NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 38 D 4.6053 8.2233 120.1908 53.7686 41.8450 177.4393 39 P 4.0741 0.0000 0.0000 64.5390 31.4609 176.4288 40 R 4.5063 8.1060 117.2291 57.9519 32.7799 178.6630 41 D 4.5716 8.0540 120.1163 58.5106 39.4022 182.6214 42 E 4.1836 8.3944 121.2641 58.4743 29.5325 178.6866 43 K 4.0247 7.4326 118.1742 59.0849 32.4470 178.8849 44 V 3.6273 8.7610 119.3980 65.7185 31.2212 177.8822 45 A 3.9274 8.1021 120.8119 55.1759 18.3275 179.0601 46 N 4.2006 7.8908 114.1740 56.4955 38.6361 177.2482 47 L 3.9409 7.6757 119.8317 57.7841 42.1360 178.4171 48 E 4.0924 7.9097 117.8444 59.9414 29.5009 179.0217 49 A 3.9397 8.3380 120.3134 55.5879 18.2867 179.7339 50 Q 3.9647 8.4935 115.5673 59.0225 28.9081 180.1308 51 L 4.0027 8.0121 121.2029 57.8488 42.0688 178.7944 52 A 4.0099 8.4946 121.2751 55.5076 18.2499 178.3677 53 E 3.8486 8.3592 117.1313 59.3698 29.3352 178.3966 54 A 4.0166 8.2611 120.9489 55.6576 18.5909 178.9303 55 Q 4.0345 8.0576 118.7980 59.3529 29.1317 178.2556 56 T 3.8966 8.5416 111.0901 64.8466 68.8984 176.3764 57 R 3.9421 8.7175 121.8891 58.9739 29.9442 178.2611 58 E 3.8713 7.8223 119.0635 59.4919 29.8159 178.0075 59 R 3.8409 7.9876 118.4911 59.8543 29.9147 177.7689 60 D 4.4383 8.8218 118.4461 57.6175 41.0242 179.0914 61 G 3.8719 7.9467 105.7959 48.4277 0.0000 175.1845 62 I 3.6777 8.0392 121.8560 63.8965 37.0578 178.0529 63 L 3.9914 8.0531 121.8098 58.9278 41.6465 180.5496 64 R 3.9280 8.2492 120.3478 61.7791 29.3807 180.8647 65 V 4.0723 7.6894 118.2597 64.9187 31.2355 177.6305 66 K 4.0916 8.2930 118.9734 58.1225 31.9941 177.7174 67 A 4.2684 8.1759 120.2883 53.2974 19.3289 178.6796 68 E 3.9052 8.0229 118.3810 59.4954 29.6514 178.7258 69 M 4.0935 7.9490 118.4523 57.9723 32.1101 178.1898 70 E 4.0474 7.7000 119.2997 58.7317 29.7042 178.6233 71 N 4.3486 7.9022 117.0947 55.9973 38.5341 176.7777 72 L 3.9531 7.3800 120.6367 59.1647 42.2589 178.6671 73 R 3.9398 8.1906 118.0911 58.2947 29.4280 178.4615 74 R 3.8151 8.5057 118.9916 60.0289 30.3429 178.7982 75 R 4.0319 8.5309 118.7094 58.8659 30.1556 178.1735 76 T 4.0910 8.1808 109.8478 63.7945 69.0088 176.6944 77 E 3.8591 8.0572 122.1051 59.5188 29.8043 177.8521 78 L 3.8894 7.5175 118.0335 58.5806 41.2980 179.2845 79 D 4.4642 8.2463 118.1198 57.1120 40.9877 178.8148 80 I 3.9321 7.6007 121.8300 63.6858 37.5163 177.7564 81 E 4.3853 8.8428 120.3212 59.6420 29.6582 181.5747 82 K 4.4597 7.8122 122.2230 59.9042 32.8471 184.0799 83 A 4.4005 7.4825 121.5314 54.2815 18.1621 178.9222 84 H 4.3148 7.8208 115.9682 58.7117 30.3557 176.8554 85 K 3.9267 7.7276 120.1556 59.6564 32.0319 178.4219 86 F 4.1140 8.8417 120.9373 61.3198 39.3885 177.1007 87 A 3.9703 8.0562 120.1053 54.9791 18.1548 179.2521 88 L 3.9056 8.5211 119.2362 58.3877 41.9473 179.1748 89 E 3.9711 7.9814 118.1527 58.9108 29.4501 179.1345 90 K 3.7617 7.5964 119.3541 59.8109 32.3342 178.0459 91 F 4.0912 8.3929 120.9103 61.0899 38.9519 176.8620 92 I 3.4401 7.9849 120.8121 65.1487 37.3256 177.3945 93 N 4.3348 7.8183 117.7033 55.9551 38.1682 176.9695 94 E 3.9063 8.1839 121.9797 58.8592 30.0807 178.9421 95 L 3.8409 7.4678 120.6464 57.2798 41.9718 178.3610 96 L 3.6360 7.6583 119.7167 57.3826 41.6004 177.7493 97 P 4.5281 0.0000 0.0000 65.3324 30.9084 178.5207 98 V 3.5225 7.5318 117.8007 65.7192 31.3905 178.1150 99 I 3.6707 7.5160 119.0327 64.5574 36.9202 177.6617 100 D 4.5843 8.2065 119.7697 57.7254 40.5970 179.2722 101 S 4.1580 8.0924 115.3145 61.8488 62.8465 176.8491 102 L 4.0020 7.5651 121.3919 57.7549 41.1963 179.5259 103 D 4.2921 8.0094 118.9482 57.4402 40.6923 178.3655 104 R 3.8466 8.1413 118.0622 59.6387 30.2483 178.0865 105 A 4.1261 8.1927 120.2284 55.0582 18.4090 179.3214 106 L 4.1687 8.2795 119.6550 57.6706 