NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 3.9194 8.2893 120.2527 55.5956 33.2237 174.2338 2 N 4.4832 7.2549 118.8326 49.9437 41.0961 173.6456 3 I 3.6274 9.1610 120.8200 64.3566 38.3218 178.7899 4 F 3.7418 8.2731 117.7698 60.6316 38.6936 177.1478 5 E 3.9956 10.7390 117.9251 59.6937 28.7868 178.9685 6 M 3.6945 8.1819 118.3550 58.9545 32.2378 178.4669 7 L 3.8050 7.8208 118.1595 57.3979 41.4795 178.7025 8 R 3.7611 7.9476 118.7368 59.8919 29.6278 177.9218 9 I 3.7622 7.5138 118.7737 65.3253 37.4330 177.8609 10 D 4.5474 7.7981 118.2549 56.8100 40.9975 177.8778 11 E 4.3997 8.4651 117.5832 54.6936 29.8721 176.9427 12 G 3.9015 7.4030 110.2089 44.4174 0.0000 172.5135 13 L 4.8979 8.0381 119.1150 53.0733 44.5971 175.7346 14 R 4.5794 8.3925 122.6337 54.8429 34.1805 175.6068 15 L 4.6499 8.6107 119.9794 54.2275 42.5460 176.8876 16 K 4.6920 7.5372 115.3542 54.2873 35.0514 175.8436 17 I 4.7508 6.9579 114.7480 60.1669 39.0929 173.0061 18 Y 4.9735 7.8619 119.1491 56.1539 41.9872 174.1792 19 K 4.2882 8.4484 120.9080 55.7774 34.0210 175.4783 20 D 5.0455 7.9090 120.5373 51.6737 44.2556 174.7166 21 T 4.0987 8.4626 111.7306 61.2204 69.0905 173.5716 22 E 3.6140 8.6842 125.4259 56.4548 29.9511 176.7275 23 G 3.7919 8.2542 115.3640 44.1231 0.0000 171.9088 24 Y 4.6303 7.8995 122.6217 56.0638 42.1086 173.9588 25 Y 5.0752 8.6186 120.3293 57.0980 40.2056 174.8546 26 T 5.6264 8.6578 119.7285 61.4154 73.7538 173.1295 27 I 4.6373 8.3521 115.0724 60.3557 41.2754 176.6457 28 G 3.7712 8.3807 113.1664 47.1116 0.0000 176.2096 29 I 4.1501 8.4268 130.0166 59.6349 37.7936 174.9526 30 G 4.0866 8.7086 111.9094 45.4020 0.0000 171.8642 31 Y 4.1154 7.8077 120.8690 57.2851 39.5505 174.5649 32 T 5.0269 6.3622 120.5252 60.8812 71.6194 173.5872 *44 S 4.3303 8.0656 116.8579 58.3419 63.5649 174.2363 45 L 3.1371 8.1389 123.7080 57.2327 42.1794 178.1939 46 N 4.1350 7.9893 115.7091 56.2019 38.4962 176.9548 47 A 3.8950 7.8884 121.2286 55.1000 18.6400 178.9075 48 A 3.8583 7.3461 118.3158 56.0522 18.3240 179.8106 49 K 3.9793 8.4621 117.9228 59.6894 32.4466 177.9868 50 S 4.0866 8.0029 115.0827 62.1712 62.8536 176.7091 51 E 4.1224 8.2731 120.6672 60.3452 29.2142 178.3680 52 L 4.0725 8.4182 120.1499 56.2655 41.8024 179.0638 53 D 4.6404 8.2709 119.3365 58.0363 41.0506 179.2738 54 K 3.9328 8.3232 119.0408 59.4732 32.3983 178.4013 55 A 4.1164 8.2752 121.1954 54.7952 18.3199 178.9001 56 I 3.9925 8.0523 116.7794 63.2489 38.4167 176.7055 57 G 4.2017 9.3031 107.7723 44.7847 0.0000 173.0417 58 R 4.4153 7.5122 113.0411 54.7105 31.4774 173.6856 59 N 5.0218 8.5447 117.3891 54.3616 39.3406 174.9533 60 T 4.4699 8.3115 113.0526 61.6621 71.0474 173.4061 61 N 4.4378 8.5502 117.4013 55.2578 36.7551 173.3963 62 G 4.0672 8.1453 101.5213 45.3124 0.0000 173.7928 63 V 4.9072 7.3303 117.8876 61.1747 34.8461 173.5127 64 I 4.9475 8.5354 121.3315 58.8491 40.2327 175.4173 65 T 4.0237 8.4161 114.6438 61.6237 69.2113 174.7291 66 K 4.0020 8.9163 122.7007 60.0393 31.9889 178.3759 67 D 4.5264 8.1041 118.3380 57.6349 40.5399 178.5038 68 E 3.9259 8.1894 118.3064 59.1572 29.2648 179.4230 69 A 4.1107 8.0971 121.0160 55.0838 18.6160 179.3915 70 E 4.2754 8.1010 115.8809 58.4655 29.5822 179.3107 71 K 3.9813 8.4056 120.8305 59.4532 32.4665 178.5986 72 L 4.0552 7.5590 117.9345 57.7467 41.5001 179.2718 73 F 4.5822 8.6493 120.6849 61.6433 39.1952 176.4182 74 N 4.2286 7.8233 115.1718 57.7411 38.8679 175.8717 75 Q 4.0278 8.3478 118.9349 58.3601 28.5571 178.2558 76 D 4.5454 8.8375 119.4779 58.1199 41.5387 179.5008 77 V 3.7156 8.2729 118.2579 66.6841 31.3633 177.8172 78 D 4.4530 8.5470 118.1304 56.8176 40.4988 178.6958 79 A 3.9981 7.9534 121.0566 55.1438 18.2846 178.7591 80 A 4.2878 8.1240 118.3368 55.5461 18.7240 179.3863 81 V 3.7155 7.8042 115.2488 66.6133 31.4757 178.6111 82 R 3.9920 8.2004 117.3828 59.2514 29.4257 179.0926 83 G 3.7845 9.0058 