NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4100 8.1933 115.2854 58.1125 63.9537 174.1817 2 T 3.6692 8.6262 124.9712 66.5321 68.3997 175.2213 3 L 3.9831 8.2389 122.2468 57.6227 42.0962 178.9358 4 A 3.9558 7.6727 120.9681 54.8074 18.3171 179.1606 5 D 4.2748 8.3145 116.8215 57.3288 41.2804 178.5431 6 Q 3.9980 7.9863 118.6612 58.6654 28.6425 178.2180 7 A 4.0065 7.8510 121.8100 54.9453 18.1513 179.1394 8 L 3.7708 7.5761 117.6910 58.5376 42.1581 178.2203 9 H 4.5590 7.4296 111.8267 54.4612 29.1730 174.8659 10 N 4.5395 7.2485 119.7090 53.4172 39.2208 174.4814 11 N 4.5696 9.1912 122.8070 56.0784 39.9522 174.0179 12 N 5.2459 8.5752 116.1911 51.8540 39.8902 175.2813 13 V 4.5977 10.5409 117.7408 59.2261 35.5571 175.9005 14 G 4.1807 7.9336 109.2443 43.3496 0.0000 170.4833 15 P 4.5555 0.0000 0.0000 62.2838 33.3687 175.2335 16 I 4.9533 8.6674 122.2215 59.7830 39.8129 174.4802 17 I 4.9392 8.7321 128.5233 59.1455 39.4997 175.6455 18 R 4.5576 8.2998 125.7049 56.5450 30.7349 176.5546 19 A 4.0075 8.7503 124.7218 51.7990 19.3317 178.7386 20 G 3.7999 8.4251 107.6568 45.0641 0.0000 172.8428 21 D 4.5832 8.3325 119.5547 55.8018 41.1213 176.7789 22 L 4.3338 7.7091 120.8901 56.3451 43.2193 178.1658 23 V 3.6072 7.7427 118.0278 66.2715 31.2599 177.8123 24 E 3.9218 8.0586 117.2222 59.0998 29.5153 177.2493 25 P 4.3187 0.0000 0.0000 65.8570 31.2363 178.7929 26 V 3.6304 7.9087 116.8279 65.6535 31.4340 178.0460 27 I 3.6687 8.0142 119.9731 64.4965 36.9853 177.8459 28 E 3.9267 8.2193 119.2068 60.1267 29.3502 179.8687 29 T 3.8831 8.0035 115.0933 66.4896 67.9731 176.5453 30 A 4.1464 8.3392 123.0627 55.1841 18.1060 179.6815 31 E 3.9219 7.8412 116.0500 59.5920 29.7451 179.2492 32 I 3.8557 7.8345 118.6001 64.5938 37.4171 177.8631 33 D 4.6522 8.0579 116.2119 54.8047 42.3252 176.3266 34 N 5.0978 7.6665 116.3999 50.8775 38.7953 172.3696 35 P 4.3834 0.0000 0.0000 63.9764 32.3499 178.0407 36 G 3.9233 8.8540 109.5675 45.3731 0.0000 173.1578 37 K 4.3048 7.3753 120.7548 54.7188 33.2524 175.7386 38 E 4.0720 8.6783 126.2974 56.3020 29.9834 175.7652 39 I 4.7947 8.2325 126.5831 59.8293 40.1174 174.9735 40 T 4.7143 9.0783 122.3039 61.7499 71.5850 173.3422 41 V 4.8558 8.3301 124.4039 61.1176 34.8872 174.1857 42 E 4.5320 9.1910 127.8220 54.6301 32.8467 173.3490 43 D 4.8510 8.8075 127.4099 52.7912 42.0656 175.8468 44 R 4.2943 8.0286 124.7437 55.8647 30.5773 176.8686 45 R 4.2160 8.1556 121.5790 56.8216 29.2048 177.7412 46 A 4.3356 7.5315 118.5791 55.2021 19.7131 175.8435 47 Y 5.2146 6.8931 111.0783 56.4196 41.6270 173.7906 48 V 4.8829 9.0188 119.6583 61.1560 35.0673 173.9140 49 R 4.8979 8.9782 128.5069 55.2883 31.9139 174.7531 50 I 5.0932 8.5356 126.8255 59.5446 40.1595 174.5604 51 A 5.2427 9.0840 127.3415 50.5508 23.2361 174.3747 52 A 5.0686 8.7795 120.0281 50.0743 23.5539 175.3202 53 E 4.3218 8.7253 118.9012 57.7458 29.9831 176.7417 54 G 4.3723 10.2900 116.9947 45.1313 0.0000 172.8119 55 E 5.4098 7.4746 116.2155 55.0996 32.7963 174.3984 56 L 4.7885 9.0507 126.6047 53.8244 45.6924 174.6215 57 I 5.1181 8.3441 125.8471 59.5812 39.9611 175.3039 58 L 4.8434 8.9225 125.5103 53.2191 44.9645 176.0348 59 T 4.7417 9.0855 115.2375 60.3586 70.4939 175.7510 60 R 4.0628 9.3689 125.3776 60.0211 30.0968 178.4044 61 K 3.8388 8.1345 118.4959 60.0788 32.1524 178.3201 62 T 4.0310 7.9246 115.0378 66.9731 68.5166 176.5725 63 L 3.7721 7.6386 120.4155 57.3831 41.4348 179.2438 64 E 3.8930 8.0651 119.5441 59.2323 29.4637 178.4088 65 E 3.9629 7.7084 115.8536 59.9857 29.4454 178.9370 66 Q 4.1039 7.7639 117.4699 57.9334 28.8772 177.7939 67 L 4.3072 8.1980 119.9677 54.5705 41.6685 177.6914 68 G 4.4373 8.4145 106.0308 46.0060 0.0000 172.6949 69 R 4.7576 7.3044 113.4994 52.7287 32.7556 172.9554 70 P 