NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1359 8.2644 123.5813 51.4484 20.3328 177.8332 2 K 3.5502 8.8346 115.2358 58.4319 29.7405 175.4379 3 Q 4.0706 8.0929 118.5876 57.8906 30.8268 179.0974 4 S 4.2616 7.9627 113.3343 60.3228 62.8421 174.5810 5 M 4.4492 8.6201 118.3863 55.2508 32.1041 175.9642 6 K 4.1619 7.8700 118.4424 58.3187 32.8047 176.8740 7 A 4.3694 7.4620 118.6189 51.9498 18.8300 178.1119 8 R 3.7799 7.1914 114.9537 59.1076 30.5946 177.3383 9 E 3.5050 8.3750 120.2728 59.2929 30.3281 179.7403 10 V 3.7657 7.3916 116.6369 65.5875 30.9515 178.0246 11 K 4.1146 9.1574 119.6987 58.8806 31.5812 178.0578 12 R 4.4355 7.3475 115.4155 56.2811 30.6686 176.7569 13 V 4.1214 7.3236 117.4235 64.6729 33.2387 177.5346 14 A 4.0919 7.8083 122.0963 55.0398 18.8142 179.1093 15 L 3.9556 7.9077 113.7265 58.4503 41.1839 179.2059 16 A 3.9534 7.5853 116.9528 56.5739 19.5675 179.1219 17 D 4.4363 8.6374 113.1985 55.9884 40.0119 179.0813 18 K 4.0686 7.7521 116.4500 57.6169 31.6634 175.6850 19 Y 4.1708 7.6203 117.1482 59.0110 40.9372 176.5320 20 F 4.3277 8.2924 126.8494 57.6636 37.3444 174.2758 21 A 4.6197 8.1721 125.4598 52.7655 21.4722 177.0758 22 K 4.4012 7.8196 112.9338 57.9064 33.6691 178.9087 23 R 4.0658 7.8093 115.9349 57.7798 30.1402 177.9611 24 A 4.5268 7.9741 120.1401 54.0899 19.1266 177.8120 25 E 4.5155 7.9823 114.4094 55.9617 29.7144 177.5153 26 L 4.1728 7.5495 122.8240 57.9065 41.7503 178.2131 27 K 3.9693 7.7125 116.0710 58.8844 32.3811 177.2908 28 A 4.2747 8.4348 122.3649 55.7348 18.8114 179.4074 29 I 3.4638 7.6587 113.0804 64.9544 37.2140 176.3570 30 I 4.1055 6.7542 132.9226 62.2561 36.3916 176.6966 31 S 5.4874 7.4722 128.8063 59.8762 63.2392 181.1696 32 D 4.9206 7.6481 130.1129 54.8015 40.4822 178.0146 33 V 4.4877 8.3685 120.4650 62.3588 33.0137 175.4402 34 N 4.8627 8.1929 114.4975 52.9688 38.9966 173.9904 35 A 4.5621 7.7331 121.2821 53.4971 26.3000 178.1455 *40 R 4.2082 7.6476 112.1308 55.6780 31.5719 175.7773 41 W 4.4222 7.8495 128.3357 57.7260 31.8346 176.0896 42 N 4.3490 6.8629 120.3610 55.2067 38.3201 177.3688 43 A 4.1734 7.4023 122.3340 55.1706 18.4751 179.4044 44 V 3.7684 7.8642 115.7508 65.4435 31.8401 177.6336 45 L 4.1968 7.4719 115.7386 56.4946 41.4454 177.8203 46 K 4.4231 7.6326 116.7701 57.2377 34.5459 176.2856 47 L 4.5035 8.0124 119.7244 55.6977 42.2188 176.5977 48 Q 4.5224 8.1768 112.4209 55.4335 28.9105 175.2212 49 T 4.4776 7.2417 109.1502 60.7078 69.0278 171.8269 50 L 4.3431 7.8462 128.9149 56.0184 44.7032 174.4910 51 P 3.9746 0.0000 0.0000 64.2460 31.8578 176.0508 52 R 3.8389 7.7741 117.9489 57.4627 29.5368 176.3610 53 D 4.5010 8.3726 118.3228 55.8181 41.8535 176.3090 54 S 4.6011 7.7072 110.1148 58.0433 63.8969 173.2258 55 S 3.5230 7.9352 114.6180 58.2336 62.4340 173.0900 56 P 4.4518 0.0000 0.0000 64.3759 31.5372 177.3020 57 S 4.2825 7.7059 113.9027 60.0503 63.6162 174.3922 58 R 4.3494 7.1657 120.1409 55.6194 29.0493 176.7782 59 Q 4.4804 7.4814 115.1361 54.4030 32.7803 175.8309 60 R 4.2205 8.5971 120.9518 55.5211 30.0070 175.1296 61 N 4.0956 7.5338 115.8588 50.0692 37.8744 170.3823 62 R 3.5755 6.7811 124.5803 55.5338 30.6908 175.6662 63 C 3.8208 8.0768 121.0727 59.2054 32.4822 174.6182 64 R 4.1158 8.0756 125.7701 57.9615 29.9271 176.7793 65 Q 4.6406 8.0625 115.6397 55.9219 30.0361 175.2987 66 T 4.5621 7.5411 102.9337 61.0078 71.0811 174.1798 67 G 3.7188 7.8584 109.0853 46.5775 0.0000 174.1078 68 R 4.4104 7.7851 121.3922 53.2586 30.0661 175.4924 69 P 4.3845 0.0000 0.0000 63.4449 