NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.4216 8.1844 120.6395 54.8727 43.0790 175.3785 8 H 4.9071 8.5292 121.0003 53.8899 33.1794 170.7196 9 K 4.6526 9.2557 125.5403 55.6082 33.7802 175.4720 10 E 4.9251 9.1566 123.8198 53.5898 33.4946 173.8092 11 P 4.9474 0.0000 0.0000 63.2699 32.3686 174.9665 12 A 4.9644 8.5234 121.9753 51.3377 23.0465 175.4636 13 T 4.6526 8.5012 115.1648 61.3307 72.0097 173.8818 14 L 4.2166 8.6696 128.1114 55.8439 42.4035 175.5923 15 I 4.3567 8.7064 126.8682 62.3122 38.5965 175.8839 16 K 4.6026 7.5906 120.9653 55.1356 35.6584 174.0789 17 A 4.5263 8.6987 130.5241 52.1010 19.3329 176.8144 18 I 4.1921 8.3233 122.9982 62.7640 38.7530 174.7697 19 D 4.5796 7.9620 117.5794 53.0943 44.2798 175.5581 20 G 3.6901 8.8214 108.8243 47.9269 0.0000 173.9644 21 D 4.8951 8.0730 116.6213 53.0520 40.3532 175.2698 22 T 5.1978 7.8687 117.1165 62.3857 72.8999 173.3242 23 V 4.7766 8.8132 118.4228 59.4445 36.4384 174.2451 24 K 5.0445 9.1473 125.8027 55.2652 33.7267 175.2937 25 L 5.3109 9.1850 126.8127 53.0290 46.3767 175.3074 26 M 4.7607 9.3967 122.6260 55.3246 33.4179 174.3326 27 Y 5.0318 9.2992 127.7961 56.2935 42.2162 175.5615 28 K 3.5998 9.4131 126.6073 57.4999 29.8752 175.4908 29 G 3.9334 8.3472 102.0339 45.9707 0.0000 173.3368 30 Q 4.7930 8.1130 119.0894 52.6181 32.0313 173.3347 31 P 4.8554 0.0000 0.0000 63.6760 31.9378 175.3876 32 M 4.8441 9.2626 122.5127 54.2296 36.2861 173.6715 33 T 4.7455 8.4909 122.0430 63.1905 70.3972 173.4466 34 F 5.0886 9.5475 125.0809 55.6266 42.2796 174.2376 35 R 5.0071 8.9644 123.8317 54.6162 31.8643 175.3062 36 L 4.4360 8.6556 127.4521 54.5463 42.4132 177.1885 37 L 3.9693 8.5332 124.8190 55.9086 42.7895 178.2903 38 L 3.9293 9.0467 121.0076 54.7795 39.2553 173.9625 39 V 4.9225 7.2269 110.4134 59.5824 35.1658 174.9130 40 D 4.8284 9.2878 124.8660 52.9587 42.4060 175.4503 41 V 4.3594 8.1764 123.7840 59.9764 33.4035 173.6947 42 P 4.4005 0.0000 0.0000 63.1473 32.0646 175.3434 43 E 4.6389 9.9418 123.0546 55.1913 31.3566 176.8585 44 T 4.6507 8.5349 110.1216 62.2537 71.0223 175.3359 45 K 4.5014 7.4604 120.5057 54.5255 30.8339 176.2538 46 H 3.9483 8.8817 134.4134 55.8051 30.2033 172.5822 47 P 4.4518 0.0000 0.0000 64.6979 32.8264 176.3258 48 K 4.5257 7.7322 118.6189 53.0721 30.3827 175.5037 49 K 4.6739 9.0699 129.8786 55.4993 32.3259 177.5262 50 G 4.0825 7.5970 109.1601 45.5398 0.0000 175.9789 51 V 4.1089 8.8814 123.3485 62.0666 32.4650 174.6946 52 E 4.4502 9.2457 128.4029 54.8734 31.5493 175.9151 53 K 4.0766 8.3493 122.8219 58.1508 32.6603 176.7571 54 Y 4.2099 8.2115 122.2921 59.0729 36.0776 171.3608 55 G 3.6589 8.0965 107.8111 47.4356 0.0000 174.1355 56 P 4.2753 0.0000 0.0000 65.0622 31.4469 178.6292 57 E 4.0319 8.1953 116.6997 59.4176 29.4679 179.1241 58 A 4.0729 8.5193 121.3151 55.0020 18.4294 179.6662 59 S 4.0457 8.4866 111.8420 61.5832 62.4684 176.3058 60 A 4.0503 8.4936 123.9083 54.8631 18.0591 179.4314 61 F 3.9102 8.2608 119.1561 61.8069 39.5465 177.4345 62 T 3.9277 8.2740 115.3852 66.5539 68.1995 176.4038 63 K 3.8806 8.1389 121.4169 59.5337 32.0785 178.7460 64 K 3.8706 8.1887 119.9460 59.5553 31.8527 178.5031 65 M 3.8647 7.6934 117.7322 58.5221 31.9629 178.1467 66 V 3.8856 7.9154 112.1667 63.7020 31.7396 178.3726 67 E 4.0593 8.3489 118.0061 58.5310 29.3428 177.9063 68 N 4.6990 7.5634 113.8484 52.0910 39.3260 174.9382 69 A 4.5908 6.8938 123.3547 51.4493 19.6986 178.2291 70 K 4.2010 8.8088 120.4782 58.3200 32.7849 178.1611 71 K 4.6549 8.7051 118.0909 54.5781 36.0031 175.6163 72 I 5.0064 8.4146 125.1656 59.6899 39.8753 174.4760 73 E 5.1383 9.1225 124.6872 54.7031 33.9449 175.0087 74 V 4.6653 8.8854 115.7890 59.5420 35.0961 174.7157 75 E 5.1320 8.7419 123.9125 53.3794 32.3154 175.0259 76 F 4.7122 8.9484 125.7132 57.5660 40.2694 175.4985 77 D 5.0265 8.4453 120.2425 53.2732 43.2688 175.8452 78 K 4.3002 8.9288 117.3988 58.1922 33.0848 178.4320 79 G 4.2092 8.1910 110.3599 44.4449 0.0000 173.4993 80 Q 3.9995 8.7365 