NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2227 8.2644 123.5742 51.9996 20.1447 176.1362 3 S 4.5253 8.2012 116.4350 55.5020 64.8760 173.1066 4 L 3.8241 8.7493 132.6349 58.3649 42.7204 178.0668 5 A 4.0296 8.1258 120.2816 55.5956 18.1367 179.5013 6 R 3.8631 7.9393 116.2062 59.4988 30.0775 178.6142 7 A 4.2593 7.9934 120.6913 55.0513 18.2799 179.8309 8 V 3.4371 8.3199 117.3322 66.1525 31.6501 177.8180 9 E 3.9395 8.1166 118.6350 59.5026 29.2421 179.0877 10 R 4.0659 8.0165 118.0640 58.7916 30.1041 178.8057 11 L 3.9390 7.6424 120.5995 57.7843 42.1701 178.5824 12 K 3.8413 8.2712 119.5895 59.6097 32.0419 178.1188 13 A 3.9838 8.0423 120.5053 55.5333 18.1204 179.4989 14 A 4.0639 7.6697 117.5129 55.2394 18.4691 179.4667 15 L 4.1606 7.7558 116.7138 57.5088 41.7725 179.0090 16 E 4.1351 8.0598 118.2436 58.2077 29.9369 178.0230 17 R 4.0563 7.2439 116.7742 55.3314 30.7534 174.8021 18 P 4.2995 0.0000 0.0000 62.7927 31.6580 176.2689 19 K 4.1179 8.5221 122.6559 56.5064 33.0113 175.5156 20 D 4.3503 7.9057 122.1449 51.5761 42.4904 176.8363 21 E 3.7078 8.0478 117.6066 59.7485 29.2193 178.8997 22 F 4.1738 7.5968 118.9310 60.0803 39.0711 177.6980 23 I 3.8138 8.2854 119.1181 64.4681 36.9326 178.0006 24 R 4.0825 8.4657 119.8346 60.0288 29.8578 178.0023 25 D 4.4798 8.8285 118.8388 57.6430 40.9367 179.3029 26 S 4.2987 8.5421 114.2797 61.0852 62.9453 176.4229 27 A 4.0759 8.1923 124.8111 54.8201 18.0607 179.6416 28 I 3.7321 7.8161 118.3654 64.7817 37.0377 178.4885 29 Q 4.0524 8.2966 120.1777 59.0414 28.7337 177.8885 30 R 3.4627 7.9508 117.7543 57.1335 30.2731 178.0127 31 F 4.3112 7.6528 121.2320 60.4128 39.3789 176.8442 32 E 3.7275 8.2776 119.4450 58.9307 29.3821 178.4266 33 F 4.4130 7.4575 112.4640 59.0833 38.5199 177.9440 34 T 3.8699 6.8152 113.5571 64.6524 67.0096 175.9361 35 F 4.2830 8.0117 122.9399 60.8866 39.2485 176.9175 36 E 4.3744 7.9186 118.9179 59.3771 29.5743 178.8359 37 L 3.9625 8.1440 118.9231 57.3031 41.7591 179.2903 38 A 3.9850 7.5930 121.2403 54.9107 18.3832 179.7326 39 W 4.1011 7.9432 115.2351 59.4833 28.4832 178.7447 40 K 3.2690 7.1544 118.6688 58.5814 31.2863 179.1733 41 T 4.0044 7.4507 116.0047 65.7401 68.3992 177.1568 42 L 3.9097 7.5774 120.7246 57.5583 41.6871 178.8767 43 K 3.8851 8.2138 120.0540 60.0660 31.8889 178.5348 44 T 3.7628 7.5522 114.9618 66.5929 68.1894 176.1129 45 F 4.0462 7.8803 120.8726 61.3901 39.7010 176.6701 46 L 4.0081 8.8353 119.2740 57.9697 41.4771 179.2679 47 E 4.1696 8.3402 120.0002 58.8730 29.2104 179.4074 48 L 3.9042 7.8080 119.0278 57.9075 42.1914 178.4436 49 Q 4.0091 7.4749 116.4161 56.5567 28.6533 176.7266 50 G 3.7981 8.0250 108.1238 45.6872 0.0000 172.7482 51 L 4.8404 7.5949 119.1348 52.2340 45.0617 174.6577 52 E 4.6749 8.4463 118.3517 54.6160 32.3405 174.6355 53 A 4.6384 8.4448 127.4930 50.9647 21.7719 175.5705 54 R 4.4219 8.9359 122.3425 57.5552 31.4008 177.3045 55 S 4.6543 7.6085 111.0858 55.2161 67.1186 173.0122 56 P 3.7692 0.0000 0.0000 65.6364 30.9624 178.8497 57 R 3.8432 7.7881 116.3584 59.4832 30.0205 177.9334 58 A 4.0352 7.8790 120.0780 55.4248 18.3061 179.5163 59 A 3.9701 8.4120 119.3305 55.2748 18.4989 180.0391 60 I 3.2348 7.7283 118.4012 64.2533 37.1839 178.5811 61 R 4.1077 8.4852 120.1492 59.4097 29.9245 178.8181 62 G 3.5934 8.4172 105.6553 47.5522 0.0000 175.4426 63 A 3.9389 7.7151 123.0589 54.9925 18.3668 179.7853 64 F 4.6687 7.5292 117.3588 60.2598 38.7863 177.4897 65 Q 3.9808 7.9170 118.2259 59.5099 28.8163 178.1027 66 V 3.7453 7.7705 108.0038 62.1278 31.4761 177.1920 67 G 3.9136 8.0535 108.0617 45.9085 0.0000 174.9350 68 L 3.9889 7.2348 121.1295 56.6604 42.8749 176.8131 69 L 4.5132 7.3523 118.2514 53.0346 43.1502 174.9925 70 P 4.6559 0.0000 0.0000 61.6265 32.3916 175.4883 71 E 3.0434 8.4906 120.0729 56.6332 29.2576 176.2917 72 D 4.5183 7.3599 126.4707 52.5311 42.8200 173.5953 73 P 4.5943 0.0000 0.0000 64.2137 31.8152 178.0505 74 F 4.2594 9.4426 122.3306 61.0075 38.9336 176.8578 75 W 4.1305 8.0808 117.8169 59.6819 29.1187 178.0354 76 L 4.3467 8.0051 118.3434 57.3817 41.0457 179.7859 77 E 4.0056 7.5567 116.8459 56.5151 28.8130 178.5909 *79 L 3.7562 8.0402 122.9893 54.9480 43.7946 178.3846 80 E 