106.6419 47.9850 0.0000 175.7912 84 I 3.6269 7.7577 121.6780 64.1970 37.0429 177.8690 85 L 4.2597 7.2694 115.9061 55.6255 41.6895 178.4415 86 R 4.1770 7.3346 118.1061 56.5429 31.1186 176.0077 87 N 4.7656 7.5971 117.0309 52.0431 40.5010 175.5577 88 A 4.1667 8.5278 127.2022 55.0510 19.0109 179.3234 89 K 4.1957 8.0303 113.0104 58.5821 32.9465 178.9746 90 L 4.3285 9.3888 120.4453 57.1516 41.9820 178.7587 91 K 4.0124 7.6217 118.1175 59.0363 31.7936 176.8320 92 P 4.2461 0.0000 0.0000 66.5644 31.6528 178.1322 93 V 3.9482 8.3363 114.8230 66.6464 29.8543 177.9279 94 Y 3.7543 9.2070 117.0280 60.4296 39.4816 178.4068 95 D 4.8332 8.6121 121.5171 58.1287 41.2368 178.0399 96 S 4.1714 8.9659 114.6584 59.7625 62.1553 175.2274 97 L 4.3605 7.2704 122.1051 55.2125 42.4152 176.0073 98 D 4.7750 8.0504 118.6416 51.5375 41.7834 176.9722 99 A 3.6432 8.3471 119.9379 55.2511 17.8762 180.0311 100 V 2.8345 7.4269 116.3120 64.5640 32.0015 178.4839 101 R 3.6857 7.5990 118.5630 58.5164 29.8311 178.8177 102 R 3.5761 8.4911 119.5987 59.4162 30.0280 178.3007 103 A 3.9172 7.5124 120.1475 54.9875 17.9173 179.5789 104 A 3.4293 7.5379 119.0319 54.9784 18.4955 178.8823 105 L 4.2689 7.8415 118.2400 58.7695 42.0352 178.9598 106 I 3.7417 7.6485 119.1977 64.7165 36.7794 177.6381 107 N 4.3479 8.4859 117.9423 57.2582 38.5101 176.7583 108 M 3.8896 8.1985 119.9223 58.2818 32.0856 178.8641 109 V 3.5699 7.7734 117.9104 65.9988 31.6419 177.5109 110 F 4.2009 8.7458 119.0135 60.1841 39.1233 175.3028 111 Q 4.3995 7.4309 116.0727 58.1959 30.4910 176.6583 112 M 4.1917 8.0926 118.0362 57.8459 33.0602 176.3027 113 G 4.0759 7.8185 105.5152 44.0538 0.0000 175.1980 114 E 3.7589 8.3782 124.7962 58.7589 30.8367 179.0645 115 T 4.2418 8.0368 109.4771 64.0372 69.4193 176.5570 116 G 3.7876 8.0610 108.9081 48.0053 0.0000 175.5627 117 V 4.0270 7.7444 119.3081 64.7803 31.4827 177.6154 118 A 4.1509 7.8638 120.0981 54.9493 18.1658 179.4618 119 G 3.4912 7.3331 102.4943 47.1958 0.0000 175.0799 120 F 4.7059 7.9371 122.1349 56.6836 37.8041 176.7655 121 T 4.2452 8.0460 114.0538 65.7861 68.8979 174.7056 122 N 4.3955 8.1979 119.4576 55.5379 38.5400 177.0639 123 S 4.1554 8.1817 115.6491 62.0822 62.7913 176.9453 124 L 3.9543 8.6809 121.5387 57.7377 41.5828 179.3588 125 R 4.0114 8.4852 118.9100 59.7351 30.1705 178.4751 126 M 4.0675 8.0154 117.6502 57.8851 31.7051 177.8514 127 L 4.4164 7.3486 117.3062 55.9756 42.0723 178.4624 128 Q 4.4026 8.0715 122.2688 58.2634 29.1022 177.1525 129 Q 4.0621 7.6127 114.2905 56.2288 28.6806 176.4923 130 K 2.0000 7.0634 116.2762 56.6060 29.7800 176.7688 131 R 3.9086 6.9710 120.3553 54.5255 29.4651 176.4955 132 W 5.1090 7.8884 124.0373 55.3432 27.4218 175.3697 133 D 4.7269 7.4092 121.5416 56.3340 42.1109 178.0884 134 E 3.8740 8.0412 117.9344 59.9304 29.5313 179.6116 135 A 4.1304 7.4410 117.3395 54.2482 18.5771 179.0584 136 A 4.1534 8.3235 119.3068 54.8963 18.6802 179.5491 137 V 3.6409 7.5653 116.9114 65.7849 31.7637 177.5370 138 N 4.2711 8.3103 115.8108 56.6737 38.4072 177.1806 139 L 3.8452 7.3885 118.1318 57.6930 41.7530 178.1167 140 A 4.0301 7.6669 118.8652 51.9555 18.8343 177.8318 141 K 4.6086 8.0725 116.0521 56.6112 32.0990 174.5844 142 S 5.1190 7.7819 114.7456 57.2363 66.0416 174.3512 143 R 4.6270 8.7156 118.5872 56.3438 30.9162 176.4976 144 W 4.5843 8.4691 127.2958 61.1806 31.4576 177.5256 145 Y 3.5651 8.2067 118.7254 59.9998 38.4218 176.8730 146 N 4.5154 8.0805 115.3499 54.3021 39.1147 175.1814 147 Q 4.5327 7.3912 115.9707 55.9668 30.3970 175.9252 148 T 4.4845 7.2775 107.1351 59.1095 68.6133 173.5288 149 P 3.4843 0.0000 0.0000 66.6748 31.7500 176.4773 150 N 3.7435 8.2330 112.6213 57.5144 36.6010 176.6757 151 R 3.7678 7.7024 118.5752 58.5316 30.7334 178.5085 152 A 3.2546 7.3485 120.2255 54.9984 18.0322 179.8006 153 K 3.9843 7.6115 116.3964 59.7705 32.0924 179.6039 154 R 3.8844 7.8333 117.6966 59.1679 