NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7147 8.2833 119.2053 53.7826 41.1954 176.4745 3 D 4.2143 7.9840 117.7290 56.7349 40.7401 177.2114 4 K 3.9418 8.8611 119.8664 59.6597 32.5078 179.0852 5 K 4.0121 7.9881 117.9909 59.3035 32.0224 179.3985 6 I 3.8019 7.7528 120.4363 63.8961 36.9818 178.0700 7 E 3.9017 8.7647 120.7147 59.1511 29.4835 178.5592 8 L 4.0060 8.1152 120.4974 58.3310 42.2153 178.9509 9 L 4.0935 8.1414 118.9376 58.0119 41.3662 179.7756 10 T 3.9490 8.0269 115.7142 67.0761 68.2462 177.0597 11 T 3.9705 7.9081 116.2904 66.6353 68.7832 175.9628 12 Y 4.2363 8.5208 121.8988 60.8925 38.7903 178.2778 13 L 4.3809 8.4409 119.8484 57.3449 41.5261 178.9568 14 S 4.4594 7.6760 112.7708 60.0555 63.2951 175.8471 15 L 4.0785 7.8309 123.3323 56.9488 41.3183 176.4499 16 Y 5.4427 7.2900 115.5134 56.4736 40.2064 175.0549 17 I 4.4722 8.0470 119.0046 59.2998 41.3140 173.5120 18 D 4.7223 8.8259 128.8950 55.0629 41.8790 176.8521 19 H 4.5582 8.7522 120.3479 58.5530 29.0254 177.4633 20 H 4.3603 9.1071 120.0984 58.8630 28.1992 177.7422 21 T 4.0488 7.4447 116.8113 66.4422 68.4431 176.8720 22 V 3.8503 7.7197 118.8252 65.7359 31.9275 177.5176 23 L 4.3229 8.3234 119.9146 58.2181 41.9286 178.5574 24 A 4.2815 7.8154 117.8916 53.7319 18.3410 176.9913 25 D 4.7497 7.7999 116.9646 54.0944 41.4788 177.8456 *27 Q 4.2867 8.0338 116.2470 55.2151 30.2848 175.2165 28 N 4.6988 8.2973 113.6285 51.9973 38.9906 173.9721 29 A 3.9312 8.1112 118.9625 53.2087 16.3611 178.9604 30 T 3.8435 7.7829 118.0383 66.4031 69.1183 175.2936 31 G 3.9949 7.8183 109.3298 46.6206 0.0000 173.0835 32 K 4.2781 8.3888 113.2076 56.4342 33.8989 176.1378 33 Y 5.0708 7.6448 117.0518 56.4664 41.3148 175.0137 34 V 4.2056 9.0047 125.0295 61.0225 33.2070 174.7898 35 V 4.3085 8.3303 129.0839 62.8091 33.1100 174.4822 36 L 5.0488 9.3140 127.5900 53.0121 44.8348 175.2460 37 D 3.3700 8.8021 125.2905 52.5946 40.9690 175.6457 38 V 4.1421 7.2280 119.8910 61.2945 32.6967 176.5894 39 R 4.1519 7.6591 119.6312 56.1099 30.4985 176.8610 40 N 4.5383 8.6458 117.7189 54.3152 39.3693 175.8537 41 A 4.1824 7.9996 121.4249 51.1441 19.2177 175.3380 42 P 4.4461 0.0000 0.0000 62.3473 32.0380 177.2652 43 A 4.0193 8.5985 120.4711 55.2854 17.9516 179.8124 44 Q 3.9837 8.1183 114.6705 58.7673 28.5647 178.3665 45 V 4.0497 7.5742 119.7029 64.0401 33.5626 176.8462 46 K 4.5964 7.3635 119.7286 55.5670 31.2889 178.3061 47 K 4.5303 7.7105 114.8999 56.6259 32.4137 177.1722 48 D 4.6548 8.6665 116.5937 54.1405 42.2992 174.3265 49 Q 4.6473 8.3672 118.0035 54.9760 32.5006 173.4143 50 I 3.6431 7.9503 121.2617 61.0269 37.5347 176.3549 51 K 3.8575 8.6492 127.8834 57.5667 32.3983 176.8367 52 G 3.9454 8.8048 114.8741 46.8586 0.0000 172.5522 53 A 4.8490 7.4124 117.7406 50.1436 23.0299 176.9213 54 I 4.2295 8.2497 121.1503 60.3549 38.6177 175.7615 55 A 4.4723 8.4100 128.4678 50.8466 19.9454 174.9034 *57 P 4.0978 0.0000 0.0000 62.0358 32.5151 178.1619 58 A 3.9182 8.1653 126.2114 54.2952 18.3799 178.3420 59 K 4.2752 7.8413 113.0189 57.6509 33.5882 176.9016 60 D 4.8461 8.0702 118.7324 53.7486 42.2599 177.2186 61 L 3.7580 8.0598 122.3369 58.0585 42.0523 178.1619 62 A 4.1405 7.8954 121.0093 55.2301 18.7072 179.5634 63 T 3.8887 7.9383 111.7074 66.1158 68.8339 175.4083 64 R 4.5663 7.8337 118.7449 55.8336 30.8158 177.7367 65 I 3.5955 7.5159 122.5591 64.6911 37.1266 178.3806 66 G 3.7851 7.9718 106.7357 47.5255 0.0000 173.6676 67 E 4.3001 8.2870 118.7410 56.5890 29.8614 176.1146 68 L 4.5637 7.3937 119.1441 52.8333 43.6759 175.4110 69 D 4.8691 9.9482 124.1194 52.3443 41.5635 175.2648 70 P 4.6353 0.0000 0.0000 63.8251 31.0531 176.3927 71 A 4.5120 8.0143 122.7654 53.5555 20.4662 178.3604 72 K 4.1070 7.8297 113.4287 56.5881 33.0615 176.0957 73 T 4.6598 8.0173 117.1505 62.4281 70.5880 173.2814 74 Y 5.0674 8.8090 124.8739 56.6575 40.4419 175.0280 75 V 4.8606 8.8593 123.3638 61.4231 34.1644 174.7313 76 V 4.8395 8.7314 122.4206 60.4947 33.8578 175.0271 77 Y 5.0777 8.1851 120.3483 55.7787 41.9877 173.9413 78 D 4.9357 8.3735 120.3673 52.9222 44.6916 175.1602 79 W 4.3110 9.2393 115.7656 59.5624 29.7676 176.7670 80 T 5.0493 8.3287 111.9230 59.8566 70.1075 174.5546 81 G 4.0482 8.8280 110.5061 46.5944 0.0000 174.4549 82 G 3.9217 7.5639 107.9506 