42.0748 177.7403 107 E 4.6877 8.0299 116.4281 56.4615 29.9978 183.1042 108 V 4.4772 7.5129 114.9603 61.8349 35.3181 179.1249 *116 M 4.5762 8.1993 119.3358 56.7608 33.6368 178.5606 117 S 4.1052 8.0725 114.1693 60.3373 62.6231 177.6628 118 A 4.3550 7.7436 120.3278 53.6861 20.1424 178.5759 119 M 4.2726 8.0909 115.3541 58.9415 32.3572 178.2018 120 V 3.5581 7.8959 118.4197 66.1011 31.2273 177.4380 121 E 3.9350 7.7742 118.5650 59.0036 29.2783 178.6310 122 D 4.2523 8.2573 119.4331 57.3475 41.2145 178.6736 123 I 4.0108 7.7777 119.3945 64.0543 37.6320 177.9508 124 E 4.1640 8.4168 119.7396 58.1390 30.1436 178.3977 125 L 4.1364 7.3736 120.0918 57.6671 42.1909 178.8315 126 T 3.8619 8.4441 116.2093 66.3529 68.3719 176.2892 127 L 3.9119 7.8368 122.1836 58.1725 42.1935 178.6827 128 K 3.8584 7.9599 119.6551 59.8265 32.0537 178.7321 129 S 4.3466 8.0855 113.9181 61.1852 63.1413 176.0267 130 M 3.9349 8.0795 121.9772 58.6284 31.9483 178.2482 131 L 4.0079 8.0733 118.9200 57.8878 41.6224 179.0171 132 D 4.4063 8.2938 117.8828 57.5644 41.2575 178.9267 133 V 3.8206 8.3003 118.7730 66.0797 31.4585 178.2310 134 V 3.6938 7.7683 117.5848 65.8694 31.2848 177.5561 135 R 4.2772 8.1055 120.1168 59.1403 29.6442 178.2215 136 K 3.6136 7.4315 115.2113 58.7336 32.0613 177.4438 137 F 4.5498 9.2598 116.4818 57.0761 39.5100 176.3700 138 G 3.9339 9.1870 110.9403 44.8019 0.0000 173.3567 139 V 4.4500 7.7186 120.7502 62.3537 32.7535 174.8331 140 E 4.8271 9.6885 127.5082 54.7722 33.1663 175.0916 141 V 4.7260 8.2807 112.9958 59.7365 34.8709 175.6361 142 I 4.2723 9.2449 124.6097 59.7479 38.8563 175.9278 143 A 4.3956 7.9955 127.8483 52.0402 20.4082 174.9650 144 E 4.1431 8.3930 121.1987 57.0079 28.4521 176.7034 145 T 4.2148 8.2681 117.0515 61.1111 70.6317 173.5769 146 N 4.3378 8.8801 117.1813 54.8629 38.0139 173.7038 147 V 4.5477 6.9480 107.1259 58.0593 34.8993 173.8583 148 P 4.5806 0.0000 0.0000 62.7109 31.9200 175.8747 149 L 4.0751 7.9540 124.7637 56.0650 42.3991 176.8323 150 D 4.4473 8.8178 124.3743 52.4768 42.2638 173.8134 151 P 5.1568 0.0000 0.0000 64.1533 31.6205 177.5467 152 N 4.4628 9.1044 117.1970 55.4266 39.4306 175.3688 153 V 4.1852 7.7921 116.5992 63.8285 34.3354 175.3255 154 H 5.3990 9.3159 116.7338 54.1797 32.1432 174.1935 155 Q 4.3632 8.6358 120.5863 53.9491 31.1958 173.7394 156 A 4.7101 8.6716 128.5467 52.0042 18.6977 176.7720 157 I 4.4510 8.5722 115.0242 60.5309 39.2900 175.4046 158 A 4.4760 7.4260 121.9797 51.7054 22.0732 174.9652 159 M 5.3388 8.7083 119.3949 53.7778 35.3510 175.8344 160 V 4.5538 8.7343 122.4578 60.6191 35.3127 174.3846 161 E 5.1638 8.8547 121.3725 56.9670 30.0202 174.7659 162 S 4.6207 7.9840 115.8540 57.7846 64.6375 175.6911 163 D 4.8970 8.2656 121.6754 54.1032 42.3912 177.9391 164 D 4.5335 8.0686 118.5943 56.9187 41.0324 177.0525 165 V 4.3582 7.4102 109.1742 59.5367 35.7271 173.5078 166 A 4.0760 8.6597 126.6764 51.6926 18.8729 175.3309 167 P 4.5246 0.0000 0.0000 63.8877 32.1049 176.2454 168 G 4.1006 9.0217 109.8189 45.5607 0.0000 173.4941 169 N 4.8229 7.7131 116.6644 52.5422 39.8526 175.3399 170 V 3.7881 8.6553 124.1237 63.5987 32.9250 174.7202 171 L 4.6794 8.4322 128.6779 54.6635 45.1820 172.2800 172 G 3.8415 9.0875 121.6670 45.4478 0.0000 172.0935 173 I 4.3814 7.9756 125.7387 59.6330 37.2303 175.3487 174 M 4.2598 8.4446 126.0442 58.0555 32.3265 176.7695 175 Q 4.5784 7.6960 117.2765 54.8267 33.1318 173.6845 176 K 4.2484 8.8201 125.6202 56.3077 32.9740 176.6795 177 G 4.0761 8.8299 110.9944 45.1921 0.0000 172.0448 178 Y 5.5173 8.8124 117.2794 56.4727 42.9238 174.7272 179 T 5.1687 8.9459 111.6504 60.2092 71.9148 172.5328 180 L 5.3296 8.3115 124.6804 54.2928 41.9400 176.4182 181 N 4.3355 9.3944 120.2197 54.1157 36.0282 174.5448 182 G 4.2334 