NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.5671 8.3149 120.0856 56.3996 33.5153 174.6663 6 I 4.4288 8.9112 126.3350 58.5424 40.8584 169.2747 7 V 4.7530 9.0932 126.3521 61.5154 34.1489 173.8859 8 L 5.0145 8.7021 128.0858 53.0732 44.0682 175.6819 9 K 4.4833 8.7198 124.7539 54.8081 32.8827 176.5480 10 S 4.6900 8.7062 120.9911 57.4149 64.0853 173.6270 11 S 4.5095 8.5662 114.2703 58.2122 63.0854 175.2356 12 D 4.2323 8.4204 117.9321 53.5595 39.5798 175.5932 13 G 3.9212 8.4591 107.5502 47.3109 0.0000 172.1451 14 E 4.5456 7.7456 119.9329 55.2220 32.8725 174.3501 15 S 4.6931 8.6219 120.6186 58.5363 64.2141 173.9991 16 F 4.5867 8.9110 121.4035 55.5242 42.1955 173.9217 17 E 4.3828 8.9373 126.0285 55.9550 29.9535 176.0677 18 V 4.6869 8.6023 119.9329 59.3114 36.4578 175.6626 19 E 4.3229 8.7092 122.3272 55.8713 29.2688 176.3934 20 E 3.8267 8.2950 118.6403 60.5151 29.1300 178.3449 21 A 4.1334 7.6836 123.0565 53.8895 19.1353 179.3524 22 V 3.6591 7.6318 116.9113 65.9101 31.9092 177.7380 23 A 4.1470 7.8320 119.3934 54.2323 17.9954 178.6700 24 L 4.1710 7.3580 115.2533 55.9483 42.0094 178.3723 25 E 4.2954 7.8260 118.4876 58.0201 29.6572 176.7713 26 S 4.3916 7.4996 113.9641 57.2301 62.0982 174.5798 27 Q 4.1065 8.5992 128.1389 58.6286 28.1799 178.7194 28 T 3.9718 7.7059 116.2875 66.3285 69.0845 176.2510 29 I 3.9401 7.6657 120.9371 63.1997 37.2033 178.3358 30 A 4.0498 7.9527 122.2400 55.3563 18.1737 178.9283 31 H 4.3828 8.0080 110.1979 57.0300 28.4314 175.5830 32 M 4.8227 7.5600 119.3743 55.3413 32.4117 176.6897 33 V 4.4132 7.6320 108.0223 60.9024 32.0172 176.8151 34 E 4.1766 7.4966 120.3438 58.8860 29.9089 177.4191 35 D 4.5419 8.3605 118.6579 56.4842 39.5022 178.0859 36 D 4.5162 6.8950 118.9342 57.3810 37.1208 175.3956 37 C 4.3555 8.3429 122.1531 60.6850 28.8585 175.8828 38 V 3.6882 7.7985 120.3212 65.3546 31.2765 177.1675 39 D 4.3866 8.2541 118.5449 57.2604 40.6388 177.1614 40 N 4.8371 8.1813 113.2850 52.4406 39.1227 173.8436 41 G 4.1253 8.1684 107.9491 45.1930 0.0000 174.4214 42 V 3.8266 8.4364 115.7916 60.4386 32.5578 173.9955 43 P 4.7524 0.0000 0.0000 62.1397 31.3271 175.6826 44 L 4.9683 8.8076 127.0564 51.8836 40.9978 174.3951 45 P 5.1897 0.0000 0.0000 63.7036 31.6978 177.0779 46 N 4.6784 8.2750 113.8615 53.2950 40.2031 174.2397 47 V 4.2666 7.3067 119.6438 60.8256 33.0215 175.0451 48 T 4.2642 8.3399 122.5384 61.8262 69.1455 174.4817 49 S 4.2328 8.7273 120.9878 60.6510 62.3964 176.3117 50 K 3.9895 8.1215 122.0876 59.5339 31.8871 178.7503 51 I 3.7732 7.6544 119.4211 64.3216 37.1983 177.6090 52 L 3.7800 8.0771 121.2670 58.2406 41.6976 178.6243 53 A 4.0365 7.7993 120.2972 55.5504 18.4271 179.7355 54 K 4.1381 7.8932 116.5255 59.6602 32.1141 179.8072 55 V 3.7412 8.0686 118.6084 66.1855 31.5107 178.2210 56 I 3.7638 8.0767 119.8376 64.1924 36.9212 177.8484 57 E 3.9661 8.4639 120.3082 59.5296 29.5180 178.3049 58 Y 3.9283 7.9452 119.1030 61.0178 38.8954 177.9529 59 C 4.0895 8.2850 117.6450 62.4045 27.9222 175.5915 60 K 3.6942 8.5105 121.7337 59.9395 31.4665 178.6931 61 R 3.5768 7.2394 116.5970 59.5033 29.9137 177.8735 62 H 4.0324 7.5883 115.1795 58.4806 29.0768 177.6042 63 V 3.7207 7.7192 120.1681 65.5193 31.0759 176.7340 64 E 4.3154 7.5191 115.9388 56.8422 29.0475 176.6845 65 A 4.5806 7.4893 118.9277 52.1172 18.9379 179.6525 66 A 3.8750 7.6691 121.9193 56.2283 18.8038 178.6203 67 A 3.9551 7.6981 122.7113 52.3623 18.4355 177.6142 68 S 4.2631 8.2643 118.5682 59.1334 64.1141 174.4277 *80 D 4.6713 8.5325 122.3712 54.5346 41.3402 177.5806 