NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 M 4.4883 8.2893 118.7933 53.4951 33.4749 175.9369 4 P 4.1266 0.0000 0.0000 62.3166 31.1713 174.5285 5 K 3.6203 9.1307 121.0743 56.4413 33.5330 179.4412 6 L 3.6503 5.8563 120.7926 57.2258 41.8109 176.8304 7 A 4.4640 6.5443 115.5495 51.3511 22.3334 175.3940 8 D 4.8748 8.4816 117.8488 54.5334 42.7201 176.6802 9 R 5.3162 7.8675 116.2550 54.5318 35.1980 173.9542 10 K 5.1134 9.2471 119.2420 55.7317 36.8154 174.6270 11 L 5.2883 9.0362 121.3338 53.5246 44.2337 175.2135 12 C 5.4657 9.0835 119.4686 55.1350 44.7419 174.8226 13 A 4.0036 8.9869 121.3436 53.7290 18.6784 176.8170 14 D 4.7641 7.5767 113.6823 51.9863 42.2926 176.1618 15 Q 3.9555 8.8322 120.9283 59.4006 28.6528 178.3616 16 E 4.3033 8.2334 110.7858 55.2041 30.3119 179.6892 17 C 4.3558 7.8824 114.5462 59.0815 38.2755 174.3158 18 S 4.2591 8.7011 114.5315 59.3728 63.7387 173.8508 19 H 4.9958 8.4858 118.8385 53.1747 30.0134 173.1799 20 P 3.4728 0.0000 0.0000 62.5768 32.1447 176.5195 21 I 4.0966 8.6269 123.0847 64.2245 38.0620 175.9383 22 S 4.8570 7.5618 113.9375 57.5092 66.5480 172.3419 23 M 4.4325 8.5812 120.3773 53.6989 34.0630 174.5355 24 A 5.1372 8.8875 126.6230 50.2869 23.6922 174.4669 25 V 4.7755 8.4963 118.8936 60.7744 34.2917 174.9384 26 A 4.5513 8.9937 130.3424 52.2378 18.9379 177.6893 27 L 4.6647 9.4835 121.9909 54.7712 43.4724 176.4735 28 Q 4.6860 7.7829 115.9495 54.0186 32.9953 174.4927 29 D 4.8683 8.6780 120.5262 54.8454 42.3880 175.5648 30 Y 4.6443 8.9076 121.2852 57.0122 42.6304 172.8823 31 M 4.5930 8.0867 126.5447 53.4083 33.9907 175.4442 32 A 4.0891 8.3146 129.2858 52.0436 18.9483 176.1720 33 P 4.3534 0.0000 0.0000 64.7715 32.0179 175.4205 34 D 4.7590 7.9442 116.3108 52.1211 41.9308 174.6140 35 C 4.4837 8.7662 113.1944 58.0291 42.1915 175.2671 36 R 3.7461 8.5772 120.1021 58.4175 29.8074 176.4062 37 F 5.6289 7.9511 115.6320 56.4251 40.8657 175.3777 38 L 4.8556 9.3193 121.2672 53.8445 43.2743 176.4168 39 T 4.7186 8.5596 119.9133 62.8873 69.5953 174.3227 40 I 4.9294 8.8907 126.3202 59.9229 42.0729 174.0611 41 H 5.4314 9.1640 121.3116 53.4992 32.7540 173.5711 42 R 4.1198 8.6600 119.7416 58.4814 30.3473 177.5435 43 G 4.0218 9.0876 111.0817 45.3569 0.0000 173.9717 44 Q 4.2336 7.7172 118.4219 55.9984 30.2764 175.2645 45 V 4.6521 8.2908 121.4485 61.5038 33.7419 174.5475 46 V 4.9166 8.7242 127.6302 61.3461 34.7063 173.4941 47 Y 4.7518 9.1608 125.5169 56.5187 39.9930 174.7052 48 V 4.7270 8.7465 125.6078 62.2440 32.3733 176.0761 49 F 4.8730 9.6634 126.8263 57.8852 41.1330 175.9072 50 S 4.8999 7.9762 111.6764 56.7555 66.9258 173.4162 51 K 4.8347 8.8874 120.4619 54.3701 34.9247 176.0010 52 L 4.5337 9.0763 125.9673 54.9772 43.2558 177.0236 53 K 4.6854 9.0218 121.4518 53.7340 35.7347 179.6149 54 G 3.8696 8.8013 111.2784 47.0480 0.0000 177.9330 55 R 4.0646 9.0075 124.2913 57.7541 30.0294 176.9912 56 G 4.2339 8.2144 105.8623 44.2865 0.0000 175.4852 57 R 4.9553 7.7965 116.2952 57.7115 29.6819 177.8631 58 L 4.0184 8.1077 118.7466 56.6610 42.8343 176.4836 59 F 5.1213 8.7648 118.3267 55.3548 41.8137 174.9392 60 W 5.4174 8.6348 121.8915 54.9179 32.9275 174.6820 61 G 4.2259 8.8456 109.0117 44.8378 0.0000 173.2772 62 G 4.4437 8.4697 107.6414 46.6374 0.0000 172.1800 63 S 5.1683 8.7294 114.9718 56.9470 68.0700 173.4097 64 V 4.5957 8.2409 121.8331 61.5692 33.0351 175.0403 65 Q 4.4406 9.1420 130.0842 56.5321 29.6535 176.9296 66 G 4.2447 8.2341 113.2159 45.5512 0.0000 172.5124 67 D 4.6627 9.0055 120.6739 56.4216 41.9709 177.0501 *68 Y 4.5789 7.4634 116.7037 54.6620 38.6483 177.7668 69 Y 4.2235 8.5134 122.8071 59.5903 39.0402 176.9619 70 G 3.6447 8.1711 115.4045 44.8088 0.0000 172.3886 71 D 4.6281 7.8368 120.7299 53.4100 42.6014 174.8050 72 L 4.9926 8.2393 126.6385 