NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.2173 0.0000 0.0000 62.1494 33.5249 176.0298 4 D 4.3930 8.0985 117.5399 53.5221 40.3537 174.0618 5 L 4.8959 8.2245 129.3903 54.5841 43.3545 177.6431 6 S 4.5611 8.1979 115.0835 59.7415 64.2179 175.2173 7 G 3.9852 7.8233 109.8964 45.3437 0.0000 172.0220 8 T 4.2239 8.4392 116.5122 63.1177 69.8488 174.2451 9 W 4.6651 8.7665 126.6874 56.4661 30.9922 174.9616 10 Y 4.8522 9.2514 122.4820 56.5684 39.7733 175.2206 11 V 4.8860 8.9999 124.5545 61.1483 35.3187 173.8287 12 L 5.3954 8.5308 121.5190 53.2967 44.3293 175.7657 13 E 5.0876 9.2410 120.8325 55.6526 33.9349 173.7347 14 G 4.0482 9.2256 109.9833 45.5528 0.0000 175.9944 15 D 4.5931 7.2879 122.6333 52.6201 41.9138 173.8103 16 P 4.3077 0.0000 0.0000 64.7534 31.4609 177.2656 17 G 3.8417 8.9743 111.3153 45.1593 0.0000 172.5154 18 E 4.2891 8.4101 122.1328 55.6454 29.5612 175.6307 19 H 5.3919 8.5492 121.3802 54.1808 30.0454 170.7933 20 L 3.5621 8.0606 127.4856 54.7530 39.2580 172.2159 21 V 4.7622 7.9827 123.5457 60.7677 33.8615 174.5681 22 V 4.5112 8.8025 126.5963 61.1028 34.9672 173.9003 23 E 5.1642 8.6464 125.7473 54.9840 31.0831 175.1143 24 A 4.4573 9.1319 126.1308 51.8221 22.4811 175.2227 25 L 3.8024 9.2530 116.3447 55.7035 39.5252 175.0811 26 G 3.9159 8.1651 102.1148 45.9001 0.0000 172.7666 27 E 4.7445 7.4785 114.8985 55.7850 33.1469 174.0767 28 R 5.1909 8.8350 117.6316 54.6245 32.9816 175.5580 29 L 5.5869 9.0791 122.5273 52.2132 46.8204 175.3424 30 S 4.7262 7.6020 113.2361 55.8482 66.2089 172.2276 31 G 3.8776 8.5578 104.7343 44.3812 0.0000 172.1468 32 I 4.6767 6.9001 120.2839 58.6727 41.8435 173.8329 33 W 5.4817 9.1318 127.4465 55.2490 32.7100 176.4687 34 T 4.3625 9.9677 113.0953 63.0968 69.1476 175.5693 35 S 4.6694 7.8337 117.6378 56.0351 67.8860 174.6763 36 R 3.1542 7.3624 123.1652 58.7404 29.7354 178.6291 37 E 3.8220 7.7298 119.0557 59.1561 29.6707 178.5031 38 L 3.9365 7.7993 118.3055 57.5821 41.6086 179.1769 39 A 2.6706 7.5458 120.7529 54.4365 18.3587 179.2948 40 E 3.7659 8.0762 117.6049 58.9581 29.3859 179.0350 41 A 3.9079 7.8933 120.7339 54.9288 18.9058 178.9796 42 F 4.0713 7.6587 119.3266 61.3871 39.3910 177.0760 43 L 3.9388 8.2186 120.0653 58.1209 41.6476 178.7392 44 A 4.0088 8.0546 120.0094 55.1420 18.3759 178.4384 45 H 4.4011 7.6975 111.5937 56.2741 30.4102 175.5557 46 H 4.6628 7.8879 117.6063 53.5379 28.6350 170.5872 47 P 4.4194 0.0000 0.0000 62.4522 32.9122 176.6790 48 H 4.6000 8.5837 112.3738 56.9842 25.8255 175.7401 49 L 4.4753 7.4841 117.2465 53.7399 42.8764 176.0937 50 G 3.6570 7.6971 108.8121 45.7803 0.0000 172.6737 *52 R 4.2713 7.3044 117.7377 56.3032 31.9745 175.7465 53 V 4.6045 8.2626 120.1286 62.2547 32.6523 175.1859 54 S 4.9705 9.4684 123.7256 56.6693 66.2446 172.8145 55 A 4.6314 8.6081 125.1613 50.7729 20.5627 177.0404 56 L 4.3295 8.9067 123.2074 53.0989 42.6882 177.0332 57 E 3.8597 8.4560 123.8997 57.8329 30.3202 177.9098 58 S 4.2662 7.5384 111.8860 57.9717 64.5739 174.8553 59 R 3.7116 8.2900 124.9899 59.0867 29.9470 179.1782 60 A 3.9948 7.7832 120.3125 54.9250 18.2248 179.5340 61 L 4.0624 7.6918 116.9895 57.3301 41.8201 179.5167 62 K 3.8531 7.5748 118.7609 59.1095 31.7766 178.9983 63 E 3.9016 8.1412 119.4273 59.2442 29.7166 178.6710 64 A 3.9981 7.9828 120.8528 55.2275 18.4044 179.0104 65 Y 4.1024 7.9325 117.7233 61.0067 38.9345 178.3077 66 L 3.8395 8.2734 119.9719 57.8309 41.4862 179.7323 67 R 4.1180 8.2310 117.1863 58.6683 30.0315 178.5968 68 A 4.1342 7.5142 119.9509 55.0625 18.6052 179.3447 69 L 4.1345 7.7681 117.7292 57.4976 41.5833 180.1520 70 G 3.9230 8.1972 104.4089 45.0516 0.0000 174.8822 *72 L 4.2087 7.8184 119.1974 53.1650 43.6446 176.4223 73 Q 3.4545 7.8465 116.1412 56.9892 25.8278 174.1150 74 V 4.1886 7.7864 118.1060 61.0715 32.7622 174.9483 75 E 4.2276 8.6350 126.9059 59.3147 30.9164 176.3161 76 A 4.7996 7.5559 119.5869 50.5254 23.0428 175.2370 77 V 4.9304 8.3833 114.0641 59.8627 35.6403 177.8456 *79 V 3.5900 8.4556 129.0571 64.4972 32.0677 175.0383 80 D 4.2492 8.0027 129.1331 55.3503 38.3282 174.4696 81 Y 4.0424 7.4158 119.4391 57.7058 39.4338 174.7415 82 R 4.8249 7.1326 122.7874 53.4433 32.1997 173.3665 83 P 4.0173 0.0000 0.0000 65.1013 31.7650 176.0652 84 G 4.1345 7.6554 106.0258 43.9949 0.0000 172.3757 85 T 4.4790 7.9569 119.3487 61.8912 72.5991 173.4810 86 H 4.2416 8.0935 121.3372 58.6102 28.8797 175.8857 87 R 4.6143 7.4923 114.2378 54.9622 34.3372 173.8838 88 A 4.6059 8.2405 121.4188 50.8863 20.6121 177.3277 89 Q 4.2524 8.3671 121.2149 54.9547 28.6698 175.1222 90 V 4.2618 8.1552 124.0294 61.3923 32.3716 174.3975 