81 D 4.3556 8.0786 117.9694 57.4244 41.5150 177.5378 82 D 4.3720 8.0032 117.2054 56.0994 41.6601 178.5207 83 L 4.0156 7.8955 119.7926 57.8460 41.8723 179.3426 84 K 4.0827 8.2152 117.2979 59.0060 31.8937 178.9959 85 A 4.0324 7.4807 120.3634 54.7857 18.4592 179.1835 86 W 4.2160 8.3427 126.4236 60.7792 30.8940 177.6696 87 D 4.5168 9.1196 118.7838 57.7004 40.1664 178.6094 88 A 4.0255 7.7363 119.4207 55.5338 18.4050 178.8929 89 D 4.3364 8.2386 116.1683 57.0382 41.0471 178.2273 90 F 4.0116 8.0030 121.0844 60.8016 39.3910 176.1554 91 M 4.0368 7.5376 115.5237 55.1693 33.3293 177.1550 92 K 4.2568 7.2586 120.5355 56.4097 30.1854 174.6145 93 I 4.4787 6.8338 112.0942 58.2737 41.2794 175.6548 94 D 4.5842 7.9875 119.8033 52.5295 41.7068 176.6929 95 Q 3.3275 8.3818 118.6341 59.2343 28.4890 179.1147 96 A 3.8423 7.7519 120.7704 55.7280 18.3471 179.4798 97 T 3.9201 7.3959 113.1425 65.8309 68.9252 176.6037 98 L 3.7962 7.8140 122.7318 58.4346 42.0102 179.1709 99 F 4.5263 7.8629 117.5210 60.8714 38.9772 177.6198 100 E 4.0791 8.0902 117.8605 58.9352 29.1418 179.5083 101 L 4.0048 7.7263 119.1583 57.6624 41.6371 179.1021 102 I 3.6710 7.7152 119.7177 64.6722 37.1351 178.2397 103 L 3.9440 8.1457 119.2944 57.9961 41.3786 179.7570 104 A 4.1208 7.9856 120.0511 55.1474 18.4602 179.5659 105 A 3.9378 8.6643 119.6849 55.2695 18.1694 179.4164 106 N 4.3374 8.3278 115.2461 56.6632 39.1642 176.3684 107 Y 4.4539 8.0360 121.0721 62.1645 39.2544 176.3410 108 L 4.4051 8.0779 123.4138 54.3330 41.8244 178.9933 109 N 4.9637 8.3184 114.5233 53.8160 39.4782 176.0796 110 I 4.2668 7.8217 121.2564 59.3272 37.2292 177.0147 111 K 3.9808 8.5417 127.2127 59.2985 32.9133 177.8470 112 N 4.5162 8.4496 116.0053 56.5274 38.5314 176.8844 113 L 3.7526 7.5672 116.1673 54.8331 41.6197 176.6823 114 L 4.7217 7.5824 117.1314 54.3855 46.5769 177.2837 115 D 4.5216 7.9649 117.0997 56.1588 40.5969 177.7150 116 L 4.4697 7.7271 120.5543 56.9158 42.8724 178.2449 117 T 3.8201 7.6332 109.1807 65.0947 69.0203 176.0978 118 C 4.1357 7.9482 120.5023 62.4878 28.1421 176.1001 119 Q 4.0463 7.6392 120.9672 59.4942 28.3229 178.5514 120 T 3.8948 7.5878 116.0954 66.4239 68.7383 176.6433 121 V 3.8803 8.1364 120.0756 66.0709 31.6780 177.8646 122 A 4.0591 8.4582 120.9528 55.4531 17.9596 179.2792 123 D 4.4559 8.3451 116.4235 57.2793 40.8778 178.4246 124 M 4.2533 7.9794 119.0403 57.9903 32.1892 178.4600 125 I 4.0854 7.6941 119.6913 63.0545 37.4129 176.5274 126 K 3.9907 7.4294 118.8555 58.2673 32.1616 177.0082 127 G 4.0628 9.0238 112.6804 45.3423 0.0000 173.8256 128 K 4.3951 7.7987 118.7214 56.1223 32.8642 177.4328 129 T 4.3511 8.0837 111.7585 60.5384 71.1469 174.1145 130 P 4.2560 0.0000 0.0000 65.7096 31.1552 178.5816 131 E 3.9013 8.1145 117.5269 59.5043 29.7515 178.3184 132 E 3.9503 8.0460 118.0533 59.6322 27.9688 179.6890 133 I 3.8383 8.1636 120.1314 64.5492 37.2538 178.7350 134 R 4.3249 7.9732 116.2354 59.3163 29.3713 178.2909 135 T 3.9395 8.2990 117.7139 66.8706 68.1674 175.9099 136 T 4.2329 7.9659 109.9262 61.8228 69.6356 175.5156 137 F 4.7657 7.6404 114.0119 57.7390 43.9550 173.8787 138 N 4.1824 8.0606 118.3976 54.3140 36.9338 172.2629 139 I 4.5105 8.2734 118.7771 58.6131 40.3359 175.8553 140 K 4.0326 8.5861 125.1253 55.9514 32.9521 176.0475 141 N 4.2629 8.7610 122.9780 54.2465 37.8841 172.9738 142 D 4.7594 8.0557 124.2498 52.8776 39.9019 176.5121 143 F 4.7414 8.3513 119.6358 57.5286 39.7353 176.4865 144 T 4.1253 8.6936 116.3233 61.2943 70.5675 173.9168 145 P 4.3056 0.0000 0.0000 65.6244 31.3031 