52.7363 44.7635 175.7526 73 A 4.1559 8.7590 128.0832 52.3193 18.4448 177.6547 74 A 3.9780 8.6448 123.4137 54.7135 18.9350 178.8272 75 R 3.9947 7.8500 115.7946 56.4346 30.7287 175.2361 76 L 4.9023 8.2210 124.5834 53.3968 43.8261 175.6958 77 G 4.1091 8.8457 108.7161 45.7365 0.0000 171.3333 78 Y 5.4865 8.6725 117.8368 57.0871 40.3663 175.0634 79 F 5.2004 8.7081 115.1452 55.2191 42.1089 171.8315 80 P 3.8629 0.0000 0.0000 61.9021 31.8339 178.0154 81 S 3.2165 8.1127 118.6413 60.9506 62.6542 176.9087 82 S 3.9905 7.4322 116.0536 60.8189 62.7409 175.0267 83 I 3.9399 7.6625 112.9605 61.7898 37.7865 175.7694 84 V 4.6912 7.3487 113.8721 59.4939 34.7021 174.5991 85 R 4.5910 8.5409 122.4199 54.4878 31.8697 175.0143 86 E 4.4308 9.0342 126.8986 56.8608 29.4523 176.4414 87 D 4.9070 9.1815 124.1159 54.5263 43.6767 176.5647 88 Q 4.4406 7.6713 119.5377 54.8062 32.6656 173.4348 89 T 4.4989 8.5604 123.5888 63.1520 68.7212 174.3986 90 L 4.3755 8.9169 127.7905 56.5628 42.6815 177.8425 91 K 4.5877 7.6472 115.2340 53.6458 36.1700 174.0660 92 P 4.2144 0.0000 0.0000 63.4369 31.8250 176.6467 93 G 4.0574 8.2723 112.3236 44.1594 0.0000 173.2691 94 K 4.3146 7.5975 117.2722 56.3046 34.2178 176.8277 95 V 3.7148 7.8827 120.9124 62.6823 32.2676 174.7559 96 D 5.0356 8.7295 129.5253 53.4341 41.3198 175.1759 97 V 4.4857 8.3999 126.5706 60.5310 34.2771 174.7920 98 K 4.6798 8.6280 128.8515 56.4454 33.1428 176.4285 99 T 4.3643 8.8416 117.8354 61.9200 70.2265 174.0957 100 D 5.0087 9.0518 127.2793 52.3497 42.0904 176.6060 *101 K 4.1525 8.6379 119.2912 57.6978 32.1745 173.9778 102 W 4.2200 8.4513 128.9355 60.1727 31.0801 177.3157 103 D 4.3068 7.9504 117.5850 57.0596 40.1774 177.8414 104 F 4.7460 7.8866 115.7699 57.9159 39.3388 176.0032 *105 Y 4.3697 7.4122 121.1342 55.1738 35.8946 179.0091 106 C 4.0801 8.2741 122.4908 56.3104 41.0879 174.6651 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 *3 M 8.29 4.49 0.00 1.75 1.89 0.00 0.00 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 4 P 0.00 4.13 0.00 2.14 2.05 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.00 0.00 5 K 9.13 3.62 0.00 1.73 1.71 0.00 2.00 0.00 0.00 1.99 0.00 0.00 2.97 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.70 1.51 7.81 6 L 5.86 3.65 0.00 1.21 1.27 0.29 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 7 A 6.54 4.46 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 8 D 8.48 4.87 0.00 2.63 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 9 R 7.87 5.32 0.00 1.73 1.78 0.00 3.12 0.00 0.00 3.41 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 10 K 9.25 5.11 0.00 1.83 1.94 0.00 1.34 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.46 7.81 11 L 9.04 5.29 0.00 1.52 1.75 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 12 C 9.08 5.47 0.00 2.91 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 13 A 8.99 4.00 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 14 D 7.58 4.76 0.00 2.81 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 15 Q 8.83 3.96 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 16 E 8.23 4.30 0.00 1.98 1.84 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 2.18 1.89 0.00 17 C 7.88 4.36 0.00 3.14 3.27 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 18 S 8.70 4.26 0.00 3.92 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 19 H 8.49 5.00 0.00 3.13 3.21 0.00 5.66 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 3.47 0.00 1.95 1.14 0.00 3.76 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 1.90 1.88 0.00 21 I 8.63 4.10 1.75 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.47 0.80 0.00 0.00 22 S 7.56 4.86 0.00 3.86 3.77 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 23 M 8.58 4.43 0.00 1.83 1.32 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.88 