5.2283 0.0000 0.0000 62.4417 31.7141 176.0979 71 F 4.6732 8.7764 123.3355 56.4167 42.1903 172.9929 72 N 4.7269 7.8233 125.9330 51.7383 40.7934 174.9755 73 M 3.9549 8.6002 124.5963 58.8563 31.9517 178.4544 74 Q 4.1146 8.4900 121.0863 58.7802 28.8309 178.8356 75 E 4.0343 7.7601 119.1647 58.7339 29.7602 178.3931 76 L 4.2792 7.7591 120.2158 58.2693 41.9061 178.6052 77 E 3.9882 8.2875 118.5811 59.4153 29.2514 179.0332 78 I 3.9194 8.3164 117.0499 62.7673 38.0756 175.9386 79 N 4.8580 8.2047 116.8620 53.2636 38.7326 174.3792 80 L 4.7578 7.6216 119.5527 53.3836 40.8291 176.1288 81 A 4.1602 8.2751 126.3743 55.3064 18.9252 176.6241 82 S 4.6523 7.4994 107.1915 59.2112 65.7012 173.0978 83 F 5.1542 7.8836 112.1242 56.4933 40.2651 172.8986 84 A 4.6961 9.1169 121.4030 51.4577 21.9266 177.3761 85 G 3.9126 8.9939 107.9737 44.7704 0.0000 172.6245 86 Q 4.5599 8.3050 117.7707 54.7220 31.1155 175.1930 87 I 4.9126 8.0341 120.0850 59.7178 40.4742 175.1299 88 Q 4.7935 9.0782 125.2651 54.0592 31.3086 174.5987 89 A 5.1345 8.4174 124.4912 50.7628 22.4511 175.1481 90 D 4.5294 8.6748 118.8395 52.4381 41.9339 175.5476 91 E 4.0834 8.8433 115.5637 59.1786 29.9843 177.1510 92 D 4.7246 8.7773 119.1795 54.9914 42.2544 175.4895 93 Q 4.9874 7.4463 115.7982 55.4284 32.5332 172.8156 94 I 4.7503 8.4421 119.8145 59.0558 41.3041 173.8023 95 R 4.9268 8.8104 129.8679 54.6359 32.3396 174.3611 96 F 5.3219 9.0475 126.1546 56.9428 40.7930 174.6353 97 Y 5.4623 9.0309 120.4972 55.4156 41.6801 174.0605 98 F 4.5574 9.1268 123.2281 58.4639 40.4847 174.1120 99 D 4.6404 7.0138 123.0434 51.6802 41.4309 176.4966 100 K 4.2746 8.4713 126.4226 58.0374 32.6189 177.8977 101 T 4.1289 7.7866 110.2499 63.3420 70.0063 175.3549 *102 M 4.2654 7.9119 123.8331 54.5891 32.0959 178.8985 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 S 8.19 4.41 0.00 3.84 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 2 T 8.63 3.67 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 3 L 8.24 3.98 0.00 1.64 1.66 0.89 1.00 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 4 A 7.67 3.96 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 5 D 8.31 4.27 0.00 2.91 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 6 Q 7.99 4.00 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 7 A 7.85 4.01 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.58 3.77 0.00 1.50 1.81 0.80 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 9 H 7.43 4.56 0.00 3.14 3.29 0.00 5.71 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 7.25 4.54 0.00 2.98 2.87 0.00 0.00 7.09 7.67 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 11 N 9.19 4.57 0.00 2.75 2.84 0.00 0.00 7.04 6.92 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 12 N 8.58 5.25 0.00 2.63 2.77 0.00 0.00 6.86 7.05 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 13 V 10.54 4.60 2.38 0.00 0.00 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 1.22 0.00 0.00 14 G 7.93 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 0.00 0.00 0.00 15 P 0.00 4.56 0.00 2.09 2.08 0.00 3.45 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 16 I 8.67 4.95 1.99 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.99 0.82 0.00 0.00 17 I 8.73 4.94 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.13 1.02 0.00 0.00 18 R 8.30 4.56 0.00 1.71 1.95 0.00 3.21 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.83 0.00 19 A 8.75 4.01 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 20 G 8.43 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 21 D 8.33 4.58 0.00 2.71 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 22 L 7.71 4.33 0.00 1.77 1.70 1.01 1.05 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 23 V 7.74 3.61 