178.9487 146 E 3.9235 8.1335 117.1966 59.3600 29.3594 178.7750 147 E 3.8791 7.8811 118.6282 59.5900 29.6089 178.9115 148 E 3.2087 8.0368 119.0113 59.2014 29.5637 178.6963 149 E 3.7342 7.9433 119.1867 58.9372 29.6878 178.1472 150 E 3.7395 8.3057 119.7999 59.3805 29.6282 178.9624 151 V 3.4730 7.7259 118.2822 65.8615 31.5288 177.8818 152 R 3.6741 7.8024 118.3145 59.3935 29.9012 178.5010 153 R 2.7877 7.8803 118.0665 59.0211 29.9052 178.8092 154 E 3.7225 8.2303 118.4398 59.6086 29.2826 179.3373 155 N 4.3949 8.2829 115.3980 55.6575 38.6013 176.5311 156 Q 4.4531 7.6634 117.5344 56.2364 30.2160 177.0989 157 W 4.8346 8.3316 118.6299 57.2351 29.9019 175.7053 158 A 4.3190 7.8074 117.4550 52.5406 20.6575 175.4790 159 F 4.9491 8.1030 114.6906 57.3663 40.3969 176.0417 160 E 4.3138 9.1605 125.6059 56.3537 29.9610 174.4508 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 5 K 8.31 4.57 0.00 1.66 1.99 0.00 1.66 0.00 0.00 1.91 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 6 I 8.91 4.43 1.88 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 1.12 0.82 0.92 0.00 0.00 7 V 9.09 4.75 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 1.13 0.00 0.00 0.95 0.00 0.00 8 L 8.70 5.01 0.00 1.69 1.55 0.89 0.53 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 9 K 8.72 4.48 0.00 1.78 1.82 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.42 7.81 10 S 8.71 4.69 0.00 3.94 4.17 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 11 S 8.57 4.51 0.00 4.18 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 12 D 8.42 4.23 0.00 2.82 2.75 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 13 G 8.46 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 14 E 7.75 4.55 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 2.50 0.00 15 S 8.62 4.69 0.00 3.73 3.82 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 0.00 0.00 0.00 16 F 8.91 4.59 0.00 3.19 2.96 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 0.00 0.00 0.00 17 E 8.94 4.38 0.00 1.97 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 2.42 0.00 18 V 8.60 4.69 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 0.77 0.00 0.00 1.02 0.00 0.00 19 E 8.71 4.32 0.00 2.06 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 0.00 2.39 2.36 0.00 20 E 8.29 3.83 0.00 2.06 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 2.37 2.45 0.00 21 A 7.68 4.13 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 22 V 7.63 3.66 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 1.05 0.00 0.00 0.93 0.00 0.00 23 A 7.83 4.15 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 24 L 7.36 4.17 0.00 1.64 1.71 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.83 4.30 0.00 2.06 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 0.00 2.35 2.47 0.00 26 S 7.50 4.39 0.00 3.96 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 27 Q 8.60 4.11 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 28 T 7.71 3.97 4.09 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 1.08 0.00 0.00 29 I 7.67 3.94 2.03 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 1.36 0.77 0.89 0.00 0.00 30 A 7.95 4.05 1.24 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 0.00 0.00 31 H 8.01 4.38 0.00 3.22 3.34 0.00 5.60 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 M 7.56 4.82 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 33 V 7.63 4.41 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 0.82 0.00 0.00 1.03 0.00 0.00 34 E 7.50 4.18 0.00 1.97 1.91 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 