NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 D 4.6503 8.3649 119.5546 52.2774 41.9072 176.1304 3 P 4.3199 0.0000 0.0000 61.4847 32.1024 174.3665 4 A 4.2875 9.1172 124.8063 52.2142 20.0253 176.7660 5 L 4.6865 8.0936 118.8963 52.8766 43.8140 176.8710 6 A 4.4197 8.4191 122.7620 52.2752 19.6552 176.0822 7 D 5.5701 8.6534 119.3592 51.7352 42.1864 176.0960 8 V 4.5363 8.6238 119.7566 59.8896 34.7250 174.5334 9 C 4.7628 8.8302 122.3205 56.6634 36.2750 174.3922 10 R 3.7382 8.6620 124.9288 59.8133 29.6480 178.4563 11 T 4.0803 7.7381 105.4033 63.1320 68.9277 174.9769 12 K 4.2860 7.6931 120.7766 56.3917 32.6524 176.8954 13 L 3.8471 7.2692 119.2549 53.2464 42.3878 175.2216 14 P 4.3124 0.0000 0.0000 62.6187 32.1111 177.7956 15 S 4.0891 8.6985 116.4504 61.9903 62.7025 176.9414 16 Q 4.1416 8.0800 120.7082 58.5533 28.4501 178.4354 17 A 4.0336 7.7894 121.9786 55.1562 18.3254 179.6848 18 Q 3.8931 7.8658 116.1141 59.1321 28.8259 178.4669 19 D 4.3710 8.2573 119.9677 57.7951 40.7055 179.0919 20 T 3.9883 8.0492 116.1525 66.5961 68.4326 176.7335 21 L 4.0240 8.0258 120.7716 57.7300 41.4612 179.4860 22 A 3.9914 8.0139 120.7543 55.0142 18.2362 179.6728 23 L 3.8849 7.9893 117.5732 57.9834 41.6854 179.7776 24 I 3.9341 8.1971 120.8961 63.8646 36.7869 178.4111 25 A 4.0508 7.8511 120.3729 54.3561 18.2633 178.8015 26 K 4.1872 7.4887 114.5614 55.3285 32.8092 175.9171 27 N 4.1037 8.9462 116.9945 54.9027 37.7483 172.9069 28 G 2.7845 7.6207 103.0330 42.7660 0.0000 172.1698 29 P 4.2524 0.0000 0.0000 62.3704 32.3382 174.8679 30 Y 4.9872 7.9566 116.5404 55.4865 40.2191 175.5838 31 P 4.2238 0.0000 0.0000 64.8132 32.0679 176.0662 32 Y 4.8742 8.0044 115.7419 55.7531 40.7880 176.4970 33 N 4.4870 8.9624 120.2361 56.4328 38.9618 176.5104 34 R 4.2120 8.0464 115.1907 56.9242 30.6673 175.9192 35 D 4.2601 7.7193 119.7493 55.5554 41.0226 176.8251 36 G 3.4330 7.8795 113.0541 44.7273 0.0000 173.9384 37 V 3.9411 7.0801 113.0351 60.6264 33.0417 175.8762 38 V 3.9660 8.3170 122.7790 63.1977 32.2249 174.9084 39 F 4.6829 8.7356 130.6115 56.7084 39.6531 175.5085 40 E 3.8900 8.3240 126.2689 56.9539 30.1838 176.1377 41 N 3.6507 6.4590 116.3261 54.0685 37.3445 175.9356 42 R 3.8143 7.7194 116.9947 59.1575 29.1629 177.9496 43 E 4.2924 8.0587 114.8377 55.5906 29.7178 176.2977 44 S 3.9556 7.6994 113.8823 59.6321 61.0085 174.1934 45 R 4.0644 7.5039 119.6871 58.5654 30.2754 177.7756 46 L 4.1331 7.3342 116.4070 52.1178 42.9086 174.6310 47 P 4.1822 0.0000 0.0000 62.9302 31.7176 176.3347 48 K 4.1156 8.4853 123.8797 56.3154 32.6194 175.9227 49 K 4.4485 8.2376 124.1443 54.2035 36.5784 175.6675 50 G 3.7808 8.1421 108.5772 45.0628 0.0000 172.5216 51 N 4.4089 8.4417 118.4609 55.0806 39.1109 175.2203 52 G 3.9681 8.9320 113.3401 45.4855 0.0000 173.4563 53 Y 3.9764 7.9918 121.3042 59.8059 39.1445 175.0800 54 Y 5.9275 7.7378 116.2450 55.9422 40.8442 174.7891 55 H 5.5211 8.7422 116.2897 53.9459 33.4294 172.2182 56 E 5.2013 8.7204 118.4757 54.7894 32.6162 174.8860 57 F 5.1104 9.0384 119.2140 56.0531 43.6434 174.2133 58 T 4.3801 9.6900 120.1669 63.5149 69.1632 174.1334 59 V 4.5906 8.1668 125.6411 60.0411 33.1865 175.8477 60 V 3.7423 8.7072 127.7880 63.4422 32.3106 175.3374 61 T 4.4910 8.3542 123.5112 61.4077 68.5260 173.7032 62 P 4.3321 0.0000 0.0000 64.9203 31.5775 177.9159 63 G 4.0188 8.0555 104.7116 45.0290 0.0000 173.0711 64 S 4.8903 7.2909 113.3323 55.8768 65.5652 174.1734 65 N 4.4471 8.7297 119.5739 55.4865 37.4855 175.2639 66 D 4.7346 7.7092 117.2356 51.5550 41.1219 176.0804 67 R 