3.9330 7.9934 117.8959 58.9011 29.6717 178.5482 81 L 4.0905 7.8054 119.2879 57.6212 41.3618 179.0147 82 R 3.9168 7.8540 118.0968 59.3952 29.5492 177.1469 83 N 4.5113 7.6634 113.0255 53.8395 39.0977 175.9866 84 L 4.5677 8.1151 121.1506 54.8047 42.0566 177.9891 85 T 3.8742 7.4149 111.0387 65.1765 68.1822 175.4393 86 N 4.5825 8.1208 116.9646 54.4983 37.5535 174.8960 87 H 4.6663 8.2513 118.5242 56.1048 29.2018 175.7753 88 T 4.0856 7.4672 115.9422 64.4203 68.5671 176.3071 89 Y 4.0862 7.6026 119.7097 58.9560 38.0032 175.6986 90 D 4.6502 7.0825 121.3984 52.7210 41.3189 176.6436 91 E 3.9535 8.6923 127.4577 59.1718 29.3449 179.0665 92 A 4.0160 7.9963 120.6092 54.6546 18.3298 179.3204 93 L 3.8263 9.0839 119.7465 58.1312 42.1400 178.7222 94 A 3.9735 7.6262 120.8903 55.4878 18.2769 179.5214 95 E 3.9124 8.1827 116.9237 59.4310 29.2469 179.5775 96 R 3.8962 7.4808 117.9174 59.3170 30.3213 178.5159 97 I 3.7302 8.0666 119.9040 64.4350 37.2086 177.3432 98 Y 3.8231 8.2453 120.5096 61.0698 38.3248 178.1945 99 A 4.3013 7.8805 119.7138 55.1890 18.6647 178.5764 100 E 4.2464 8.2705 115.2971 57.1147 29.8695 178.5226 101 L 3.6617 7.8354 120.7646 57.2294 41.4040 177.4258 102 P 4.2344 0.0000 0.0000 65.3492 31.5653 178.5812 103 K 4.0572 7.7569 116.6774 59.2972 32.0748 178.9468 104 A 3.8720 7.8484 121.0817 55.1675 18.1894 179.4573 105 L 4.1597 8.3282 119.1379 58.2813 42.1863 179.0238 106 E 3.9679 7.8728 118.2197 59.5296 29.3591 179.5828 107 R 3.9934 7.6757 117.5526 58.9091 30.0277 179.0179 108 F 4.5918 8.0321 117.7588 60.9408 39.0189 177.7272 109 Q 4.0797 8.4658 117.6593 58.8245 28.3493 178.8649 110 E 3.9387 8.1863 120.3584 59.1309 29.7758 178.2930 111 L 4.0120 8.2951 120.4712 58.4178 41.9242 178.8421 112 L 3.9948 8.0419 117.4977 58.0065 41.6604 179.2890 113 R 4.0506 7.7262 117.3470 59.5199 30.3110 178.5108 114 R 4.1624 8.3152 117.8881 58.5423 29.7944 178.1962 115 L 4.3343 7.6340 117.4740 54.8782 41.9888 176.6095 116 E 4.2431 8.3537 126.4250 56.3499 29.8089 175.2997 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 A 8.26 4.22 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 3 S 8.20 4.53 0.00 3.95 3.71 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 L 8.75 3.82 0.00 1.76 1.62 0.80 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.13 4.03 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 6 R 7.94 3.86 0.00 1.93 2.09 0.00 3.30 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 7 A 7.99 4.26 1.61 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 0.00 0.00 8 V 8.32 3.44 2.22 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 1.11 0.00 0.00 0.86 0.00 0.00 9 E 8.12 3.94 0.00 2.14 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 0.00 2.34 2.38 0.00 10 R 8.02 4.07 0.00 2.33 2.16 0.00 3.33 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.87 0.00 11 L 7.64 3.94 0.00 1.64 1.86 0.94 0.59 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 12 K 8.27 3.84 0.00 1.99 1.98 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.49 7.81 13 A 8.04 3.98 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 14 A 7.67 4.06 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 15 L 7.76 4.16 0.00 1.82 1.71 0.83 0.46 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 E 8.06 4.14 0.00 2.09 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 2.59 0.00 17 R 7.24 4.06 0.00 1.84 1.92 0.00 3.22 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 18 P 0.00 4.30 0.00 2.19 2.09 0.00 3.80 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 19 K 8.52 4.12 0.00 1.69 1.66 0.00 0.92 0.00 0.00 1.39 0.00 0.00 2.13 0.00 0.00 2.19 0.00 0.00 0.00 0.00 1.20 1.14 7.81 20 D 7.91 4.35 0.00 2.93 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 21 E 8.05 3.71 0.00 1.82 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 1.98 1.47 0.00 22 F 7.60 4.17 0.00 3.29 3.20 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 23 I 8.29 3.81 1.94 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 1.61 1.26 1.04 0.00 0.00 24 R 8.47 4.08 0.00 1.76 2.09 0.00 3.03 0.00 0.00 3.10 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 25 D 8.83 4.48 0.00 2.73 