NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3962 0.0000 0.0000 61.4565 33.4324 176.1112 3 R 4.4269 8.0927 119.0980 54.8945 33.6947 169.1353 4 V 4.6432 8.8720 118.4270 59.5016 35.3655 175.2111 5 V 3.9948 8.3619 115.5760 60.2619 32.0707 176.0513 6 P 4.4745 0.0000 0.0000 65.2971 31.4981 176.1593 7 D 4.8093 7.4277 116.4310 51.0548 41.1013 175.3199 8 Q 4.0009 8.4321 122.9566 58.6437 29.2109 177.9799 9 R 2.5393 7.7361 118.7560 59.1331 29.9898 178.0411 10 S 3.9890 7.7869 112.6847 61.4526 62.4728 176.1268 11 K 4.0056 8.0145 122.1523 59.4864 31.6895 178.5531 12 F 3.5028 8.0261 120.4963 60.6535 39.2652 176.4295 13 E 4.1287 8.0006 117.2902 58.3203 29.7120 177.7594 14 N 4.6185 7.9889 115.1656 53.7002 39.6014 175.5450 15 E 4.2768 7.7170 120.6276 55.4452 30.6041 176.8477 16 E 3.8460 9.1142 124.4239 59.5382 29.2520 178.5849 17 F 3.8897 8.1513 118.7897 61.5603 39.4779 176.8192 18 F 3.9665 7.7817 116.3849 60.2972 38.8410 177.7594 19 R 3.7442 7.8190 117.6482 59.1987 29.7517 178.8579 20 K 4.1454 7.9938 115.1689 57.5888 32.1979 177.3214 21 L 4.3571 7.6585 118.4256 54.1130 43.2230 178.3880 22 S 4.6175 7.8389 114.3766 59.7154 63.1000 174.3195 23 R 4.7378 7.4833 118.1404 53.6944 32.4013 175.8998 24 E 4.1947 8.7597 121.0398 57.6670 30.1327 176.3002 25 C 4.7466 8.9736 117.5553 56.2960 33.9867 172.7739 26 E 4.3820 8.9318 120.8356 57.2497 29.9429 175.7769 27 I 4.9068 8.4146 119.8898 59.2918 41.7577 174.4238 28 K 4.5779 8.5181 122.3216 55.2342 36.1436 174.1392 29 Y 4.8337 8.6202 129.3396 58.4828 39.5058 176.5358 30 T 4.3289 8.3019 114.9353 60.7987 69.8285 174.5184 31 G 3.5029 5.9266 110.3185 46.0060 0.0000 174.1031 32 F 3.5780 7.9228 116.3986 57.8806 35.9359 177.2896 33 R 3.7703 7.8464 126.3000 59.1763 30.5460 176.3595 34 D 4.7958 6.9790 117.9085 50.0644 38.0192 175.4227 35 R 4.4534 7.5901 120.3494 54.0490 34.4040 173.4522 36 P 4.2467 0.0000 0.0000 63.8458 32.4160 176.3708 37 H 4.0372 9.0600 120.6580 59.7196 29.7409 176.9030 38 E 4.3746 8.2027 120.7483 58.8487 29.2770 178.6982 39 E 3.8486 8.1669 118.4855 59.4926 29.7197 178.7814 40 R 3.9413 8.0483 117.8505 59.5674 30.0560 178.8913 41 Q 4.0307 8.4185 117.8222 59.0296 28.6036 179.1662 42 A 3.9528 7.8420 121.4616 55.0748 18.4496 179.6640 43 R 3.6661 7.9784 116.8669 59.4232 30.1704 178.7462 44 F 3.5627 8.5071 120.4362 61.4369 39.3007 177.1072 45 Q 3.6524 7.8941 118.3795 59.0719 28.7093 177.8549 46 N 4.2746 8.4675 117.7640 56.1473 38.5158 177.1773 47 A 4.0289 8.3642 122.5583 55.5119 18.4731 179.4506 48 C 4.0086 7.7549 115.0717 63.0226 27.9031 176.5399 49 R 4.0425 7.6993 117.9851 58.2797 29.7406 177.6652 50 D 4.8486 7.6610 116.8896 53.7144 41.3833 177.0802 51 G 3.7222 8.3112 108.8197 45.3601 0.0000 172.8321 52 R 5.3438 8.3173 114.5588 52.5811 33.0691 174.0269 53 S 4.9587 7.4171 114.5598 58.5371 65.8377 175.4549 54 E 4.8822 8.5128 122.4277 54.7241 31.5431 175.1833 55 I 5.0113 8.4767 125.3912 59.4436 41.1049 175.0743 56 A 5.0090 8.5835 128.4200 50.4954 22.1493 176.0288 57 F 4.6292 9.0027 118.9413 56.2846 39.2991 177.1333 58 V 3.5252 8.3425 124.8425 66.0234 31.5863 177.2219 59 A 4.1818 8.3112 120.9454 55.4572 18.1307 178.5467 60 T 4.0906 7.9512 103.1699 62.0631 69.5794 175.9386 61 G 3.8322 8.7083 110.0282 45.9214 0.0000 173.3934 62 T 4.3463 7.7131 117.4262 62.9557 68.8714 174.1334 63 N 5.0439 8.7816 124.1740 53.0219 40.1776 174.9696 64 L 4.7297 8.1572 119.8466 53.4478 46.7035 174.8260 65 S 4.9984 8.6107 117.7817 56.7491 64.0093 172.9863 66 L 4.5534 9.1611 127.4760 52.7875 44.7055 175.3269 67 Q 4.5433 8.1018 120.7419 53.6915 31.2268 176.1215 68 F 5.5000 8.4137 128.4617 55.2248 36.4255 175.1346 69 F 4.4023 7.4440 116.8158 54.7014 43.7451 173.3188 70 P 4.1934 0.0000 0.0000 62.2672 31.7716 177.4741 71 A 3.6422 9.0033 127.4568 56.3238 18.2196 179.9352 72 S 4.2228 7.8099 110.0035 58.9920 62.6518 175.1607 73 W 