122.1422 56.8906 29.2613 176.8387 81 R 4.5937 8.5198 119.4488 56.3022 31.2240 175.8900 82 T 5.0812 7.4404 107.1129 59.7992 72.1115 173.3543 83 D 4.8428 8.4488 123.1238 51.7875 41.8084 176.7959 84 K 4.0134 8.3851 116.6940 59.1672 32.8332 176.8858 85 Y 4.3317 8.1130 116.2751 57.8768 37.9849 176.2025 86 G 3.9438 8.2636 108.5246 45.1629 0.0000 174.0239 87 R 4.3357 8.3151 119.5053 55.1205 31.6843 176.5186 88 G 3.6125 8.4755 110.6685 46.4001 0.0000 172.5189 89 L 5.3549 8.9337 123.8327 53.1340 43.0320 175.5831 90 A 4.5148 8.4373 124.7953 50.7415 23.6379 173.9500 91 Y 4.7647 8.6760 117.3276 57.2419 39.8016 175.1821 92 I 4.7868 8.5876 124.4186 59.6482 40.4174 174.0577 93 Y 5.0864 9.1699 124.2317 56.0398 41.1037 174.5436 94 A 4.9471 8.9443 125.4969 50.2374 21.5007 176.2949 95 D 4.4337 10.0043 125.5031 55.8110 39.0394 175.4009 96 G 3.9838 8.4040 105.3727 45.2502 0.0000 173.3787 97 K 4.5091 7.8796 120.3509 54.6884 33.6275 175.4287 98 M 3.9321 8.4986 123.8695 55.0979 33.2560 176.9589 99 V 3.6305 8.7604 126.9977 66.1602 31.6380 177.8022 100 N 4.3436 8.0143 115.8292 56.3063 38.4272 176.8567 101 E 3.8986 8.0758 120.0037 59.0931 29.7766 178.3787 102 A 4.0887 8.1790 120.9140 55.2093 18.3767 179.5471 103 L 3.4911 7.9733 117.4218 57.8225 41.6751 180.0205 104 V 3.7157 7.4792 118.1583 66.0462 31.2931 178.0183 105 R 3.9334 8.2114 117.6760 59.1372 29.9121 177.4692 106 Q 4.3547 7.5655 115.0105 54.9339 29.0208 175.8798 107 G 3.9152 8.0426 108.6668 46.8915 0.0000 174.7770 108 L 4.6522 7.5629 116.3108 53.4408 42.6031 176.1885 109 A 4.5302 7.3885 117.6398 51.2218 21.8926 176.4002 110 K 4.8655 8.5560 119.4718 54.2042 35.6471 176.0981 111 V 4.1755 9.0423 123.3041 63.2391 32.0421 176.0484 112 A 4.7327 8.7372 130.2417 50.0448 20.2617 176.2595 113 Y 3.8506 8.5538 120.0289 57.9264 39.1366 175.2485 114 V 3.9875 7.1231 126.4863 61.1169 33.4370 174.2017 115 Y 4.6673 8.0825 124.1428 55.8934 39.2179 175.4945 116 K 4.5733 8.6356 125.1286 56.0139 32.7866 175.0514 117 P 4.8604 0.0000 0.0000 63.0300 32.0250 176.6368 118 N 4.9277 7.9743 118.0317 52.7094 36.9407 175.1978 119 N 5.1279 7.7514 113.7124 53.0392 39.0207 177.6433 120 T 3.7922 8.5881 117.7745 67.7927 68.6883 175.1126 121 H 4.8305 7.8036 116.6818 55.7940 29.1811 176.7375 122 E 3.9423 8.2246 123.3475 59.6622 29.2510 178.7967 123 Q 3.9536 8.0185 118.9938 59.2018 29.3059 177.1223 124 H 4.1114 8.2653 118.8715 59.5363 29.8990 177.0468 125 L 3.9463 7.9479 120.5381 57.8654 41.4324 179.7867 126 R 4.1078 8.1654 118.0141 58.8878 29.7752 179.2946 127 K 3.9216 8.2832 118.7836 59.6867 32.0701 179.6133 128 S 4.0896 7.8201 115.1395 61.4177 62.7123 176.3772 129 E 3.9407 8.8246 122.3155 59.0251 29.3275 178.7533 130 A 3.7574 7.9364 121.1260 54.8602 18.2991 179.4253 131 Q 3.7828 7.7985 118.0468 59.3103 29.1821 178.3276 132 A 3.9524 8.0639 121.7568 54.8501 18.3315 179.4590 133 K 3.3867 7.5061 118.2615 58.9067 31.8753 178.9272 134 K 3.8516 7.7038 119.3370 59.2766 32.2210 177.8659 135 E 4.1723 8.3065 116.1343 55.5668 30.3936 176.2812 136 K 4.0444 7.6389 117.9268 57.2609 30.4088 175.2730 137 L 4.5073 8.0796 118.0705 54.9090 44.9680 177.9737 138 N 3.9437 9.4770 119.7653 54.2357 37.7865 176.4955 139 I 3.0450 5.4200 126.9953 64.3178 37.7071 176.8119 140 W 4.6625 7.8990 120.1862 57.7759 29.3109 177.1623 *141 S 4.4169 7.9631 121.0843 58.3545 62.4424 178.3823 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 7 L 8.18 4.42 0.00 1.72 1.79 1.08 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.53 4.91 0.00 3.30 3.19 0.00 5.68 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.26 4.65 0.00 1.51 1.55 0.00 1.43 0.00 0.00 1.40 0.00 0.00 2.18 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.00 1.21 7.81 10 E 9.16 4.93 0.00 2.10 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 2.39 2.27 0.00 11 P 0.00 4.95 0.00 2.10 2.07 0.00 3.83 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 12 A 8.52 4.96 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 