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.54 4.30 0.00 4.15 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 0.00 27 A 8.19 4.08 1.44 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 28 I 7.82 3.73 2.14 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.78 1.00 0.00 0.00 29 Q 8.30 4.05 0.00 2.36 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.84 0.00 0.00 0.00 0.00 0.00 2.45 2.66 0.00 30 R 7.95 3.46 0.00 1.83 1.68 0.00 3.28 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.00 0.00 31 F 7.65 4.31 0.00 3.09 3.22 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 32 E 8.28 3.73 0.00 2.24 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 0.00 2.36 2.34 0.00 33 F 7.46 4.41 0.00 3.22 3.31 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 34 T 6.82 3.87 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 1.00 0.00 0.00 35 F 8.01 4.28 0.00 2.85 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.92 4.37 0.00 2.39 2.26 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 2.44 2.52 0.00 37 L 8.14 3.96 0.00 1.88 1.65 0.93 1.04 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 38 A 7.59 3.98 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 W 7.94 4.10 0.00 3.49 2.91 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 40 K 7.15 3.27 0.00 1.41 1.48 0.00 1.67 0.00 0.00 1.47 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.33 0.68 7.81 41 T 7.45 4.00 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 1.17 0.00 0.00 42 L 7.58 3.91 0.00 1.86 1.65 0.62 0.27 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 43 K 8.21 3.89 0.00 1.63 1.69 0.00 1.22 0.00 0.00 1.43 0.00 0.00 2.83 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.53 1.64 7.81 44 T 7.55 3.76 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 1.18 0.00 0.00 45 F 7.88 4.05 0.00 3.06 3.24 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 46 L 8.84 4.01 0.00 1.82 1.69 1.00 0.08 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 47 E 8.34 4.17 0.00 2.20 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 0.00 2.29 2.15 0.00 48 L 7.81 3.90 0.00 1.62 1.64 0.88 0.97 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 49 Q 7.47 4.01 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.93 0.00 0.00 0.00 0.00 0.00 1.55 1.99 0.00 50 G 8.03 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 51 L 7.59 4.84 0.00 1.64 1.56 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.45 4.67 0.00 1.85 1.76 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 2.19 2.28 0.00 53 A 8.44 4.64 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 54 R 8.94 4.42 0.00 1.84 2.04 0.00 3.25 0.00 0.00 3.32 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 55 S 7.61 4.65 0.00 3.85 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 56 P 0.00 3.77 0.00 1.86 1.71 0.00 3.14 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.44 0.00 57 R 7.79 3.84 0.00 1.86 1.90 0.00 3.21 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 58 A 7.88 4.04 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 59 A 8.41 3.97 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 60 I 7.73 3.23 1.92 0.00 0.00 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 1.15 1.05 0.51 0.00 0.00 61 R 8.49 4.11 0.00 1.89 2.20 0.00 3.13 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 62 G 8.42 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.72 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 7.53 4.67 0.00 3.27 3.09 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 0.00 0.00 0.00 0.00 65 Q 7.92 3.98 0.00 2.09 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 66 V 7.77 3.75 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 0.78 0.00 0.00 1.24 0.00 0.00 67 G 8.05 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 68 L 7.23 3.99 0.00 1.56 1.68 0.29 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.35 4.51 0.00 1.62 1.67 -0.17 0.99 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 70 P 0.00 4.66 0.00 2.24 2.11 0.00 3.98 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.06 0.00 71 E 8.49 3.04 0.00 1.78 1.82 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 