3.6329 8.2258 117.3835 55.9507 30.2699 174.3121 *78 R 4.0527 8.2298 119.4900 56.9355 30.1179 172.6108 79 Q 4.6900 8.0164 115.9610 53.9145 31.5597 172.2881 80 T 4.2736 8.7578 120.4297 61.8059 69.1987 172.8281 81 P 4.3457 0.0000 0.0000 62.4938 32.2576 176.4603 82 S 4.5436 8.3991 115.2128 57.8095 64.2396 174.7082 83 R 4.8267 8.3026 117.2712 57.3866 30.0826 177.7853 84 E 4.0247 7.7906 118.6392 58.5119 30.0288 176.7050 85 Y 4.3758 8.0283 114.9099 58.3979 40.6067 175.5663 86 V 4.0671 8.0601 118.4769 61.3758 34.5228 173.5094 87 D 4.8915 9.1127 129.2380 52.7449 42.3539 176.3246 88 L 4.3778 8.7029 126.4154 55.6259 42.9090 178.0730 89 E 4.1696 8.9578 116.6368 59.6990 30.5801 180.1512 90 R 3.2953 7.9035 118.8316 57.6212 31.5885 176.1313 91 E 4.3331 8.2046 120.0196 54.6835 31.8958 174.2881 92 A 4.0873 8.4443 126.9086 53.5760 19.0692 177.6328 93 G 4.0771 9.9970 108.6937 45.1656 0.0000 172.9686 94 K 5.3132 7.6801 116.7668 55.5159 36.3694 175.8304 95 V 4.8834 8.7165 119.6109 60.2282 34.5217 174.0447 96 Y 4.9321 9.0713 121.7586 56.7945 39.8287 174.5454 97 L 5.1618 9.7419 124.8690 52.7259 45.4379 175.3534 98 K 5.4635 9.0074 122.9506 54.7621 35.6819 174.8316 99 A 5.2620 9.7178 128.7512 49.4334 22.2115 173.6879 100 P 5.1397 0.0000 0.0000 62.5527 32.9974 175.3332 101 M 4.2055 7.8448 118.5109 55.6700 35.0109 173.9876 102 I 4.7406 8.5071 120.2294 59.5771 38.6598 175.0178 103 L 4.6747 8.8851 128.2648 54.5509 43.7188 176.2216 104 N 4.1517 10.0226 124.9188 54.5050 36.2113 175.1603 105 G 4.0620 8.3209 104.4333 45.5702 0.0000 173.1944 106 V 4.7987 8.0282 113.6167 59.1999 34.7336 174.5946 107 C 4.7846 10.0067 123.2151 60.1221 28.8106 173.2928 108 V 4.8927 8.8487 116.4481 59.5401 36.3535 174.5071 109 I 4.9282 9.0122 122.2239 59.4474 40.6253 174.5495 110 W 5.2926 9.5772 135.0000 56.0555 32.4374 174.9249 111 K 5.1977 8.2626 126.2718 54.6759 35.4665 175.6606 112 G 3.7583 8.1827 110.1176 45.6032 0.0000 171.6854 113 W 5.4518 7.7286 116.3450 54.6098 32.0215 174.4401 114 I 5.0287 8.8028 120.6947 59.5007 41.3579 174.1787 115 D 4.8985 9.5294 126.7729 53.9171 41.3964 177.2363 116 L 4.1850 8.9537 127.3364 57.3319 41.9060 178.2680 117 Q 4.2825 8.1320 118.7598 58.3727 29.6014 176.9911 118 R 4.0368 8.7040 116.7143 57.2869 30.5940 177.4768 119 L 3.3877 8.6711 116.5949 55.5812 39.5623 173.3681 120 D 5.2944 8.3243 117.9465 52.0751 44.7940 174.4573 121 G 3.2752 6.4147 103.9252 45.8373 0.0000 170.9819 122 M 4.7734 5.8600 117.3605 53.5616 36.1754 175.0303 123 G 3.8273 8.2302 107.2822 46.1320 0.0000 171.3007 124 C 5.0848 8.3121 114.6189 57.5929 33.7723 172.5614 125 L 5.3804 9.0062 119.1920 53.5771 43.7397 176.0194 126 E 4.9165 9.2299 121.0796 54.3179 33.8992 174.7931 127 F 3.7398 8.2126 126.1037 58.1492 40.3039 174.9746 128 D 4.2702 8.0399 127.1452 52.5815 40.1270 176.2012 129 E 3.4528 8.1410 123.9787 58.9047 29.4877 178.3016 130 E 3.8141 7.7814 116.8428 59.4685 29.7173 178.5491 131 R 4.3364 8.2877 119.1550 58.3230 30.1008 178.3708 132 A 4.0635 7.7362 121.0508 55.2975 18.2293 179.5551 133 Q 4.1120 7.6985 114.0832 58.2572 28.9521 177.9587 134 Q 4.2897 7.7107 117.2046 56.6720 28.8791 175.6986 135 E 4.1789 7.8114 124.4585 56.5149 29.6130 176.2586 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 2 P 0.00 4.40 0.00 2.04 1.94 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.03 0.00 3 R 8.09 4.43 0.00 1.77 1.76 0.00 3.24 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.79 0.00 4 V 8.87 4.64 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 0.87 0.00 0.00 0.96 0.00 0.00 5 V 8.36 3.99 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 0.87 0.00 0.00 1.05 0.00 0.00 6 P 0.00 4.47 0.00 2.19 2.21 0.00 3.73 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 2.00 1.97 0.00 7 D 7.43 4.81 0.00 2.62 2.53 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 8 Q 8.43 4.00 