46.6231 0.0000 174.7959 83 T 4.1390 7.4041 108.2839 62.1893 69.3432 173.9453 84 T 4.5862 8.2432 109.4979 61.1634 69.7003 175.6618 85 L 4.0978 8.7091 126.4995 58.1869 41.9490 179.0553 86 G 3.5810 8.2916 105.4224 47.9027 0.0000 175.7296 87 K 3.9884 7.9471 120.7243 59.0021 31.6076 179.4815 88 T 3.8234 7.8897 116.0609 66.4964 68.3726 176.4678 89 A 3.8934 7.9220 122.5439 55.1573 18.4177 179.1810 90 L 3.8869 7.7432 118.8800 58.2976 41.9207 179.1644 91 L 3.8578 7.7678 119.7800 58.0951 42.2650 179.0171 92 V 3.5773 7.3235 117.0421 65.9412 31.4481 177.8649 93 L 4.0167 8.2478 118.9228 58.0059 41.5082 179.5657 94 L 4.1851 8.2669 119.1795 58.0663 41.3143 179.9016 95 S 4.2177 8.1364 113.9098 60.9047 62.7846 175.5021 96 A 4.4651 7.7671 121.0238 51.7967 18.6131 178.0929 97 G 3.7383 7.8438 106.1344 45.4814 0.0000 174.1777 98 F 4.5341 7.7240 117.9128 56.8605 40.4593 174.8627 99 E 4.4966 8.9305 122.1628 55.0613 30.6406 174.6080 100 A 5.7582 8.0180 127.2885 49.6385 22.8173 174.2196 101 Y 4.8725 8.1654 114.9702 56.5031 43.1511 173.5482 102 E 4.8345 9.1031 123.6964 54.2442 31.8732 174.7749 103 L 4.3495 9.2784 129.6951 55.2058 43.2164 176.1169 104 A 4.4575 8.5703 130.7183 53.5246 18.8948 177.2220 105 G 3.9036 9.1890 111.6007 43.9380 0.0000 174.4546 106 A 4.0391 7.9574 122.1414 51.7390 18.6190 177.0028 107 L 3.8702 8.5052 116.6676 58.4692 41.9107 178.9319 108 E 4.1251 8.7299 119.7602 59.7133 29.3454 179.2454 109 G 3.7394 8.1585 103.3635 46.8667 0.0000 175.0848 110 W 4.1715 8.0840 130.4061 59.8438 30.4650 178.1227 111 K 4.3237 8.5371 118.3933 58.2613 32.3095 179.0301 112 G 3.8031 7.8962 109.6260 45.4459 0.0000 174.0239 *114 Q 4.1495 7.9594 113.8773 55.0798 30.5083 176.0402 115 L 4.0641 6.9429 116.9283 53.2787 42.6967 175.1533 116 P 4.3910 0.0000 0.0000 63.7421 32.1402 175.8455 117 V 5.1367 8.5977 124.7769 59.3209 32.8822 174.4822 118 E 4.4789 8.7651 126.3443 56.4456 31.6288 175.6132 119 T 4.8546 8.2748 109.8322 59.5797 70.8595 173.8641 120 L 4.4633 8.3619 125.5032 54.8251 42.2721 176.4051 121 A 4.1799 8.1109 121.1023 52.6892 19.1353 176.1863 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 N 8.28 4.71 0.00 2.77 2.87 0.00 0.00 7.09 7.61 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 3 D 7.98 4.21 0.00 2.81 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 4 K 8.86 3.94 0.00 1.80 1.87 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.55 7.81 5 K 7.99 4.01 0.00 1.93 1.85 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.52 7.81 6 I 7.75 3.80 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.71 0.93 0.00 0.00 7 E 8.76 3.90 0.00 2.13 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 2.33 2.39 0.00 8 L 8.12 4.01 0.00 1.81 1.66 0.99 0.81 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 9 L 8.14 4.09 0.00 1.82 1.75 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 10 T 8.03 3.95 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 1.26 0.00 0.00 11 T 7.91 3.97 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 12 Y 8.52 4.24 0.00 3.25 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 13 L 8.44 4.38 0.00 1.92 1.81 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.68 4.46 0.00 4.07 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 0.00 15 L 7.83 4.08 0.00 1.12 1.19 0.56 0.91 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 16 Y 7.29 5.44 0.00 2.78 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 17 I 8.05 4.47 1.53 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.00 0.91 0.00 0.00 18 D 8.83 4.72 0.00 2.73 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 8.75 4.56 0.00 3.63 3.70 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 H 9.11 4.36 0.00 3.25 3.36 0.00 5.63 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.44 4.05 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 1.32 0.00 0.00 22 V 7.72 3.85 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 0.83 0.00 0.00 0.82 0.00 0.00 23 L 8.32 4.32 0.00 1.96 1.68 0.68 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.82 4.28 1.43 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 25 D 7.80 4.75 0.00 2.94 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 *27 Q 8.03 4.29 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.92 