0.00 24 A 8.89 5.14 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 25 V 8.50 4.78 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 1.03 0.00 0.00 0.99 0.00 0.00 26 A 8.99 4.55 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 27 L 9.48 4.66 0.00 1.41 1.68 0.90 0.82 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 28 Q 7.78 4.69 0.00 1.87 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.06 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 29 D 8.68 4.87 0.00 2.59 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 30 Y 8.91 4.64 0.00 3.03 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 31 M 8.09 4.59 0.00 1.89 1.82 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 2.46 2.44 0.00 32 A 8.31 4.09 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 33 P 0.00 4.35 0.00 1.98 2.01 0.00 3.44 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.82 0.00 34 D 7.94 4.76 0.00 2.94 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 C 8.77 4.48 0.00 3.10 3.29 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 36 R 8.58 3.75 0.00 1.14 1.62 0.00 2.89 0.00 0.00 3.09 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.60 0.00 37 F 7.95 5.63 0.00 3.18 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 38 L 9.32 4.86 0.00 1.81 1.75 1.08 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.56 4.72 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 1.19 0.00 0.00 40 I 8.89 4.93 1.92 0.00 0.00 0.46 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 0.85 0.85 0.00 0.00 41 H 9.16 5.43 0.00 3.07 3.16 0.00 5.65 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.66 4.12 0.00 1.83 1.91 0.00 3.19 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 43 G 9.09 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 44 Q 7.72 4.23 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 45 V 8.29 4.65 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 1.01 0.00 0.00 0.94 0.00 0.00 46 V 8.72 4.92 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 0.93 0.00 0.00 0.68 0.00 0.00 47 Y 9.16 4.75 0.00 3.14 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 48 V 8.75 4.73 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 0.74 0.00 0.00 1.26 0.00 0.00 49 F 9.66 4.87 0.00 2.89 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 50 S 7.98 4.90 0.00 3.94 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 51 K 8.89 4.83 0.00 1.49 1.57 0.00 1.19 0.00 0.00 0.85 0.00 0.00 2.13 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.30 0.77 7.81 52 L 9.08 4.53 0.00 2.09 1.70 0.83 0.78 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 53 K 9.02 4.69 0.00 1.85 1.76 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.42 7.81 54 G 8.80 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 55 R 9.01 4.06 0.00 1.80 1.99 0.00 3.18 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 56 G 8.21 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 57 R 7.80 4.96 0.00 2.06 2.24 0.00 3.12 0.00 0.00 3.23 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.60 0.00 58 L 8.11 4.02 0.00 1.50 1.31 0.89 0.96 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 59 F 8.76 5.12 0.00 3.17 3.07 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 60 W 8.63 5.42 0.00 2.52 2.87 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 61 G 8.85 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 62 G 8.47 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.73 5.17 0.00 3.89 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 64 V 8.24 4.60 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 0.94 0.00 0.00 65 Q 9.14 4.44 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.60 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 