30.1149 178.7402 155 V 3.6447 7.9398 117.7705 66.3950 31.4930 177.8632 156 I 3.9996 8.1916 119.3808 65.1684 37.0680 178.3419 157 T 4.0456 8.1754 112.8506 64.7414 67.2357 176.5907 158 T 3.8075 8.3411 118.6262 66.7604 68.2703 176.6246 159 F 4.1557 8.2719 118.8321 60.4580 38.8624 177.4887 160 R 4.0999 8.1338 118.5926 59.5472 30.0812 178.3657 161 T 4.0285 7.9391 109.5220 63.8009 69.0224 175.7645 162 G 3.5918 7.8838 107.8107 44.9459 0.0000 172.6813 163 T 4.5829 8.5639 110.4288 59.6980 71.3572 173.7142 164 W 4.9695 8.5919 120.3741 56.8570 30.2980 176.7464 165 D 4.4606 8.1896 119.5452 56.7532 40.5378 177.8136 166 A 4.1155 8.1575 120.6789 53.5090 19.0251 176.5219 167 Y 4.3664 8.5572 113.8117 56.3587 38.2017 175.8158 168 K 4.1728 8.4174 124.9089 56.2886 32.4969 175.7525 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 M 8.29 3.92 0.00 0.51 1.34 0.00 0.00 0.00 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.86 0.00 2 N 7.25 4.48 0.00 3.12 2.79 0.00 0.00 5.57 6.69 0.00 0.00 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 I 9.16 3.63 1.85 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.78 0.82 0.00 0.00 4 F 8.27 3.74 0.00 3.18 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 5 E 10.74 4.00 0.00 2.12 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 2.33 2.32 0.00 6 M 8.18 3.69 0.00 2.11 1.96 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 2.35 0.00 7 L 7.82 3.80 0.00 1.79 1.45 0.17 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 8 R 7.95 3.76 0.00 2.07 2.22 0.00 3.17 0.00 0.00 3.25 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 9 I 7.51 3.76 2.29 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.29 0.93 0.00 0.00 10 D 7.80 4.55 0.00 2.58 2.84 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 11 E 8.47 4.40 0.00 1.92 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 2.38 2.73 0.00 12 G 7.40 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 0.00 0.00 0.00 13 L 8.04 4.90 0.00 1.50 1.47 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.39 4.58 0.00 1.67 1.45 0.00 2.21 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.29 0.00 15 L 8.61 4.65 0.00 1.69 1.83 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.54 4.69 0.00 2.01 1.80 0.00 1.34 0.00 0.00 0.87 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.52 7.81 17 I 6.96 4.75 2.10 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.40 1.01 0.00 0.00 18 Y 7.86 4.97 0.00 2.94 2.85 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 0.00 0.00 0.00 19 K 8.45 4.29 0.00 1.77 1.72 0.00 1.43 0.00 0.00 1.57 0.00 0.00 2.67 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 1.32 7.81 20 D 7.91 5.05 0.00 2.78 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.46 4.10 4.28 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 1.24 0.00 0.00 22 E 8.68 3.61 0.00 1.96 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 2.41 0.00 23 G 8.25 3.79 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 0.00 0.00 0.00 24 Y 7.90 4.63 0.00 3.32 2.80 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 25 Y 8.62 5.08 0.00 3.07 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 26 T 8.66 5.63 4.31 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 1.30 0.00 0.00 27 I 8.35 4.64 1.88 0.00 0.00 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 1.35 0.69 0.96 0.00 0.00 28 G 8.38 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 0.00 0.00 0.00 29 I 8.43 4.15 1.18 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 1.28 0.79 0.07 0.00 0.00 30 G 8.71 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 0.00 0.00 0.00 0.00 31 Y 7.81 4.12 0.00 3.18 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 32 T 6.36 5.03 3.94 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 1.19 0.00 0.00 *44 S 8.07 4.33 0.00 3.90 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 