3.7390 8.4023 119.2588 57.7349 30.0720 177.1262 68 G 3.7844 7.4054 105.0989 44.9476 0.0000 172.5711 69 T 4.3073 8.0116 106.4972 61.3429 70.4400 174.0916 70 R 4.5021 7.6732 122.6275 55.9630 31.6980 175.6101 71 R 5.2233 8.5022 121.3204 54.6565 35.2702 174.0202 72 V 5.0969 9.0613 121.6911 61.2584 34.6559 174.3410 73 V 5.1313 9.1454 127.4550 61.4114 34.2001 174.3018 74 T 5.2286 9.3359 118.0410 60.2892 71.7539 173.8667 75 G 4.2385 9.0616 110.9055 44.1122 0.0000 174.6953 76 G 3.1443 6.1429 107.8581 47.2004 0.0000 174.1025 77 Y 4.3628 8.1532 116.6186 57.7037 38.0517 176.5495 78 G 3.9577 8.1653 107.6442 45.1021 0.0000 174.1012 79 E 4.1542 7.9972 119.0598 56.5987 30.8720 175.9174 80 Q 5.0526 8.2688 120.4989 54.4056 33.1224 173.7120 81 Y 5.3465 9.3524 120.6993 56.0149 42.0151 174.1396 82 W 5.5255 9.6572 133.7715 55.9854 33.4482 174.7066 83 S 4.3219 8.4553 121.1643 55.7881 64.3046 172.6121 84 P 3.6498 0.0000 0.0000 63.6484 31.8505 175.7420 85 D 4.5493 6.6110 119.4648 53.4794 39.9708 174.4855 86 H 3.0824 8.4636 113.9626 58.6307 28.5022 174.4056 87 Y 3.1130 7.3905 112.9086 57.8907 36.3134 170.8660 88 A 4.1308 7.4368 124.5619 54.2894 18.7275 178.4379 89 T 4.7021 7.7477 103.7251 59.7772 71.8165 173.1720 90 F 5.2428 8.5543 120.2318 55.9729 42.9952 174.1353 91 Q 5.0459 9.2781 120.8013 54.0817 32.2970 174.3982 92 E 4.6403 9.2984 124.9430 55.9513 31.0889 175.4629 93 I 4.4365 8.4950 128.6941 61.0392 38.3698 174.9518 94 D 4.8106 9.1625 128.1953 52.0372 41.6086 175.2616 95 P 4.4182 0.0000 0.0000 64.7838 31.6629 177.4935 96 R 4.2383 8.0978 117.5259 57.3965 30.7436 174.0277 97 C 4.4854 7.7749 118.0748 55.5165 42.8977 173.6848 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 D 8.36 4.65 0.00 2.44 2.51 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 3 P 0.00 4.32 0.00 2.14 2.02 0.00 3.66 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 4 A 9.12 4.29 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 5 L 8.09 4.69 0.00 1.79 1.75 1.05 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.42 4.42 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 7 D 8.65 5.57 0.00 2.69 2.70 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 8 V 8.62 4.54 2.41 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 1.09 0.00 0.00 0.89 0.00 0.00 9 C 8.83 4.76 0.00 2.98 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 10 R 8.66 3.74 0.00 1.89 2.02 0.00 3.28 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 11 T 7.74 4.08 4.20 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 1.21 0.00 0.00 12 K 7.69 4.29 0.00 1.84 1.84 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.52 7.81 13 L 7.27 3.85 0.00 1.51 1.07 0.70 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.31 0.00 2.07 1.95 0.00 2.67 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 15 S 8.70 4.09 0.00 4.02 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 16 Q 8.08 4.14 0.00 2.13 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.97 0.00 0.00 0.00 0.00 0.00 2.48 2.56 0.00 17 A 7.79 4.03 0.90 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 0.00 0.00 18 Q 7.87 3.89 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 19 D 8.26 4.37 0.00 2.91 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 20 T 8.05 3.99 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 1.36 0.00 0.00 21 L 8.03 4.02 0.00 1.83 1.68 0.87 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.01 3.99 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 23 L 7.99 3.88 0.00 1.98 1.71 