13 T 8.50 4.65 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 1.23 0.00 0.00 14 L 8.67 4.22 0.00 1.64 1.58 0.92 1.02 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 15 I 8.71 4.36 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.85 0.94 0.00 0.00 16 K 7.59 4.60 0.00 1.81 1.61 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.46 7.81 17 A 8.70 4.53 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 18 I 8.32 4.19 2.02 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 1.31 0.68 0.91 0.00 0.00 19 D 7.96 4.58 0.00 2.73 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 20 G 8.82 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.07 4.90 0.00 2.86 2.89 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 22 T 7.87 5.20 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 1.28 0.00 0.00 23 V 8.81 4.78 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 0.68 0.00 0.00 0.94 0.00 0.00 24 K 9.15 5.04 0.00 1.84 1.72 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.45 7.81 25 L 9.18 5.31 0.00 1.80 1.56 0.39 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.40 4.76 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.57 0.00 27 Y 9.30 5.03 0.00 3.27 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 28 K 9.41 3.60 0.00 1.56 1.60 0.00 1.70 0.00 0.00 1.51 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.30 0.79 7.81 29 G 8.35 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 30 Q 8.11 4.79 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.91 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 31 P 0.00 4.86 0.00 2.11 2.12 0.00 3.77 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 32 M 9.26 4.84 0.00 2.22 1.93 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.43 0.00 33 T 8.49 4.75 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 1.22 0.00 0.00 34 F 9.55 5.09 0.00 2.99 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 35 R 8.96 5.01 0.00 1.92 1.95 0.00 3.36 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 36 L 8.66 4.44 0.00 1.57 1.60 0.99 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.53 3.97 0.00 1.10 1.25 0.34 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 38 L 9.05 3.93 0.00 2.03 1.94 1.12 1.00 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 39 V 7.23 4.92 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 0.76 0.00 0.00 0.95 0.00 0.00 40 D 9.29 4.83 0.00 2.55 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 41 V 8.18 4.36 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 42 P 0.00 4.40 0.00 2.31 2.07 0.00 3.68 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 2.08 2.05 0.00 43 E 9.94 4.64 0.00 2.07 2.02 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 2.26 2.42 0.00 44 T 8.53 4.65 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 1.20 0.00 0.00 45 K 7.46 4.50 0.00 1.91 0.90 0.00 1.73 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.39 7.81 46 H 8.88 3.95 0.00 3.47 3.35 0.00 5.65 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.45 0.00 2.23 2.24 0.00 3.24 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.89 0.00 48 K 7.73 4.53 0.00 1.87 1.87 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.42 7.81 49 K 9.07 4.67 0.00 1.72 1.88 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.13 7.81 50 G 7.60 4.08 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 0.00 0.00 0.00 51 V 8.88 4.11 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 0.79 0.00 0.00 0.98 0.00 0.00 52 E 9.25 4.45 0.00 1.88 1.80 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 2.18 2.29 0.00 53 K 8.35 4.08 0.00 1.67 1.69 0.00 1.67 0.00 0.00 1.53 0.00 0.00 2.60 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.37 0.99 7.81 54 Y 8.21 4.21 0.00 3.17 2.99 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 55 G 8.10 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 56 P 0.00 4.28 0.00 2.17 2.12 0.00 3.58 