45 L 8.14 3.14 0.00 1.58 1.52 0.54 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 46 N 7.99 4.14 0.00 2.73 2.82 0.00 0.00 7.00 8.05 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 47 A 7.89 3.90 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 48 A 7.35 3.86 0.99 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 49 K 8.46 3.98 0.00 1.72 1.98 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.70 7.81 50 S 8.00 4.09 0.00 4.13 3.93 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 51 E 8.27 4.12 0.00 2.24 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 0.00 2.38 2.54 0.00 52 L 8.42 4.07 0.00 1.72 1.72 0.88 1.21 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 53 D 8.27 4.64 0.00 2.98 2.68 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 0.00 0.00 0.00 0.00 54 K 8.32 3.93 0.00 1.78 1.98 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.47 7.81 55 A 8.28 4.12 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 56 I 8.05 3.99 1.86 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 1.42 0.74 0.99 0.00 0.00 57 G 9.30 4.20 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 0.00 0.00 0.00 58 R 7.51 4.42 0.00 1.94 1.97 0.00 2.97 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 59 N 8.54 5.02 0.00 2.68 2.76 0.00 0.00 7.06 7.70 0.00 0.00 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 T 8.31 4.47 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 1.24 0.00 0.00 61 N 8.55 4.44 0.00 2.88 2.91 0.00 0.00 7.06 7.98 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 62 G 8.15 4.07 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 0.00 63 V 7.33 4.91 2.10 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 0.79 0.00 0.00 0.96 0.00 0.00 64 I 8.54 4.95 1.93 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 1.25 0.71 0.91 0.00 0.00 65 T 8.42 4.02 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 1.32 0.00 0.00 66 K 8.92 4.00 0.00 1.85 1.87 0.00 1.74 0.00 0.00 1.83 0.00 0.00 3.13 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.57 7.81 67 D 8.10 4.53 0.00 2.73 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 68 E 8.19 3.93 0.00 2.21 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 2.33 2.34 0.00 69 A 8.10 4.11 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 70 E 8.10 4.28 0.00 2.22 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 2.60 2.62 0.00 71 K 8.41 3.98 0.00 1.83 1.81 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.51 7.81 72 L 7.56 4.06 0.00 1.95 1.65 0.68 0.80 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 73 F 8.65 4.58 0.00 3.21 3.18 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 74 N 7.82 4.23 0.00 2.90 3.06 0.00 0.00 7.37 7.97 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 75 Q 8.35 4.03 0.00 2.50 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.44 0.00 0.00 0.00 0.00 0.00 2.45 2.76 0.00 76 D 8.84 4.55 0.00 3.25 2.84 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 77 V 8.27 3.72 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 0.58 0.00 0.00 0.60 0.00 0.00 78 D 8.55 4.45 0.00 3.06 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 79 A 7.95 4.00 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 80 A 8.12 4.29 1.53 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 0.00 0.00 81 V 7.80 3.72 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 0.98 0.00 0.00 0.99 0.00 0.00 82 R 8.20 3.99 0.00 2.18 1.97 0.00 3.20 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 83 G 9.01 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 0.00 0.00 0.00 84 I 7.76 3.63 1.89 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.97 0.68 0.00 0.00 85 L 7.27 4.26 0.00 1.47 1.59 0.74 0.82 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 86 R 7.33 4.18 0.00 1.86 1.96 0.00 3.14 0.00 0.00 3.