91 A 4.6328 8.5061 131.0713 49.9861 21.2247 176.2723 92 R 4.2348 8.4178 122.7638 55.9547 31.2709 177.6355 93 V 3.6123 9.0118 125.0756 65.8903 31.4900 178.5359 94 K 3.9419 7.9899 117.8109 59.7940 31.5156 178.9400 95 D 4.4473 8.0595 118.3104 57.1347 40.7056 178.6172 96 L 4.3451 7.8648 119.6266 57.2356 41.5346 179.1855 97 L 3.9520 8.0381 120.5138 58.2088 41.9124 178.5392 98 E 3.9584 7.8424 117.0677 59.6414 29.5327 179.0077 99 E 4.1326 7.6076 116.0673 59.7031 29.7015 179.5300 100 V 3.6806 7.4433 116.1447 65.6849 31.6147 176.4779 101 R 4.2264 8.1270 121.9259 56.3652 30.1364 176.1275 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 P 0.00 4.22 0.00 2.06 2.17 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.07 0.00 4 D 8.10 4.39 0.00 2.72 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 5 L 8.22 4.90 0.00 1.71 1.87 0.86 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.20 4.56 0.00 4.04 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 0.00 7 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 8 T 8.44 4.22 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 0.67 0.00 0.00 9 W 8.77 4.67 0.00 3.10 2.88 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 0.00 0.00 0.00 10 Y 9.25 4.85 0.00 3.23 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 11 V 9.00 4.89 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 0.96 0.00 0.00 0.16 0.00 0.00 12 L 8.53 5.40 0.00 1.90 1.69 0.83 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 13 E 9.24 5.09 0.00 1.84 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 2.46 2.37 0.00 14 G 9.23 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 15 D 7.29 4.59 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 16 P 0.00 4.31 0.00 2.04 2.04 0.00 3.71 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 2.04 2.12 0.00 17 G 8.97 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 0.00 0.00 0.00 18 E 8.41 4.29 0.00 1.96 2.05 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 2.29 2.28 0.00 19 H 8.55 5.39 0.00 3.26 3.52 0.00 5.88 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.06 3.56 0.00 2.03 1.87 1.02 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.98 4.76 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 0.87 0.00 0.00 0.94 0.00 0.00 22 V 8.80 4.51 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 0.89 0.00 0.00 0.93 0.00 0.00 23 E 8.65 5.16 0.00 1.87 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 2.21 2.28 0.00 24 A 9.13 4.46 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 25 L 9.25 3.80 0.00 1.77 1.74 0.92 0.90 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 26 G 8.17 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 27 E 7.48 4.74 0.00 2.27 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 2.32 2.15 0.00 28 R 8.84 5.19 0.00 1.82 1.81 0.00 3.05 0.00 0.00 3.49 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 29 L 9.08 5.59 0.00 1.37 1.45 0.96 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.60 4.73 0.00 3.81 3.63 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 31 G 8.56 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 32 I 6.90 4.68 1.54 0.00 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.37 0.42 0.00 0.00 33 W 9.13 5.48 0.00 3.59 2.95 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 34 T 9.97 4.36 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 1.30 0.00 0.00 35 S 7.83 4.67 0.00 3.86 3.63 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 36 R 7.36 3.15 0.00 0.99 1.50 0.00 3.15 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 37 E 7.73 3.82 0.00 2.02 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 2.33 2.40 0.00 38 L 7.80 3.94 0.00 1.97 1.91 1.03 0.94 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 39 A 7.55 2.67 1.10 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 0.00 0.00 40 E 8.08 3.77 0.00 2.26 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 2.25 2.31 0.00 41 A 7.89 3.91 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 42 F 7.66 4.07 0.00 2.99 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 43 L 8.22 3.94 0.00 1.82 1.72 0.95 1.20 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 44 A 8.05 4.01 1.35 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 0.00 0.00 0.00 45 H 7.70 4.40 0.00 3.10 3.12 0.00 5.80 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 7.89 4.66 0.00 2.80 3.12 0.00 5.84 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.42 0.00 1.70 1.81 0.00 3.58 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.12 0.00 48 H 8.58 