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 2.09 2.17 0.00 57 E 8.20 4.03 0.00 2.35 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 2.51 2.49 0.00 58 A 8.52 4.07 1.31 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 0.00 0.00 0.00 59 S 8.49 4.05 0.00 3.91 4.08 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 60 A 8.49 4.05 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 61 F 8.26 3.91 0.00 3.34 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 62 T 8.27 3.93 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 1.24 0.00 0.00 63 K 8.14 3.88 0.00 1.92 2.00 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.51 7.81 64 K 8.19 3.87 0.00 2.00 1.61 0.00 1.55 0.00 0.00 1.54 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.59 7.81 65 M 7.69 3.86 0.00 2.04 1.77 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 66 V 7.92 3.89 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 0.83 0.00 0.00 1.00 0.00 0.00 67 E 8.35 4.06 0.00 1.97 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 2.34 2.46 0.00 68 N 7.56 4.70 0.00 2.74 2.80 0.00 0.00 6.96 7.50 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 69 A 6.89 4.59 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 70 K 8.81 4.20 0.00 1.85 1.87 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.40 7.81 71 K 8.71 4.65 0.00 1.65 1.65 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.38 7.81 72 I 8.41 5.01 2.03 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 1.33 0.71 0.85 0.00 0.00 73 E 9.12 5.14 0.00 1.86 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 2.18 2.24 0.00 74 V 8.89 4.67 1.31 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 -0.17 0.00 0.00 0.66 0.00 0.00 75 E 8.74 5.13 0.00 2.15 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 0.00 2.49 2.38 0.00 76 F 8.95 4.71 0.00 3.06 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 77 D 8.45 5.03 0.00 2.74 2.93 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 78 K 8.93 4.30 0.00 1.96 1.89 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.45 7.81 79 G 8.19 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 80 Q 8.74 4.00 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 81 R 8.52 4.59 0.00 1.60 1.39 0.00 2.69 0.00 0.00 2.41 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 82 T 7.44 5.08 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 1.15 0.00 0.00 83 D 8.45 4.84 0.00 2.95 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 84 K 8.39 4.01 0.00 1.63 1.80 0.00 1.28 0.00 0.00 1.53 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.03 0.53 7.81 85 Y 8.11 4.33 0.00 3.10 2.99 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 86 G 8.26 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 0.00 0.00 0.00 87 R 8.32 4.34 0.00 1.81 1.91 0.00 3.14 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 88 G 8.48 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 89 L 8.93 5.35 0.00 1.57 1.64 0.95 0.60 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 90 A 8.44 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.68 4.76 0.00 2.99 2.68 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 0.00 92 I 8.59 4.79 1.76 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.59 0.80 0.00 0.00 93 Y 9.17 5.09 0.00 2.78 2.84 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 94 A 8.94 4.95 1.20 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 0.00 0.00 95 D 10.00 4.43 0.00 2.75 2.71 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 96 G 8.40 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 97 K 7.88 4.51 0.00 1.98 1.77 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.38 7.81 98 M 8.50 3.93 0.00 1.91 1.59 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.36 0.00 99 V 8.76 3.63 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 1.02 0.00 0.00 0.94 0.00 0.00 100 N 8.01 4.34 0.00 2.90 2.90 0.00 0.00 6.78 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 