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 87 N 7.60 4.77 0.00 2.79 2.81 0.00 0.00 6.95 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 88 A 8.53 4.17 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 K 8.03 4.20 0.00 1.77 1.89 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.45 7.81 90 L 9.39 4.33 0.00 1.64 1.78 0.99 0.77 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 91 K 7.62 4.01 0.00 2.12 1.83 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.60 1.39 7.81 92 P 0.00 4.25 0.00 2.09 2.12 0.00 3.79 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 2.10 2.16 0.00 93 V 8.34 3.95 2.36 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 1.22 0.00 0.00 1.00 0.00 0.00 94 Y 9.21 3.75 0.00 3.29 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 95 D 8.61 4.83 0.00 2.79 2.82 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 96 S 8.97 4.17 0.00 3.89 4.03 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 97 L 7.27 4.36 0.00 1.62 1.61 1.00 1.41 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 98 D 8.05 4.77 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 99 A 8.35 3.64 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 0.00 100 V 7.43 2.83 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 -0.62 0.00 0.00 101 R 7.60 3.69 0.00 1.84 1.93 0.00 2.35 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 1.21 1.46 0.00 102 R 8.49 3.58 0.00 1.74 1.82 0.00 2.93 0.00 0.00 2.60 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.70 0.00 103 A 7.51 3.92 1.20 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 0.00 0.00 104 A 7.54 3.43 -0.42 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 0.00 105 L 7.84 4.27 0.00 1.98 1.89 1.05 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.65 3.74 2.00 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 1.44 0.41 0.89 0.00 0.00 107 N 8.49 4.35 0.00 2.89 3.05 0.00 0.00 7.31 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 0.00 108 M 8.20 3.89 0.00 1.86 2.23 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.32 0.00 109 V 7.77 3.57 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 1.09 0.00 0.00 0.99 0.00 0.00 110 F 8.75 4.20 0.00 3.08 3.25 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 0.00 111 Q 7.43 4.40 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.66 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 112 M 8.09 4.19 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 113 G 7.82 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 0.00 0.00 0.00 114 E 8.38 3.76 0.00 1.95 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 2.28 2.50 0.00 115 T 8.04 4.24 4.20 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 1.19 0.00 0.00 116 G 8.06 3.79 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 0.00 0.00 0.00 117 V 7.74 4.03 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 0.91 0.00 0.00 118 A 7.86 4.15 1.36 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 0.00 0.00 119 G 7.33 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 7.94 4.71 0.00 3.19 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 0.00 121 T 8.05 4.25 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 1.20 0.00 0.00 122 N 8.20 4.40 0.00 2.79 2.88 0.00 0.00 6.98 7.57 0.00 0.00 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 S 8.18 4.16 0.00 3.91 3.86 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 0.00 0.00 0.00 124 L 8.68 3.95 0.00 1.67 1.74 1.