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 1.07 0.00 0.00 0.99 0.00 0.00 24 E 8.06 3.92 0.00 2.04 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 2.39 2.40 0.00 25 P 0.00 4.32 0.00 2.06 2.01 0.00 3.64 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.12 0.00 26 V 7.91 3.63 2.27 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 1.15 0.00 0.00 0.99 0.00 0.00 27 I 8.01 3.67 1.98 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 1.52 0.70 0.91 0.00 0.00 28 E 8.22 3.93 0.00 2.15 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 2.32 2.36 0.00 29 T 8.00 3.88 4.35 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 0.00 0.00 0.00 1.22 0.00 0.00 30 A 8.34 4.15 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 31 E 7.84 3.92 0.00 2.20 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 0.00 2.34 2.34 0.00 32 I 7.83 3.86 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.59 0.91 0.00 0.00 33 D 8.06 4.65 0.00 2.67 2.72 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 34 N 7.67 5.10 0.00 2.99 2.73 0.00 0.00 6.65 7.91 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 35 P 0.00 4.38 0.00 2.18 2.06 0.00 3.88 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 36 G 8.85 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 37 K 7.38 4.30 0.00 1.67 1.87 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.13 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.42 7.81 38 E 8.68 4.07 0.00 1.97 1.85 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 2.29 2.33 0.00 39 I 8.23 4.79 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 1.35 0.78 0.91 0.00 0.00 40 T 9.08 4.71 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 1.21 0.00 0.00 41 V 8.33 4.86 2.08 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 0.78 0.00 0.00 0.93 0.00 0.00 42 E 9.19 4.53 0.00 2.04 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 2.18 2.22 0.00 43 D 8.81 4.85 0.00 2.68 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 44 R 8.03 4.29 0.00 0.82 1.54 0.00 3.51 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 1.33 1.03 0.00 45 R 8.16 4.22 0.00 1.94 2.08 0.00 3.29 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.65 0.00 46 A 7.53 4.34 1.37 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 0.00 0.00 0.00 47 Y 6.89 5.21 0.00 3.18 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 48 V 9.02 4.88 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 1.04 0.00 0.00 0.95 0.00 0.00 49 R 8.98 4.90 0.00 2.08 1.85 0.00 3.09 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 50 I 8.54 5.09 1.83 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 1.16 0.78 0.90 0.00 0.00 51 A 9.08 5.24 1.18 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 0.00 0.00 52 A 8.78 5.07 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 53 E 8.73 4.32 0.00 1.85 1.85 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 2.38 2.30 0.00 54 G 10.29 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 0.00 0.00 0.00 0.00 55 E 7.47 5.41 0.00 2.10 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 2.22 2.35 0.00 56 L 9.05 4.79 0.00 1.85 1.65 0.96 0.94 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 57 I 8.34 5.12 1.91 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 1.25 0.82 0.93 0.00 0.00 58 L 8.92 4.84 0.00 1.63 1.59 1.13 0.74 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 59 T 9.09 4.74 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 1.28 0.00 0.00 60 R 9.37 4.06 0.00 2.01 2.11 0.00 3.35 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.92 0.00 61 K 8.13 3.84 0.00 1.92 1.78 0.00 1.70 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.61 7.81 62 T 7.92 4.03 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 