 0.00 3.01 2.91 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 0.00 0.00 0.00 83 T 8.85 4.64 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 1.15 0.00 0.00 84 E 8.08 4.87 0.00 2.01 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 2.38 0.00 85 A 9.06 4.37 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 86 G 7.42 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 0.00 0.00 0.00 87 T 7.55 4.78 4.09 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 1.16 0.00 0.00 88 Y 9.07 4.86 0.00 3.28 3.34 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 89 D 8.85 5.18 0.00 2.62 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 90 Y 8.39 4.83 0.00 2.01 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 91 H 8.84 5.43 0.00 3.23 3.32 0.00 5.25 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 C 8.65 4.86 0.00 3.00 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 93 T 9.34 3.89 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 1.22 0.00 0.00 94 P 0.00 4.34 0.00 1.81 2.02 0.00 3.63 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 95 H 7.56 4.43 0.00 2.74 1.91 0.00 5.64 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.35 0.00 2.10 2.09 0.00 3.65 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 1.94 0.00 97 F 7.54 4.24 0.00 3.15 3.24 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 98 Q 7.79 4.50 0.00 1.89 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.20 0.00 99 R 8.55 5.06 0.00 1.61 1.68 0.00 3.19 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 100 G 7.95 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 0.00 101 K 8.99 5.31 0.00 1.94 1.96 0.00 1.24 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.40 7.81 102 V 9.26 4.79 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 0.48 0.00 0.00 1.28 0.00 0.00 103 V 8.82 4.59 1.67 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 0.88 0.00 0.00 0.80 0.00 0.00 104 V 8.84 4.77 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 1.03 0.00 0.00 0.81 0.00 0.00 105 E 9.00 4.40 0.00 1.86 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 2.25 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.