0.00 2.37 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.64 0.00 0.00 0.00 0.00 0.00 2.72 2.63 0.00 9 R 7.74 2.54 0.00 1.21 1.68 0.00 3.14 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.22 0.00 10 S 7.79 3.99 0.00 3.96 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 0.00 11 K 8.01 4.01 0.00 1.93 1.96 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.30 0.00 0.00 3.65 0.00 0.00 0.00 0.00 1.74 1.81 7.81 12 F 8.03 3.50 0.00 2.69 2.83 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 13 E 8.00 4.13 0.00 1.95 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 2.36 2.56 0.00 14 N 7.99 4.62 0.00 2.71 2.86 0.00 0.00 7.07 7.30 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 15 E 7.72 4.28 0.00 2.49 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 2.38 2.34 0.00 16 E 9.11 3.85 0.00 2.01 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 2.35 2.35 0.00 17 F 8.15 3.89 0.00 2.83 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 18 F 7.78 3.97 0.00 2.85 2.16 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 19 R 7.82 3.74 0.00 1.76 1.88 0.00 3.17 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.83 0.00 20 K 7.99 4.15 0.00 1.58 1.67 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.38 7.81 21 L 7.66 4.36 0.00 1.42 1.25 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 22 S 7.84 4.62 0.00 3.90 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 23 R 7.48 4.74 0.00 1.64 1.81 0.00 3.22 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 24 E 8.76 4.19 0.00 1.86 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 2.31 2.37 0.00 25 C 8.97 4.75 0.00 3.00 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 26 E 8.93 4.38 0.00 2.05 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 2.34 2.28 0.00 27 I 8.41 4.91 1.81 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.81 0.59 0.00 0.00 28 K 8.52 4.58 0.00 1.81 1.62 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.64 7.81 29 Y 8.62 4.83 0.00 2.78 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 30 T 8.30 4.33 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 1.28 0.00 0.00 31 G 5.93 3.50 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 0.00 32 F 7.92 3.58 0.00 3.29 3.48 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 33 R 7.85 3.77 0.00 1.82 1.96 0.00 3.21 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 34 D 6.98 4.80 0.00 2.66 2.69 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 35 R 7.59 4.45 0.00 1.87 2.07 0.00 3.70 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 36 P 0.00 4.25 0.00 2.41 2.24 0.00 3.87 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.07 0.00 37 H 9.06 4.04 0.00 3.29 3.40 0.00 5.88 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 38 E 8.20 4.37 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 2.42 2.33 0.00 39 E 8.17 3.85 0.00 2.01 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 2.23 2.34 0.00 40 R 8.05 3.94 0.00 2.10 2.20 0.00 3.44 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.99 0.00 41 Q 8.42 4.03 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 42 A 7.84 3.95 1.29 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 0.00 0.00 0.00 43 R 7.98 3.67 0.00 1.92 1.70 0.00 2.21 0.00 0.00 2.65 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.58 0.00 44 F 8.51 3.56 0.00 1.71 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 45 Q 7.89 3.65 0.00 2.42 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 46 N 8.47 4.27 0.00 2.83 2.83 0.00 0.00 6.91 6.62 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 47 A 8.36 4.03 1.51 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 48 C 7.75 4.01 0.00 2.78 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 49 R 7.70 4.04 0.00 1.95 1.98 0.00 3.13 0.00 0.00 3.20 