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.49 4.01 0.00 1.81 1.97 0.00 3.07 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 126 M 8.02 4.07 0.00 2.15 2.07 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 2.66 2.54 0.00 127 L 7.35 4.42 0.00 1.73 1.79 0.38 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 8.07 4.40 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 129 Q 7.61 4.06 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.33 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 130 K 7.06 2.00 0.00 1.52 1.41 0.00 1.52 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.44 7.81 131 R 6.97 3.91 0.00 1.77 1.69 0.00 3.13 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.75 0.00 132 W 7.89 5.11 0.00 3.39 4.12 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 0.00 133 D 7.41 4.73 0.00 2.80 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.04 3.87 0.00 1.96 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 2.39 2.37 0.00 135 A 7.44 4.13 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 0.00 136 A 8.32 4.15 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 0.00 137 V 7.57 3.64 2.15 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 1.11 0.00 0.00 1.02 0.00 0.00 138 N 8.31 4.27 0.00 2.82 2.89 0.00 0.00 7.13 6.52 0.00 0.00 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 L 7.39 3.85 0.00 1.70 1.90 0.78 0.83 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 0.00 140 A 7.67 4.03 0.82 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 0.00 0.00 141 K 8.07 4.61 0.00 1.87 1.79 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.29 7.81 142 S 7.78 5.12 0.00 4.44 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 0.00 143 R 8.72 4.63 0.00 1.84 2.04 0.00 3.47 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 144 W 8.47 4.58 0.00 3.62 3.44 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 0.00 145 Y 8.21 3.57 0.00 2.99 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 0.00 146 N 8.08 4.52 0.00 2.81 2.88 0.00 0.00 6.68 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 7.39 4.53 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.33 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 148 T 7.28 4.48 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 1.20 0.00 0.00 149 P 0.00 3.48 0.00 1.70 1.54 0.00 3.55 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.78 0.00 150 N 8.23 3.74 0.00 2.88 2.86 0.00 0.00 5.90 7.66 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 0.00 151 R 7.70 3.77 0.00 1.88 1.90 0.00 3.32 0.00 0.00 3.50 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.97 0.00 152 A 7.35 3.25 0.34 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 0.00 153 K 7.61 3.98 0.00 2.04 1.85 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.61 1.65 7.81 154 R 7.83 3.88 0.00 1.97 1.79 0.00 2.34 0.00 0.00 2.92 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 155 V 7.94 3.64 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.26 0.00 0.00 156 I 8.19 4.00 2.21 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.00 1.01 0.00 0.00 157 T 8.18 4.05 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 1.36 0.00 0.00 158 T 8.34 3.81 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 0.93 0.00 0.00 159 F 8.27 4.16 0.00 3.16 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 R 8.13 4.10 0.00 2.02 2.11 0.00 3.30 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 161 T 7.94 4.03 4.20 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 1.25 0.00 0.00 162 G 7.88 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 0.00 163 T 8.56 4.58 4.33 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 1.18 0.00 0.00 164 W 8.59 4.97 0.00 3.38 3.11 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 0.00 165 D 8.19 4.46 0.00 2.72 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 A 8.16 4.12 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 0.00 167 Y 8.56 4.37 0.00 2.95 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 0.00 168 K 8.42 4.17 0.00 1.66 1.63 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.24 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.45 7.81 * Residues marked with a * may have inaccurate shift predictions.