4.60 0.00 3.31 3.40 0.00 5.68 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.48 4.48 0.00 1.51 1.73 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 50 G 7.70 3.66 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 0.00 0.00 0.00 *52 R 7.30 4.27 0.00 1.95 2.14 0.00 2.98 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.68 0.00 53 V 8.26 4.60 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 0.96 0.00 0.00 0.86 0.00 0.00 54 S 9.47 4.97 0.00 3.77 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 55 A 8.61 4.63 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 56 L 8.91 4.33 0.00 1.35 1.40 0.63 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.46 3.86 0.00 1.84 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 2.19 2.20 0.00 58 S 7.54 4.27 0.00 3.85 3.61 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 59 R 8.29 3.71 0.00 1.80 1.84 0.00 3.12 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 60 A 7.78 3.99 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 61 L 7.69 4.06 0.00 1.73 1.65 0.87 0.74 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 62 K 7.57 3.85 0.00 1.34 0.75 0.00 0.78 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.37 1.06 7.81 63 E 8.14 3.90 0.00 2.08 2.05 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 2.30 2.32 0.00 64 A 7.98 4.00 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 65 Y 7.93 4.10 0.00 3.08 3.32 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 66 L 8.27 3.84 0.00 1.94 1.73 1.13 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.23 4.12 0.00 1.76 1.98 0.00 3.16 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 68 A 7.51 4.13 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.77 4.13 0.00 1.71 1.55 0.46 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.20 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 *72 L 7.82 4.21 0.00 1.86 1.75 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 7.85 3.45 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 74 V 7.79 4.19 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 0.80 0.00 0.00 0.92 0.00 0.00 75 E 8.64 4.23 0.00 1.97 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 2.51 2.38 0.00 76 A 7.56 4.80 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 77 V 8.38 4.93 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 0.95 0.00 0.00 0.70 0.00 0.00 *79 V 8.46 3.59 1.92 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 0.61 0.00 0.00 0.73 0.00 0.00 80 D 8.00 4.25 0.00 2.80 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 81 Y 7.42 4.04 0.00 2.66 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 82 R 7.13 4.82 0.00 1.93 1.89 0.00 3.13 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.56 0.00 83 P 0.00 4.02 0.00 2.03 2.11 0.00 3.59 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 1.98 2.10 0.00 84 G 7.66 4.13 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 0.00 85 T 7.96 4.48 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 1.14 0.00 0.00 86 H 8.09 4.24 0.00 3.14 3.34 0.00 5.68 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.49 4.61 0.00 1.75 1.80 0.00 3.19 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 88 A 8.24 4.61 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 89 Q 8.37 4.25 0.00 1.85 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 90 V 8.16 4.26 2.04 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 0.72 0.00 0.00 0.96 0.00 0.00 91 A 8.51 4.63 1.11 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 92 R 8.42 4.23 0.00 1.86 1.85 0.00 3.26 0.00 0.00 3.43 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 93 V 9.01 3.61 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 0.94 0.00 0.00 0.91 0.00 0.00 94 K 7.99 3.94 0.00 1.83 1.85 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.53 7.81 95 D 8.06 4.45 0.00 2.81 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 96 L 7.86 4.35 0.00 1.99 2.00 0.76 0.39 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 97 L 8.04 3.95 0.00 2.03 1.67 0.92 0.86 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 98 E 7.84 3.96 0.00 2.02 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 2.36 2.55 0.00 99 E 7.61 4.13 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 2.39 2.59 0.00 100 V 7.44 3.68 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 0.69 0.00 0.00 0.86 0.00 0.00 101 R 8.13 4.23 0.00 1.94 1.82 0.00 3.25 0.00 0.00 3.27 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.85 0.00 * Residues marked with a * may have inaccurate shift predictions.