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 50 D 7.66 4.85 0.00 2.81 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 51 G 8.31 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 52 R 8.32 5.34 0.00 1.72 1.91 0.00 3.23 0.00 0.00 3.04 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 53 S 7.42 4.96 0.00 4.19 3.99 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 54 E 8.51 4.88 0.00 1.83 1.77 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 2.25 2.33 0.00 55 I 8.48 5.01 1.69 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.16 1.03 0.00 0.00 56 A 8.58 5.01 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 57 F 9.00 4.63 0.00 3.07 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 58 V 8.34 3.53 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 0.74 0.00 0.00 0.93 0.00 0.00 59 A 8.31 4.18 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 60 T 7.95 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 1.12 0.00 0.00 61 G 8.71 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 0.00 0.00 0.00 62 T 7.71 4.35 4.48 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 1.50 0.00 0.00 63 N 8.78 5.04 0.00 2.63 2.74 0.00 0.00 6.94 7.85 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 64 L 8.16 4.73 0.00 1.67 1.37 1.34 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.61 5.00 0.00 3.81 3.68 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 66 L 9.16 4.55 0.00 0.78 0.81 -0.80 -0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.10 4.54 0.00 1.92 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.17 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 68 F 8.41 5.50 0.00 2.57 3.06 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 0.00 0.00 0.00 69 F 7.44 4.40 0.00 2.86 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 70 P 0.00 4.19 0.00 2.19 2.02 0.00 3.52 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.79 0.00 71 A 9.00 3.64 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 72 S 7.81 4.22 0.00 3.64 3.79 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 73 W 8.23 3.63 0.00 3.44 3.19 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 *78 R 8.23 4.05 0.00 1.85 1.76 0.00 3.32 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 79 Q 8.02 4.69 0.00 2.01 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.90 0.00 0.00 0.00 0.00 0.00 2.04 1.78 0.00 80 T 8.76 4.27 4.30 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 1.25 0.00 0.00 81 P 0.00 4.35 0.00 2.03 1.47 0.00 3.90 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 82 S 8.40 4.54 0.00 4.12 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 0.00 83 R 8.30 4.83 0.00 1.84 2.02 0.00 3.26 0.00 0.00 3.81 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 84 E 7.79 4.02 0.00 2.03 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 0.00 1.89 2.14 0.00 85 Y 8.03 4.38 0.00 3.01 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 86 V 8.06 4.07 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 0.83 0.00 0.00 0.76 0.00 0.00 87 D 9.11 4.89 0.00 3.01 2.59 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 88 L 8.70 4.38 0.00 1.67 1.71 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.96 4.17 0.00 2.10 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 0.00 2.29 2.21 0.00 90 R 7.90 3.30 0.00 1.90 1.86 0.00 2.68 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.33 0.00 91 E 8.20 4.33 0.00 2.11 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 2.16 2.17 0.00 92 A 8.44 4.09 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 93 G 10.00 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 94 K 7.68 5.31 0.00 1.99 1.77 0.00 0.91 0.00 0.00 1.36 0.00 0.00 2.53 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.36 1.33 7.81 95 V 8.72 4.88 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 