66 G 8.23 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 67 D 9.01 4.66 0.00 2.69 2.75 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 *68 Y 7.46 4.58 0.00 2.23 2.15 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 69 Y 8.51 4.22 0.00 2.95 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 70 G 8.17 3.64 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 0.00 0.00 0.00 71 D 7.84 4.63 0.00 2.82 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 72 L 8.24 4.99 0.00 1.45 1.40 1.03 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 73 A 8.76 4.16 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 74 A 8.64 3.98 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 75 R 7.85 3.99 0.00 1.78 1.85 0.00 3.21 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 76 L 8.22 4.90 0.00 1.46 1.38 0.80 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.85 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 0.00 0.00 0.00 0.00 78 Y 8.67 5.49 0.00 2.92 3.13 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 79 F 8.71 5.20 0.00 2.92 3.23 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 80 P 0.00 3.86 0.00 1.79 1.35 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.40 0.00 81 S 8.11 3.22 0.00 2.72 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 82 S 7.43 3.99 0.00 3.66 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 83 I 7.66 3.94 1.86 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 1.58 0.80 0.84 0.00 0.00 84 V 7.35 4.69 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 0.64 0.00 0.00 1.15 0.00 0.00 85 R 8.54 4.59 0.00 1.85 1.78 0.00 3.10 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 86 E 9.03 4.43 0.00 2.00 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 2.48 2.76 0.00 87 D 9.18 4.91 0.00 2.45 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 88 Q 7.67 4.44 0.00 2.08 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.02 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 89 T 8.56 4.50 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 1.16 0.00 0.00 90 L 8.92 4.38 0.00 1.68 1.68 0.95 0.75 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 91 K 7.65 4.59 0.00 1.63 1.60 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.75 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.29 1.37 7.81 92 P 0.00 4.21 0.00 2.18 2.16 0.00 3.64 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 2.05 1.95 0.00 93 G 8.27 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 94 K 7.60 4.31 0.00 1.71 1.82 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.36 7.81 95 V 7.88 3.71 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 0.98 0.00 0.00 0.97 0.00 0.00 96 D 8.73 5.04 0.00 2.73 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 97 V 8.40 4.49 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 0.98 0.00 0.00 0.94 0.00 0.00 98 K 8.63 4.68 0.00 1.83 1.71 0.00 1.85 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.57 1.46 7.81 99 T 8.84 4.36 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 1.39 0.00 0.00 100 D 9.05 5.01 0.00 2.78 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 *101 K 8.64 4.15 0.00 1.80 1.77 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 0.99 7.81 102 W 8.45 4.22 0.00 3.40 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 0.00 103 D 7.95 4.31 0.00 2.30 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 0.00 0.00 0.00 104 F 7.89 4.75 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 *105 Y 7.41 4.37 0.00 2.33 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 0.00 0.00 0.00 106 C 8.27 4.08 0.00 2.87 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 * Residues marked with a * may have inaccurate shift predictions.