6.85 0.00 0.00 0.00 0.00 0.00 2.25 2.62 0.00 28 N 8.30 4.70 0.00 2.88 2.87 0.00 0.00 7.06 7.35 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 29 A 8.11 3.93 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 30 T 7.78 3.84 4.40 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 1.15 0.00 0.00 31 G 7.82 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 0.00 0.00 0.00 32 K 8.39 4.28 0.00 1.57 1.66 0.00 1.19 0.00 0.00 0.85 0.00 0.00 2.30 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.89 0.21 7.81 33 Y 7.64 5.07 0.00 2.87 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 34 V 9.00 4.21 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 1.17 0.00 0.00 0.77 0.00 0.00 35 V 8.33 4.31 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 0.93 0.00 0.00 0.86 0.00 0.00 36 L 9.31 5.05 0.00 1.47 1.37 0.59 0.78 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 37 D 8.80 3.37 0.00 2.42 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 38 V 7.23 4.14 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 0.62 0.00 0.00 0.83 0.00 0.00 39 R 7.66 4.15 0.00 1.60 1.68 0.00 2.57 0.00 0.00 3.12 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.20 0.00 40 N 8.65 4.54 0.00 2.75 2.88 0.00 0.00 6.94 7.35 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 41 A 8.00 4.18 1.56 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 0.00 0.00 42 P 0.00 4.45 0.00 2.25 2.23 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.00 0.00 43 A 8.60 4.02 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 44 Q 8.12 3.98 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 45 V 7.57 4.05 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 1.10 0.00 0.00 0.99 0.00 0.00 46 K 7.36 4.60 0.00 1.64 1.76 0.00 1.15 0.00 0.00 1.47 0.00 0.00 2.98 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.65 1.31 7.81 47 K 7.71 4.53 0.00 1.91 1.98 0.00 1.84 0.00 0.00 1.99 0.00 0.00 3.15 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.41 7.81 48 D 8.67 4.65 0.00 2.71 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 49 Q 8.37 4.65 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.01 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 50 I 7.95 3.64 1.35 0.00 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.28 0.00 0.00 51 K 8.65 3.86 0.00 2.01 1.82 0.00 1.99 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.58 7.81 52 G 8.80 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.41 4.85 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 54 I 8.25 4.23 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.05 0.88 0.00 0.00 55 A 8.41 4.47 1.15 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 0.00 0.00 *57 P 0.00 4.10 0.00 2.28 1.97 0.00 3.52 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 58 A 8.17 3.92 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 59 K 7.84 4.28 0.00 1.85 2.07 0.00 1.51 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.42 7.81 60 D 8.07 4.85 0.00 2.61 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 61 L 8.06 3.76 0.00 1.59 1.60 0.66 0.90 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 62 A 7.90 4.14 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 63 T 7.94 3.89 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 1.19 0.00 0.00 64 R 7.83 4.57 0.00 1.79 1.98 0.00 3.11 0.00 0.00 3.10 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 65 I 7.52 3.60 2.08 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.22 0.96 0.00 0.00 66 G 7.97 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 0.00 0.00 0.00 67 E 8.29 4.30 0.00 2.00 1.96 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 2.30 2.25 0.00 68 L 7.39 4.56 0.00 1.22 0.96 0.03 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 69 D 9.95 4.87 0.00 2.71 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 70 P 0.00 4.64 0.00 2.07 1.77 0.00 3.93 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 71 A 8.01 4.51 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 72 K 7.83 4.11 0.00 1.33 1.24 0.00 1.59 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.40 7.81 73 T 8.02 4.66 4.64 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 1.64 0.00 0.00 74 Y 