8.1170 112.8518 46.1100 0.0000 174.1237 183 R 3.7515 8.0820 125.4984 55.8089 29.6559 175.3577 184 T 3.8262 8.5111 122.2027 64.6215 68.5946 173.9102 185 I 4.2407 8.3963 127.0079 61.7655 39.5765 175.6445 186 R 4.4071 7.5894 119.6719 55.3936 32.7998 173.5666 187 A 4.5454 8.7706 129.3985 51.5152 19.6674 176.4566 188 A 4.1567 8.6064 124.4676 51.5643 19.2440 176.9311 189 M 4.5328 8.7498 122.4437 56.8753 33.3258 176.4797 190 V 4.6863 9.0671 116.3304 59.8869 37.3794 174.3616 191 T 5.5262 8.1745 110.4937 58.9530 70.6212 173.6662 192 V 4.0803 8.2506 127.2515 62.5322 33.2994 174.6980 193 A 4.7475 8.5633 129.8400 51.5326 18.8050 176.1820 194 K 4.7270 9.0253 122.9298 54.8490 35.1338 176.9540 195 A 4.1466 8.7055 125.4734 52.7535 18.2380 177.0578 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 38 D 8.22 4.61 0.00 2.69 2.72 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 39 P 0.00 4.07 0.00 2.29 2.09 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 40 R 8.11 4.51 0.00 1.82 1.95 0.00 3.29 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 41 D 8.05 4.57 0.00 2.68 2.67 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 0.00 0.00 0.00 0.00 42 E 8.39 4.18 0.00 2.17 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 0.00 2.30 2.31 0.00 43 K 7.43 4.02 0.00 1.90 1.95 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.43 7.81 44 V 8.76 3.63 2.30 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 0.97 0.00 0.00 0.95 0.00 0.00 45 A 8.10 3.93 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 46 N 7.89 4.20 0.00 2.80 2.84 0.00 0.00 7.36 6.54 0.00 0.00 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 L 7.68 3.94 0.00 1.92 1.70 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 48 E 7.91 4.09 0.00 2.19 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 2.34 2.64 0.00 49 A 8.34 3.94 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 Q 8.49 3.96 0.00 2.38 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 51 L 8.01 4.00 0.00 1.73 1.81 0.92 1.28 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 52 A 8.49 4.01 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 53 E 8.36 3.85 0.00 2.09 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 2.38 2.45 0.00 54 A 8.26 4.02 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.06 4.03 0.00 2.51 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 56 T 8.54 3.90 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 1.25 0.00 0.00 57 R 8.72 3.94 0.00 1.90 2.02 0.00 3.09 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 58 E 7.82 3.87 0.00 2.07 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 0.00 2.30 2.31 0.00 59 R 7.99 3.84 0.00 1.93 2.00 0.00 3.16 0.00 0.00 3.16 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 60 D 8.82 4.44 0.00 2.82 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 61 G 7.95 3.87 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 0.00 0.00 0.00 62 I 8.04 3.68 2.08 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 1.79 0.83 0.91 0.00 0.00 63 L 8.05 3.99 0.00 1.90 1.75 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 64 R 8.25 3.93 0.00 1.79 1.96 0.00 3.26 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 65 V 7.69 4.07 2.18 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 0.93 0.00 0.00 1.03 0.00 0.00 66 K 8.29 4.09 0.00 1.95 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.44 7.81 67 A 8.18 4.27 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 68 E 8.02 3.91 0.00 2.37 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 2.30 2.34 0.00 69 M 7.95 4.09 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.54 0.00 70 E 7.70 4.05 0.00 1.98 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 