0.85 0.00 0.00 0.94 0.00 0.00 96 Y 9.07 4.93 0.00 3.01 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 97 L 9.74 5.16 0.00 1.89 1.10 0.99 -0.64 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 98 K 9.01 5.46 0.00 1.76 1.43 0.00 1.29 0.00 0.00 0.63 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.38 7.81 99 A 9.72 5.26 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 0.00 100 P 0.00 5.14 0.00 2.00 2.08 0.00 3.90 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 2.39 2.39 0.00 101 M 7.84 4.21 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 102 I 8.51 4.74 1.90 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 1.32 0.65 1.02 0.00 0.00 103 L 8.89 4.67 0.00 1.99 1.96 1.11 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 104 N 10.02 4.15 0.00 3.02 2.83 0.00 0.00 7.19 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 0.00 105 G 8.32 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 106 V 8.03 4.80 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 0.83 0.00 0.00 0.80 0.00 0.00 107 C 10.01 4.78 0.00 2.75 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 0.00 108 V 8.85 4.89 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 1.17 0.00 0.00 1.19 0.00 0.00 109 I 9.01 4.93 1.91 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 1.17 0.84 1.03 0.00 0.00 110 W 9.58 5.29 0.00 3.52 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 0.00 111 K 8.26 5.20 0.00 1.66 1.65 0.00 2.13 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.41 7.81 112 G 8.18 3.76 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 0.00 0.00 0.00 113 W 7.73 5.45 0.00 2.69 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 0.00 0.00 0.00 0.00 114 I 8.80 5.03 2.05 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 0.98 0.92 0.45 0.00 0.00 115 D 9.53 4.90 0.00 2.91 2.62 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 0.00 0.00 0.00 116 L 8.95 4.18 0.00 1.75 1.79 0.97 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 8.13 4.28 0.00 2.03 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.11 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 118 R 8.70 4.04 0.00 1.82 2.26 0.00 3.36 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 119 L 8.67 3.39 0.00 1.83 1.69 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 120 D 8.32 5.29 0.00 2.63 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 0.00 121 G 6.41 3.28 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 0.00 122 M 5.86 4.77 0.00 1.71 1.51 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.17 0.00 123 G 8.23 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 0.00 0.00 0.00 124 C 8.31 5.08 0.00 3.12 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 0.00 125 L 9.01 5.38 0.00 2.01 2.10 1.46 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 126 E 9.23 4.92 0.00 1.99 1.75 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 2.27 2.27 0.00 127 F 8.21 3.74 0.00 1.75 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 0.00 128 D 8.04 4.27 0.00 2.58 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 0.00 0.00 0.00 0.00 129 E 8.14 3.45 0.00 1.93 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 2.61 2.39 0.00 130 E 7.78 3.81 0.00 1.91 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 2.27 2.34 0.00 131 R 8.29 4.34 0.00 1.90 1.82 0.00 3.16 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.48 0.00 132 A 7.74 4.06 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 0.00 133 Q 7.70 4.11 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.66 0.00 134 Q 7.71 4.29 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.96 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 135 E 7.81 4.18 0.00 2.18 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 2.57 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.