1.22 0.00 0.00 63 L 7.64 3.77 0.00 1.29 0.62 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.07 3.89 0.00 2.13 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 2.34 2.64 0.00 65 E 7.71 3.96 0.00 2.18 2.08 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 2.49 2.34 0.00 66 Q 7.76 4.10 0.00 2.10 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.98 0.00 0.00 0.00 0.00 0.00 2.65 2.48 0.00 67 L 8.20 4.31 0.00 1.76 1.71 0.80 0.82 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 68 G 8.41 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 69 R 7.30 4.76 0.00 1.98 1.91 0.00 3.17 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.82 0.00 70 P 0.00 5.23 0.00 2.09 2.06 0.00 3.71 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 71 F 8.78 4.67 0.00 2.90 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 72 N 7.82 4.73 0.00 2.58 2.36 0.00 0.00 7.17 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 73 M 8.60 3.95 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.77 0.00 74 Q 8.49 4.11 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 75 E 7.76 4.03 0.00 1.70 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 2.42 2.31 0.00 76 L 7.76 4.28 0.00 2.18 1.99 1.06 1.17 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 77 E 8.29 3.99 0.00 2.05 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 2.28 2.39 0.00 78 I 8.32 3.92 1.95 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 1.53 0.63 0.92 0.00 0.00 79 N 8.20 4.86 0.00 3.04 2.83 0.00 0.00 6.81 7.37 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 80 L 7.62 4.76 0.00 1.89 1.83 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.28 4.16 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.50 4.65 0.00 3.73 3.55 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 83 F 7.88 5.15 0.00 3.19 3.05 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 84 A 9.12 4.70 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 85 G 8.99 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 0.00 0.00 0.00 86 Q 8.30 4.56 0.00 0.93 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.71 0.00 0.00 0.00 0.00 0.00 2.12 2.02 0.00 87 I 8.03 4.91 1.67 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.20 0.60 0.00 0.00 88 Q 9.08 4.79 0.00 1.90 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 89 A 8.42 5.13 1.07 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 0.00 0.00 90 D 8.67 4.53 0.00 2.79 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 91 E 8.84 4.08 0.00 2.08 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 0.00 2.27 2.26 0.00 92 D 8.78 4.72 0.00 2.77 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 93 Q 7.45 4.99 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 94 I 8.44 4.75 1.74 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 1.37 0.96 0.00 0.00 95 R 8.81 4.93 0.00 1.81 1.79 0.00 2.99 0.00 0.00 2.84 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 96 F 9.05 5.32 0.00 3.22 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 97 Y 9.03 5.46 0.00 3.24 3.03 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 0.00 0.00 0.00 98 F 9.13 4.56 0.00 3.09 3.12 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 99 D 7.01 4.64 0.00 2.29 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 0.00 0.00 0.00 100 K 8.47 4.27 0.00 1.83 1.94 0.00 1.89 0.00 0.00 1.92 0.00 0.00 3.20 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.71 1.56 7.81 101 T 7.79 4.13 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 1.21 0.00 0.00 *102 M 7.91 4.27 0.00 1.81 1.92 0.00 0.00 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 * Residues marked with a * may have inaccurate shift predictions.