2.30 2.39 0.00 71 N 7.90 4.35 0.00 2.73 2.83 0.00 0.00 6.46 6.61 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 72 L 7.38 3.95 0.00 1.57 1.94 0.92 0.99 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 73 R 8.19 3.94 0.00 2.10 1.86 0.00 3.21 0.00 0.00 3.09 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 74 R 8.51 3.82 0.00 2.12 2.01 0.00 3.08 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 75 R 8.53 4.03 0.00 1.88 2.16 0.00 3.13 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 76 T 8.18 4.09 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 1.25 0.00 0.00 77 E 8.06 3.86 0.00 2.09 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 2.37 2.46 0.00 78 L 7.52 3.89 0.00 2.02 1.70 0.92 1.05 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 79 D 8.25 4.46 0.00 2.96 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 80 I 7.60 3.93 2.09 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 1.39 0.91 0.91 0.00 0.00 81 E 8.84 4.39 0.00 1.93 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 2.24 2.19 0.00 82 K 7.81 4.46 0.00 1.74 1.82 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.31 7.81 83 A 7.48 4.40 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.82 4.31 0.00 3.49 3.34 0.00 5.61 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 85 K 7.73 3.93 0.00 2.10 2.06 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.62 1.53 7.81 86 F 8.84 4.11 0.00 3.18 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 87 A 8.06 3.97 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.52 3.91 0.00 1.71 1.94 1.15 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 89 E 7.98 3.97 0.00 2.04 1.86 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 2.32 2.41 0.00 90 K 7.60 3.76 0.00 1.33 1.60 0.00 1.57 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.30 7.81 91 F 8.39 4.09 0.00 3.10 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 92 I 7.98 3.44 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.00 0.82 0.00 0.00 93 N 7.82 4.33 0.00 2.93 2.64 0.00 0.00 6.93 7.51 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 94 E 8.18 3.91 0.00 1.80 1.93 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 2.28 2.45 0.00 95 L 7.47 3.84 0.00 1.23 1.44 0.68 0.09 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 96 L 7.66 3.64 0.00 1.75 1.62 0.97 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 97 P 0.00 4.53 0.00 2.21 2.27 0.00 3.81 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 2.17 1.82 0.00 98 V 7.53 3.52 2.13 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 0.94 0.00 0.00 0.85 0.00 0.00 99 I 7.52 3.67 1.87 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.46 0.92 0.00 0.00 100 D 8.21 4.58 0.00 2.90 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 0.00 101 S 8.09 4.16 0.00 4.11 3.90 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 0.00 102 L 7.57 4.00 0.00 1.83 1.72 0.91 1.06 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 0.00 103 D 8.01 4.29 0.00 2.94 2.72 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 0.00 104 R 8.14 3.85 0.00 1.77 2.13 0.00 3.25 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 105 A 8.19 4.13 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.28 4.17 0.00 1.71 1.73 0.92 0.89 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 0.00 107 E 8.03 4.69 0.00 2.02 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 0.00 2.18 2.10 0.00 108 V 7.51 4.48 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 0.89 0.00 0.00 0.93 0.00 0.00 *116 M 8.20 4.58 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 117 S 8.07 4.11 0.00 3.65 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 0.00 118 A 7.74 4.36 