2.32 2.27 0.00 35 D 8.36 4.54 0.00 2.77 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 36 D 6.89 4.52 0.00 2.85 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 37 C 8.34 4.36 0.00 3.02 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 38 V 7.80 3.69 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 1.09 0.00 0.00 0.93 0.00 0.00 39 D 8.25 4.39 0.00 2.69 2.75 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 40 N 8.18 4.84 0.00 2.71 2.80 0.00 0.00 7.09 7.06 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 41 G 8.17 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 42 V 8.44 3.83 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 0.77 0.00 0.00 0.92 0.00 0.00 43 P 0.00 4.75 0.00 2.11 2.13 0.00 3.71 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 44 L 8.81 4.97 0.00 1.87 1.79 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 5.19 0.00 2.20 2.20 0.00 3.60 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.15 0.00 46 N 8.27 4.68 0.00 1.55 1.95 0.00 0.00 6.90 7.68 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 47 V 7.31 4.27 2.13 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 1.04 0.00 0.00 1.29 0.00 0.00 48 T 8.34 4.26 4.25 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 1.29 0.00 0.00 49 S 8.73 4.23 0.00 4.44 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 50 K 8.12 3.99 0.00 1.91 1.83 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.58 7.81 51 I 7.65 3.77 2.01 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 1.53 0.69 0.93 0.00 0.00 52 L 8.08 3.78 0.00 1.65 1.42 0.75 0.93 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 53 A 7.80 4.04 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.89 4.14 0.00 2.05 2.13 0.00 1.66 0.00 0.00 1.50 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.69 1.56 7.81 55 V 8.07 3.74 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 1.08 0.00 0.00 1.00 0.00 0.00 56 I 8.08 3.76 2.04 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.62 0.97 0.00 0.00 57 E 8.46 3.97 0.00 2.20 2.33 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 2.70 2.57 0.00 58 Y 7.95 3.93 0.00 2.87 3.16 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 0.00 0.00 0.00 59 C 8.29 4.09 0.00 3.07 2.97 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 60 K 8.51 3.69 0.00 1.95 1.90 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.42 7.81 61 R 7.24 3.58 0.00 0.88 1.46 0.00 2.56 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.08 0.00 62 H 7.59 4.03 0.00 2.90 3.18 0.00 5.91 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 63 V 7.72 3.72 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 0.98 0.00 0.00 0.93 0.00 0.00 64 E 7.52 4.32 0.00 2.01 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 2.24 2.25 0.00 65 A 7.49 4.58 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 66 A 7.67 3.87 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 67 A 7.70 3.96 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 68 S 8.26 4.26 0.00 3.86 3.78 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 *80 D 8.53 4.67 0.00 2.73 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 81 D 8.08 4.36 0.00 2.76 2.67 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 0.00 0.00 0.00 0.00 82 D 8.00 4.37 0.00 2.74 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 83 L 7.90 4.02 0.00 1.92 1.74 0.77 0.66 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 84 K 8.22 4.08 0.00 1.85 1.93 