31.8782 176.9360 70 H 4.0336 9.1701 117.6918 56.5359 26.4388 175.1701 71 G 4.0600 8.3257 106.5405 45.3742 0.0000 172.5479 72 F 5.0401 8.1759 125.4191 58.2051 42.2970 174.4813 73 L 4.1021 6.9096 124.9708 53.2105 43.0725 176.5668 74 R 3.4482 7.7851 123.6060 58.6479 30.4342 178.6517 75 K 4.0010 8.0230 118.0469 59.0845 32.2836 177.5478 76 F 4.5387 8.6726 116.9449 56.8837 39.1269 178.2812 77 G 4.1549 8.1071 110.7382 47.1854 0.0000 174.1491 78 L 5.0274 9.4578 117.2957 54.5766 41.1411 177.2421 79 S 5.0040 8.6419 122.3359 56.1765 65.9977 174.7080 80 R 4.1408 8.6788 113.4011 57.4922 29.0284 176.3141 81 I 4.3188 7.4491 117.4698 63.3935 39.2919 177.9638 82 K 4.3151 7.8933 118.5584 58.6060 32.1384 178.8716 83 V 3.8737 7.9060 117.6954 63.9867 31.4056 177.1767 84 R 4.1313 8.0242 120.5064 59.2371 30.0263 177.7211 85 E 3.9660 8.0335 117.2095 59.4216 29.6824 179.2600 86 A 4.0091 7.8433 120.4867 55.1512 18.3029 179.3991 87 A 4.1711 7.6643 117.2519 54.4557 18.5155 178.5830 88 M 4.3228 7.6567 115.2591 55.6919 32.6021 177.4266 89 R 4.4609 7.5195 117.3992 58.2635 31.7706 177.3033 90 G 4.2322 8.3192 107.2420 45.7588 0.0000 174.9072 91 E 4.0420 8.3118 115.9048 57.2544 29.2643 176.8761 92 I 4.4812 7.6513 120.2549 58.7828 39.3149 173.4639 93 P 4.5398 0.0000 0.0000 62.9705 32.4718 176.9816 94 G 4.0004 8.8467 108.0012 45.4312 0.0000 173.9461 95 L 4.4247 7.0456 120.9562 53.5595 40.9135 176.2824 96 K 4.4355 7.8707 126.8134 54.8997 34.1586 175.0974 97 K 4.4096 8.4618 117.9234 54.5012 33.1881 175.8351 98 A 4.0855 8.3993 127.5045 52.2945 18.8984 176.6350 99 S 5.0433 8.4394 110.4303 58.3048 64.8548 177.2885 100 W 4.2584 8.7956 122.0737 57.1255 27.2024 174.0903 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 1 A 8.26 4.14 1.05 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 2 K 8.83 3.55 0.00 1.93 1.96 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.61 7.81 3 Q 8.09 4.07 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.63 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 4 S 7.96 4.26 0.00 3.85 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 5 M 8.62 4.45 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.44 0.00 6 K 7.87 4.16 0.00 1.74 1.95 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.41 7.81 7 A 7.46 4.37 1.33 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 0.00 0.00 0.00 8 R 7.19 3.78 0.00 2.03 1.86 0.00 3.12 0.00 0.00 3.08 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 9 E 8.37 3.50 0.00 2.00 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 2.35 2.30 0.00 10 V 7.39 3.77 2.23 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 0.98 0.00 0.00 0.97 0.00 0.00 11 K 9.16 4.11 0.00 1.84 1.84 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.63 7.81 12 R 7.35 4.44 0.00 1.85 1.97 0.00 3.34 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.59 0.00 13 V 7.32 4.12 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 0.99 0.00 0.00 1.01 0.00 0.00 14 A 7.81 4.09 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 15 L 7.91 3.96 0.00 1.95 1.86 0.95 0.88 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 16 A 7.59 3.95 1.40 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 0.00 0.00 0.00 17 D 8.64 4.44 0.00 2.93 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 18 K 7.75 4.07 0.00 1.96 1.94 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.41 7.81 19 Y 7.62 4.17 0.00 2.98 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 20 F 8.29 4.33 0.00 3.03 