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 0.00 119 M 8.09 4.27 0.00 2.29 2.06 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.65 0.00 120 V 7.90 3.56 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 1.02 0.00 0.00 0.96 0.00 0.00 121 E 7.77 3.94 0.00 2.10 2.13 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 2.31 2.37 0.00 122 D 8.26 4.25 0.00 2.96 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 0.00 123 I 7.78 4.01 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 1.56 0.87 0.91 0.00 0.00 124 E 8.42 4.16 0.00 2.25 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 2.31 2.36 0.00 125 L 7.37 4.14 0.00 1.85 1.78 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 126 T 8.44 3.86 4.37 0.00 0.00 0.00 0.00 0.00 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 0.00 127 L 7.84 3.91 0.00 2.01 1.67 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 128 K 7.96 3.86 0.00 2.05 1.82 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.16 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.48 7.81 129 S 8.09 4.35 0.00 4.14 4.12 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 0.00 130 M 8.08 3.93 0.00 2.06 2.31 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.71 0.00 131 L 8.07 4.01 0.00 1.91 1.75 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 132 D 8.29 4.41 0.00 2.82 2.78 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 0.00 0.00 0.00 133 V 8.30 3.82 2.37 0.00 0.00 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 1.01 0.00 0.00 134 V 7.77 3.69 2.31 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 0.97 0.00 0.00 0.86 0.00 0.00 135 R 8.11 4.28 0.00 2.25 2.00 0.00 3.26 0.00 0.00 3.29 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 136 K 7.43 3.61 0.00 2.47 1.85 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.61 7.81 137 F 9.26 4.55 0.00 2.99 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 0.00 138 G 9.19 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 0.00 139 V 7.72 4.45 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 0.98 0.00 0.00 0.95 0.00 0.00 140 E 9.69 4.83 0.00 1.91 1.86 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 2.27 2.43 0.00 141 V 8.28 4.73 1.74 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 1.00 0.00 0.00 0.90 0.00 0.00 142 I 9.24 4.27 1.67 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.74 0.90 0.00 0.00 143 A 8.00 4.40 1.13 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 0.00 0.00 144 E 8.39 4.14 0.00 1.93 1.88 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 2.27 2.28 0.00 145 T 8.27 4.21 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 0.00 146 N 8.88 4.34 0.00 2.79 2.89 0.00 0.00 7.01 7.73 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 0.00 147 V 6.95 4.55 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 0.72 0.00 0.00 1.02 0.00 0.00 148 P 0.00 4.58 0.00 1.94 2.01 0.00 3.71 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 2.04 2.18 0.00 149 L 7.95 4.08 0.00 1.60 1.61 0.93 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 150 D 8.82 4.45 0.00 2.64 2.31 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 0.00 151 P 0.00 5.16 0.00 2.07 2.11 0.00 3.77 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 152 N 9.10 4.46 0.00 2.61 3.19 0.00 0.00 6.92 7.96 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 0.00 153 V 7.79 4.19 1.73 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 0.86 0.00 0.00 0.85 0.00 0.00 154 H 9.32 5.40 0.00 3.14 3.12 0.00 5.63 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 Q 8.64 4.36 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.00 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 156 A 8.67 4.71 