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.57 7.81 85 A 7.48 4.03 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 86 W 8.34 4.22 0.00 3.48 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 87 D 9.12 4.52 0.00 2.98 2.89 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 0.00 0.00 0.00 88 A 7.74 4.03 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 89 D 8.24 4.34 0.00 2.92 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 90 F 8.00 4.01 0.00 2.10 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 91 M 7.54 4.04 0.00 1.97 2.15 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.79 0.00 92 K 7.26 4.26 0.00 1.81 1.72 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.48 7.81 93 I 6.83 4.48 1.69 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.46 0.69 0.00 0.00 94 D 7.99 4.58 0.00 2.77 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 95 Q 8.38 3.33 0.00 1.88 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 96 A 7.75 3.84 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 97 T 7.40 3.92 4.38 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 0.00 0.00 0.00 1.08 0.00 0.00 98 L 7.81 3.80 0.00 1.59 1.42 0.83 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 99 F 7.86 4.53 0.00 3.05 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 0.00 100 E 8.09 4.08 0.00 2.10 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 2.54 2.50 0.00 101 L 7.73 4.00 0.00 1.92 1.65 0.65 0.55 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 0.00 102 I 7.72 3.67 2.09 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 1.55 0.92 0.91 0.00 0.00 103 L 8.15 3.94 0.00 1.85 1.73 0.93 0.73 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 0.00 104 A 7.99 4.12 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.66 3.94 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 0.00 106 N 8.33 4.34 0.00 2.85 2.90 0.00 0.00 7.17 8.40 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 0.00 107 Y 8.04 4.45 0.00 3.12 3.13 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 0.00 108 L 8.08 4.41 0.00 1.63 1.38 0.89 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.32 4.96 0.00 2.62 2.75 0.00 0.00 6.74 7.94 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 0.00 110 I 7.82 4.27 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 1.21 1.30 1.05 0.00 0.00 111 K 8.54 3.98 0.00 1.73 1.87 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.48 7.81 112 N 8.45 4.52 0.00 3.05 2.96 0.00 0.00 6.78 6.74 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 0.00 113 L 7.57 3.75 0.00 1.26 1.69 0.14 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.58 4.72 0.00 1.68 1.55 0.92 1.44 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 0.00 115 D 7.96 4.52 0.00 2.94 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 0.00 116 L 7.73 4.47 0.00 1.85 1.69 0.99 0.98 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 0.00 117 T 7.63 3.82 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 1.12 0.00 0.00 118 C 7.95 4.14 0.00 3.21 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 0.00 119 Q 7.64 4.05 0.00 2.40 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 120 T 7.59 3.89 4.45 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 1.20 0.00 0.00 121 V 8.14 3.88 2.30 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 1.23 0.00 0.00 1.23 0.00 0.00 122 A 8.46 4.06 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 0.00 123 D 8.35 4.46 0.00 2.88 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 