1.06 0.72 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 24 I 8.20 3.93 1.84 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 1.34 0.71 0.00 0.00 25 A 7.85 4.05 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 26 K 7.49 4.19 0.00 1.72 1.79 0.00 1.81 0.00 0.00 1.59 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.58 7.81 27 N 8.95 4.10 0.00 2.86 2.86 0.00 0.00 7.42 8.14 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 28 G 7.62 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 0.00 0.00 0.00 29 P 0.00 4.25 0.00 2.12 1.98 0.00 3.60 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 1.90 1.91 0.00 30 Y 7.96 4.99 0.00 3.23 3.21 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 31 P 0.00 4.22 0.00 1.55 2.05 0.00 4.16 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.09 0.00 32 Y 8.00 4.87 0.00 3.41 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 33 N 8.96 4.49 0.00 2.77 2.94 0.00 0.00 7.06 7.72 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 34 R 8.05 4.21 0.00 1.90 1.96 0.00 3.15 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 1.74 1.68 0.00 35 D 7.72 4.26 0.00 2.90 2.36 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 36 G 7.88 3.43 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 0.00 37 V 7.08 3.94 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 0.76 0.00 0.00 0.94 0.00 0.00 38 V 8.32 3.97 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 0.84 0.00 0.00 0.91 0.00 0.00 39 F 8.74 4.68 0.00 2.93 2.96 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 40 E 8.32 3.89 0.00 1.71 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 2.21 2.15 0.00 41 N 6.46 3.65 0.00 2.66 2.69 0.00 0.00 7.39 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 42 R 7.72 3.81 0.00 1.69 1.89 0.00 3.15 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 43 E 8.06 4.29 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 2.33 2.27 0.00 44 S 7.70 3.96 0.00 3.98 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 45 R 7.50 4.06 0.00 2.00 2.15 0.00 3.33 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 46 L 7.33 4.13 0.00 1.08 0.85 -0.42 -0.53 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 47 P 0.00 4.18 0.00 2.12 2.04 0.00 3.59 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 48 K 8.49 4.12 0.00 1.69 1.69 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.43 7.81 49 K 8.24 4.45 0.00 1.22 0.87 0.00 0.93 0.00 0.00 1.35 0.00 0.00 2.82 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.22 0.21 7.81 50 G 8.14 3.78 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 0.00 0.00 0.00 51 N 8.44 4.41 0.00 2.67 2.75 0.00 0.00 7.13 7.98 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 52 G 8.93 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 Y 7.99 3.98 0.00 3.02 2.56 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 0.00 0.00 0.00 0.00 54 Y 7.74 5.93 0.00 3.40 2.94 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 55 H 8.74 5.52 0.00 3.18 2.99 0.00 5.57 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.72 5.20 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 2.36 2.15 0.00 57 F 9.04 5.11 0.00 2.99 2.94 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 58 T 9.69 4.38 4.43 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 0.90 0.00 0.00 59 V 8.17 4.59 2.35 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 1.16 0.00 0.00 1.22 0.00 0.00 60 V 8.71 3.74 2.39 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 1.03 