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 21 A 8.17 4.62 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 22 K 7.82 4.40 0.00 1.79 1.83 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.42 7.81 23 R 7.81 4.07 0.00 1.82 1.84 0.00 3.07 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 24 A 7.97 4.53 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 25 E 7.98 4.52 0.00 2.02 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 2.31 2.28 0.00 26 L 7.55 4.17 0.00 2.07 1.76 0.98 0.58 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 27 K 7.71 3.97 0.00 1.85 1.74 0.00 1.88 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.71 7.81 28 A 8.43 4.27 1.33 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 0.00 0.00 0.00 29 I 7.66 3.46 2.08 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.76 0.93 0.00 0.00 30 I 6.75 4.11 1.97 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.55 1.11 0.00 0.00 31 S 7.47 5.49 0.00 3.96 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 32 D 7.65 4.92 0.00 2.78 2.48 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 V 8.37 4.49 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 0.76 0.00 0.00 0.94 0.00 0.00 34 N 8.19 4.86 0.00 2.70 2.82 0.00 0.00 6.84 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 35 A 7.73 4.56 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 *40 R 7.65 4.21 0.00 1.88 2.01 0.00 3.41 0.00 0.00 3.32 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 41 W 7.85 4.42 0.00 3.37 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 6.86 4.35 0.00 1.96 2.52 0.00 0.00 6.92 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 43 A 7.40 4.17 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 0.00 0.00 0.00 0.00 0.00 44 V 7.86 3.77 2.19 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 1.23 0.00 0.00 1.01 0.00 0.00 45 L 7.47 4.20 0.00 1.91 1.69 0.92 0.82 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 46 K 7.63 4.42 0.00 1.71 1.77 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.40 7.81 47 L 8.01 4.50 0.00 1.73 1.70 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.18 4.52 0.00 2.24 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 49 T 7.24 4.48 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 1.22 0.00 0.00 50 L 7.85 4.34 0.00 1.62 1.71 0.72 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 3.97 0.00 2.29 1.88 0.00 3.81 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.48 0.00 52 R 7.77 3.84 0.00 2.04 1.79 0.00 3.23 0.00 0.00 3.26 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 53 D 8.37 4.50 0.00 2.65 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 54 S 7.71 4.60 0.00 3.87 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 55 S 7.94 3.52 0.00 3.95 3.53 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 56 P 0.00 4.45 0.00 2.13 2.01 0.00 3.46 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.74 0.00 57 S 7.71 4.28 0.00 3.82 3.91 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 0.00 0.00 0.00 58 R 7.17 4.35 0.00 1.81 1.89 0.00 2.97 0.00 0.00 3.20 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 59 Q 7.48 4.48 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 60 R 8.60 4.22 0.00 1.65 2.06 0.00 3.32 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 61 N 7.53 4.10 0.00 2.45 1.42 0.00 0.00 6.94 7.82 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 62 R 6.78 3.58 0.00 1.81 1.83 0.00 3.19 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 