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 0.00 157 I 8.57 4.45 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 1.22 0.83 0.91 0.00 0.00 158 A 7.43 4.48 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 0.00 159 M 8.71 5.34 0.00 1.87 1.95 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 160 V 8.73 4.55 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 0.69 0.00 0.00 0.92 0.00 0.00 161 E 8.85 5.16 0.00 1.77 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 2.23 1.73 0.00 162 S 7.98 4.62 0.00 3.80 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 0.00 163 D 8.27 4.90 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 0.00 164 D 8.07 4.53 0.00 2.65 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 0.00 165 V 7.41 4.36 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 0.56 0.00 0.00 0.95 0.00 0.00 166 A 8.66 4.08 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 0.00 167 P 0.00 4.52 0.00 2.05 2.07 0.00 3.64 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 2.02 2.07 0.00 168 G 9.02 4.10 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 0.00 0.00 0.00 169 N 7.71 4.82 0.00 2.93 2.73 0.00 0.00 6.49 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 0.00 170 V 8.66 3.79 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 0.71 0.00 0.00 0.65 0.00 0.00 171 L 8.43 4.68 0.00 1.63 1.45 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 172 G 9.09 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 0.00 173 I 7.98 4.38 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.91 0.89 0.00 0.00 174 M 8.44 4.26 0.00 1.89 2.12 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.47 0.00 175 Q 7.70 4.58 0.00 2.09 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.00 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 176 K 8.82 4.25 0.00 1.56 1.25 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.73 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.38 7.81 177 G 8.83 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 0.00 178 Y 8.81 5.52 0.00 2.85 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 T 8.95 5.17 4.39 0.00 0.00 0.00 0.00 0.00 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 0.00 180 L 8.31 5.33 0.00 1.88 1.91 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 181 N 9.39 4.34 0.00 2.94 3.01 0.00 0.00 7.43 7.65 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 0.00 182 G 8.12 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 0.00 0.00 0.00 0.00 183 R 8.08 3.75 0.00 1.87 1.92 0.00 3.22 0.00 0.00 3.36 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 184 T 8.51 3.83 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 1.27 0.00 0.00 185 I 8.40 4.24 1.90 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 1.12 0.82 1.05 0.00 0.00 186 R 7.59 4.41 0.00 1.94 1.85 0.00 3.43 0.00 0.00 3.41 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 187 A 8.77 4.55 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 0.00 188 A 8.61 4.16 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 0.00 189 M 8.75 4.53 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.59 0.00 190 V 9.07 4.69 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 0.70 0.00 0.00 0.91 0.00 0.00 191 T 8.17 5.53 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 1.20 0.00 0.00 192 V 8.25 4.08 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 1.05 0.00 0.00 0.91 0.00 0.00 193 A 8.56 4.75 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 0.00 194 K 9.03 4.73 0.00 1.77 1.92 0.00 1.33 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.37 7.81 195 A 8.71 4.15 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 * Residues marked with a * may have inaccurate shift predictions.