8.81 5.07 0.00 2.90 2.81 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 0.00 0.00 0.00 75 V 8.86 4.86 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 0.96 0.00 0.00 0.84 0.00 0.00 76 V 8.73 4.84 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 0.63 0.00 0.00 0.94 0.00 0.00 77 Y 8.19 5.08 0.00 2.97 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 78 D 8.37 4.94 0.00 2.76 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 79 W 9.24 4.31 0.00 3.36 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 80 T 8.33 5.05 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 1.36 0.00 0.00 81 G 8.83 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.56 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 83 T 7.40 4.14 4.54 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 0.00 0.00 0.00 1.34 0.00 0.00 84 T 8.24 4.59 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 1.26 0.00 0.00 85 L 8.71 4.10 0.00 2.07 1.67 0.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.29 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.95 3.99 0.00 1.80 1.83 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.35 1.43 7.81 88 T 7.89 3.82 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 1.18 0.00 0.00 89 A 7.92 3.89 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 90 L 7.74 3.89 0.00 1.88 1.74 0.83 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 91 L 7.77 3.86 0.00 1.91 1.83 0.91 0.72 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 92 V 7.32 3.58 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 0.95 0.00 0.00 0.89 0.00 0.00 93 L 8.25 4.02 0.00 1.69 1.69 0.70 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.27 4.19 0.00 1.67 1.69 0.85 0.60 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 95 S 8.14 4.22 0.00 3.86 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 96 A 7.77 4.47 1.60 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 0.00 0.00 97 G 7.84 3.74 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 0.00 0.00 0.00 98 F 7.72 4.53 0.00 3.18 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 99 E 8.93 4.50 0.00 2.07 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 2.30 2.20 0.00 100 A 8.02 5.76 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 0.00 101 Y 8.17 4.87 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 0.00 102 E 9.10 4.83 0.00 1.71 1.43 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 2.41 2.13 0.00 103 L 9.28 4.35 0.00 1.79 1.64 1.01 1.00 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 0.00 104 A 8.57 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 0.00 105 G 9.19 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 0.00 0.00 0.00 106 A 7.96 4.04 1.60 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 0.00 0.00 107 L 8.51 3.87 0.00 2.02 1.98 0.75 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 108 E 8.73 4.13 0.00 2.35 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 2.39 2.44 0.00 109 G 8.16 3.74 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 0.00 0.00 0.00 110 W 8.08 4.17 0.00 3.49 3.10 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 0.00 111 K 8.54 4.32 0.00 1.82 1.91 0.00 1.84 0.00 0.00 1.82 0.00 0.00 3.11 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.58 1.78 7.81 112 G 7.90 3.80 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 0.00 0.00 0.00 *114 Q 7.96 4.15 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.99 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 115 L 6.94 4.06 0.00 0.59 0.16 0.51 -0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 116 P 0.00 4.39 0.00 2.25 2.29 0.00 3.36 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 2.48 2.10 0.00 117 V 8.60 5.14 2.29 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 1.07 0.00 0.00 0.99 0.00 0.00 118 E 8.77 4.48 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.32 0.00 119 T 8.27 4.85 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 1.23 0.00 0.00 120 L 8.36 4.46 0.00 1.77 1.70 0.91 0.50 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 0.00 121 A 8.11 4.18 1.21 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 * Residues marked with a * may have inaccurate shift predictions.