0.00 101 E 8.08 3.90 0.00 1.96 1.91 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 2.26 2.19 0.00 102 A 8.18 4.09 1.59 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 0.00 0.00 103 L 7.97 3.49 0.00 1.84 1.62 0.99 0.78 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 0.00 104 V 7.48 3.72 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 1.10 0.00 0.00 0.96 0.00 0.00 105 R 8.21 3.93 0.00 2.00 2.07 0.00 3.33 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 106 Q 7.57 4.35 0.00 1.61 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.35 0.00 0.00 0.00 0.00 0.00 2.34 2.12 0.00 107 G 8.04 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 0.00 108 L 7.56 4.65 0.00 1.27 1.46 0.55 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.39 4.53 1.12 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 0.00 0.00 110 K 8.56 4.87 0.00 1.71 1.81 0.00 1.44 0.00 0.00 1.41 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.18 1.14 7.81 111 V 9.04 4.18 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 0.77 0.00 0.00 1.00 0.00 0.00 112 A 8.74 4.73 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 0.00 113 Y 8.55 3.85 0.00 2.85 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 0.00 114 V 7.12 3.99 1.79 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 0.80 0.00 0.00 0.96 0.00 0.00 115 Y 8.08 4.67 0.00 3.15 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 0.00 116 K 8.64 4.57 0.00 1.78 1.77 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.42 7.81 117 P 0.00 4.86 0.00 2.20 2.15 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 118 N 7.97 4.93 0.00 2.97 2.88 0.00 0.00 6.61 7.40 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 0.00 119 N 7.75 5.13 0.00 2.95 2.95 0.00 0.00 6.10 7.22 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 0.00 120 T 8.59 3.79 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 1.05 0.00 0.00 121 H 7.80 4.83 0.00 2.91 3.14 0.00 5.63 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.22 3.94 0.00 2.17 1.95 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 2.30 2.32 0.00 123 Q 8.02 3.95 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.64 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 124 H 8.27 4.11 0.00 3.26 3.47 0.00 5.92 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 0.00 125 L 7.95 3.95 0.00 1.90 1.71 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.17 4.11 0.00 1.99 1.95 0.00 3.11 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 127 K 8.28 3.92 0.00 2.07 1.82 0.00 1.56 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.50 7.81 128 S 7.82 4.09 0.00 3.94 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 0.00 129 E 8.82 3.94 0.00 2.09 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 2.18 2.58 0.00 130 A 7.94 3.76 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 0.00 131 Q 7.80 3.78 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 132 A 8.06 3.95 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 0.00 133 K 7.51 3.39 0.00 0.79 1.10 0.00 1.23 0.00 0.00 1.24 0.00 0.00 2.19 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 0.96 7.81 134 K 7.70 3.85 0.00 1.69 1.90 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.43 7.81 135 E 8.31 4.17 0.00 1.95 1.97 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 2.31 2.52 0.00 136 K 7.64 4.04 0.00 1.92 1.91 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.39 7.81 137 L 8.08 4.51 0.00 1.80 1.71 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.48 3.94 0.00 2.69 1.70 0.00 0.00 7.13 7.44 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 0.00 139 I 5.42 3.05 1.04 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.24 -0.25 0.00 0.00 140 W 7.90 4.66 0.00 3.41 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 *141 S 7.96 4.42 0.00 3.67 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 * Residues marked with a * may have inaccurate shift predictions.