2.15 2.10 0.00 72 D 7.36 4.52 0.00 2.90 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 73 P 0.00 4.59 0.00 2.32 2.31 0.00 3.80 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 2.16 1.98 0.00 74 F 9.44 4.26 0.00 3.09 3.17 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 0.00 0.00 0.00 75 W 8.08 4.13 0.00 3.58 3.33 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 76 L 8.01 4.35 0.00 1.94 1.77 1.08 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 77 E 7.56 4.01 0.00 1.74 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 2.25 2.21 0.00 *79 L 8.04 3.76 0.00 1.90 1.92 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 80 E 7.99 3.93 0.00 2.19 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 81 L 7.81 4.09 0.00 1.80 1.69 0.84 0.54 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 82 R 7.85 3.92 0.00 0.97 1.60 0.00 3.19 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.83 0.00 83 N 7.66 4.51 0.00 2.65 2.81 0.00 0.00 6.95 9.18 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 84 L 8.12 4.57 0.00 1.75 1.67 0.88 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 85 T 7.41 3.87 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 1.36 0.00 0.00 86 N 8.12 4.58 0.00 2.87 2.99 0.00 0.00 5.93 7.90 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 87 H 8.25 4.67 0.00 3.11 3.06 0.00 5.84 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 7.47 4.09 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 1.21 0.00 0.00 89 Y 7.60 4.09 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 90 D 7.08 4.65 0.00 2.52 2.40 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 91 E 8.69 3.95 0.00 2.02 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 2.36 2.36 0.00 92 A 8.00 4.02 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 93 L 9.08 3.83 0.00 1.68 1.86 0.87 0.66 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 A 7.63 3.97 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 95 E 8.18 3.91 0.00 2.13 1.98 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 2.39 2.40 0.00 96 R 7.48 3.90 0.00 1.90 2.13 0.00 3.23 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 97 I 8.07 3.73 1.97 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.81 0.75 0.00 0.00 98 Y 8.25 3.82 0.00 3.04 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 99 A 7.88 4.30 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 0.00 100 E 8.27 4.25 0.00 2.00 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 0.00 2.42 2.50 0.00 101 L 7.84 3.66 0.00 1.18 1.39 0.59 0.25 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 0.00 102 P 0.00 4.23 0.00 1.91 2.04 0.00 3.63 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.01 0.00 103 K 7.76 4.06 0.00 1.61 1.08 0.00 1.17 0.00 0.00 1.50 0.00 0.00 2.51 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.21 7.81 104 A 7.85 3.87 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 0.00 105 L 8.33 4.16 0.00 1.77 1.82 1.05 0.91 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 0.00 106 E 7.87 3.97 0.00 2.17 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 2.29 2.44 0.00 107 R 7.68 3.99 0.00 1.43 1.20 0.00 3.18 0.00 0.00 2.91 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 108 F 8.03 4.59 0.00 3.30 3.01 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 0.00 0.00 0.00 109 Q 8.47 4.08 0.00 2.39 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 110 E 8.19 3.94 0.00 2.33 2.28 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 2.43 2.48 0.00 111 L 8.30 4.01 0.00 2.21 2.16 0.77 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 112 L 8.04 3.99 0.00 1.90 1.76 0.96 1.21 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 0.00 113 R 7.73 4.05 0.00 2.03 2.16 0.00 3.28 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 114 R 8.32 4.16 0.00 1.99 1.88 0.00 3.17 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 115 L 7.63 4.33 0.00 1.58 1.62 0.85 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.35 4.24 0.00 1.92 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 2.21 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.