63 C 8.08 3.82 0.00 3.16 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 64 R 8.08 4.12 0.00 1.93 2.00 0.00 3.34 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 65 Q 8.06 4.64 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.59 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 66 T 7.54 4.56 4.26 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 1.23 0.00 0.00 67 G 7.86 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 68 R 7.79 4.41 0.00 1.78 1.90 0.00 3.45 0.00 0.00 3.32 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 69 P 0.00 4.38 0.00 2.28 2.07 0.00 3.90 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 70 H 9.17 4.03 0.00 3.20 3.42 0.00 5.93 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.33 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 72 F 8.18 5.04 0.00 2.84 2.92 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 73 L 6.91 4.10 0.00 1.59 1.45 0.75 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.79 3.45 0.00 1.73 2.06 0.00 3.22 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.40 0.00 75 K 8.02 4.00 0.00 1.69 1.96 0.00 1.49 0.00 0.00 1.60 0.00 0.00 2.57 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.41 1.17 7.81 76 F 8.67 4.54 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.11 4.15 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 0.00 78 L 9.46 5.03 0.00 1.78 1.19 1.01 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.64 5.00 0.00 4.04 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 80 R 8.68 4.14 0.00 1.93 2.09 0.00 2.99 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 81 I 7.45 4.32 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.73 0.92 0.00 0.00 82 K 7.89 4.32 0.00 1.91 1.90 0.00 1.57 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.52 7.81 83 V 7.91 3.87 2.19 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 0.50 0.00 0.00 1.02 0.00 0.00 84 R 8.02 4.13 0.00 1.98 1.99 0.00 3.15 0.00 0.00 3.17 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 85 E 8.03 3.97 0.00 2.06 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 2.41 2.39 0.00 86 A 7.84 4.01 1.39 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 0.00 0.00 0.00 87 A 7.66 4.17 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 M 7.66 4.32 0.00 2.04 2.25 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 2.58 2.92 0.00 89 R 7.52 4.46 0.00 1.90 1.97 0.00 3.32 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.85 0.00 90 G 8.32 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 91 E 8.31 4.04 0.00 1.99 2.03 0.00 0.00 0.00 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 2.31 0.00 92 I 7.65 4.48 1.97 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.67 1.07 0.00 0.00 93 P 0.00 4.54 0.00 2.21 2.16 0.00 3.70 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 2.02 1.93 0.00 94 G 8.85 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.05 4.42 0.00 1.77 1.78 0.93 0.73 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 96 K 7.87 4.44 0.00 1.77 1.72 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.46 7.81 97 K 8.46 4.41 0.00 1.80 1.76 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.42 7.81 98 A 8.40 4.09 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 99 S 8.44 5.04 0.00 4.09 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 0.00 100 W 8.80 4.26 0.00 3.38 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 * Residues marked with a * may have inaccurate shift predictions.