0.00 0.00 1.12 0.00 0.00 61 T 8.35 4.49 4.27 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 1.23 0.00 0.00 62 P 0.00 4.33 0.00 2.06 2.14 0.00 3.70 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 2.05 2.11 0.00 63 G 8.06 4.02 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 0.00 0.00 0.00 64 S 7.29 4.89 0.00 4.14 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 65 N 8.73 4.45 0.00 2.85 3.00 0.00 0.00 6.09 8.07 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 66 D 7.71 4.73 0.00 2.79 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 67 R 8.40 3.74 0.00 1.66 1.85 0.00 2.86 0.00 0.00 3.00 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.63 0.00 68 G 7.41 3.78 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 0.00 0.00 0.00 69 T 8.01 4.31 4.04 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 1.08 0.00 0.00 70 R 7.67 4.50 0.00 2.05 2.05 0.00 3.19 0.00 0.00 3.58 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.66 0.00 71 R 8.50 5.22 0.00 1.40 1.77 0.00 3.24 0.00 0.00 3.01 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.72 0.00 72 V 9.06 5.10 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 1.32 0.00 0.00 1.21 0.00 0.00 73 V 9.15 5.13 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 1.09 0.00 0.00 0.60 0.00 0.00 74 T 9.34 5.23 4.36 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 1.33 0.00 0.00 75 G 9.06 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 0.00 0.00 0.00 0.00 76 G 6.14 3.14 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 0.00 0.00 0.00 0.00 0.00 0.00 77 Y 8.15 4.36 0.00 3.18 2.98 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 78 G 8.17 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 0.00 0.00 0.00 79 E 8.00 4.15 0.00 2.12 1.66 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 2.59 2.51 0.00 80 Q 8.27 5.05 0.00 1.90 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 81 Y 9.35 5.35 0.00 2.98 2.98 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 82 W 9.66 5.53 0.00 3.35 3.14 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 0.00 0.00 0.00 83 S 8.46 4.32 0.00 3.10 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 84 P 0.00 3.65 0.00 2.03 1.91 0.00 3.23 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 85 D 6.61 4.55 0.00 2.70 2.66 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 86 H 8.46 3.08 0.00 3.02 3.18 0.00 5.81 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 7.39 3.11 0.00 3.14 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 88 A 7.44 4.13 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 89 T 7.75 4.70 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 1.18 0.00 0.00 90 F 8.55 5.24 0.00 2.85 2.94 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 91 Q 9.28 5.05 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.15 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 92 E 9.30 4.64 0.00 2.21 1.87 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 2.17 1.94 0.00 93 I 8.50 4.44 1.94 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.77 0.87 0.00 0.00 94 D 9.16 4.81 0.00 2.79 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.42 0.00 2.20 2.14 0.00 3.79 0.00 0.00 3.80 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 96 R 8.10 4.24 0.00 1.93 2.01 0.00 3.11 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 97 C 7.77 4.49 0.00 3.02 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 * Residues marked with a * may have inaccurate shift predictions.