0.00 124 M 7.98 4.25 0.00 1.94 2.49 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.53 0.00 125 I 7.69 4.09 2.03 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 1.98 1.03 0.97 0.00 0.00 126 K 7.43 3.99 0.00 1.79 1.80 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.58 7.81 127 G 9.02 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 0.00 128 K 7.80 4.40 0.00 1.90 1.78 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.63 7.81 129 T 8.08 4.35 4.25 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 1.27 0.00 0.00 130 P 0.00 4.26 0.00 2.21 2.20 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 131 E 8.11 3.90 0.00 2.09 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 2.39 2.48 0.00 132 E 8.05 3.95 0.00 2.20 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 2.34 2.38 0.00 133 I 8.16 3.84 2.09 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.15 1.09 0.00 0.00 134 R 7.97 4.32 0.00 2.20 2.23 0.00 2.95 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.78 0.00 135 T 8.30 3.94 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 1.20 0.00 0.00 136 T 7.97 4.23 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 1.18 0.00 0.00 137 F 7.64 4.77 0.00 3.20 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 0.00 138 N 8.06 4.18 0.00 2.84 2.85 0.00 0.00 6.91 7.36 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 0.00 139 I 8.27 4.51 1.89 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.90 0.86 0.00 0.00 140 K 8.59 4.03 0.00 1.84 1.82 0.00 1.55 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.37 7.81 141 N 8.76 4.26 0.00 2.74 2.86 0.00 0.00 7.18 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 D 8.06 4.76 0.00 2.71 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 F 8.35 4.74 0.00 3.22 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 0.00 144 T 8.69 4.13 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 1.25 0.00 0.00 145 P 0.00 4.31 0.00 2.18 2.14 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 146 E 8.13 3.92 0.00 2.05 1.99 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 2.40 2.46 0.00 147 E 7.88 3.88 0.00 2.25 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 2.38 0.00 148 E 8.04 3.21 0.00 1.91 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 2.17 2.05 0.00 149 E 7.94 3.73 0.00 2.10 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 2.15 2.18 0.00 150 E 8.31 3.74 0.00 2.13 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 2.27 2.30 0.00 151 V 7.73 3.47 1.72 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 0.89 0.00 0.00 0.79 0.00 0.00 152 R 7.80 3.67 0.00 1.87 1.81 0.00 3.02 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 153 R 7.88 2.79 0.00 1.69 1.45 0.00 3.08 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.56 0.00 154 E 8.23 3.72 0.00 2.18 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 2.32 2.42 0.00 155 N 8.28 4.39 0.00 2.79 2.85 0.00 0.00 6.99 7.27 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 0.00 156 Q 7.66 4.45 0.00 1.89 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 157 W 8.33 4.83 0.00 3.35 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 0.00 158 A 7.81 4.32 0.44 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 0.00 159 F 8.10 4.95 0.00 3.07 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 0.00 160 E 9.16 4.31 0.00 2.05 2.33 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 2.16 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.