NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-5 Y 4.5196 8.1293 118.8783 55.9581 39.9259 175.5005 -4 F 4.4842 6.7444 111.8930 55.0798 40.6774 174.4357 -3 Q 3.9698 8.2943 117.4702 56.5777 27.1178 175.2912 -2 S 4.6132 8.0816 112.0408 57.8056 63.4473 174.7640 -1 N 4.2959 8.4949 115.3408 53.1893 35.0762 175.1284 0 A 5.2971 7.0908 123.8743 52.2128 21.4145 175.8744 -3 S 4.0998 8.2843 113.3702 59.1777 61.5178 173.8912 -2 I 4.3132 7.7716 116.2408 60.6056 38.4473 176.5640 -1 E 3.9059 8.5149 116.8408 56.6893 26.0762 176.5284 0 I 5.1471 6.8508 119.9743 60.8128 41.1145 174.4744 6 R 4.7832 8.5761 121.7827 54.4275 33.3264 174.1812 7 K 4.6187 8.6236 119.0530 56.4549 32.5431 177.4028 8 L 4.5040 9.0131 125.4354 54.9831 42.4940 176.6475 9 S 4.7956 9.4080 117.1428 55.9002 65.6268 175.0587 10 I 3.8436 8.0259 112.7416 63.2955 37.4902 177.8993 11 E 4.0232 7.6472 119.6166 58.8333 29.5102 177.9302 12 D 4.6030 8.1421 117.8418 54.6372 40.9283 177.6159 13 L 3.8342 7.4577 122.4609 58.5216 41.9464 178.8652 14 E 3.9728 8.0562 117.8337 59.5951 29.5512 179.2964 15 T 3.9122 7.8282 109.3811 64.6324 68.7278 176.1836 16 L 3.8538 8.1272 123.4434 57.7455 41.9550 178.8410 17 I 3.6070 7.7450 119.8586 64.4149 36.9325 178.2327 18 E 3.9010 7.8983 118.8912 59.5491 29.3789 179.7102 19 V 3.6868 8.0043 118.0416 65.7622 31.4042 178.0028 20 A 3.9956 8.6173 121.3949 55.0938 18.0044 179.5454 21 R 3.7997 7.8760 116.8323 59.6442 30.1077 179.1227 22 E 3.4502 7.8222 118.3959 58.9322 29.5572 179.0114 23 S 2.7900 7.3351 114.2792 60.8693 62.6292 176.6914 24 W 4.1654 7.8284 131.3249 60.1481 30.8491 178.2928 25 K 3.9534 7.7263 118.2823 58.8998 31.0460 179.2637 26 W 4.7719 7.4011 118.3631 59.9502 29.4891 178.5335 27 T 3.6748 7.4973 113.9064 65.9374 67.8347 174.5056 28 Y 4.4652 7.2078 114.7827 57.0635 39.9682 176.7889 29 A 4.0345 8.0194 125.1121 55.2104 18.4908 179.2649 30 G 4.0370 7.9270 102.4305 45.7405 0.0000 173.4858 31 I 4.1709 7.9625 119.2642 62.5798 39.5460 175.9528 32 Y 4.4395 7.3552 115.9084 56.9301 39.1242 175.8592 33 S 4.5933 8.4469 116.3800 57.6897 65.4830 174.9966 34 E 4.0165 8.7507 121.5915 59.9023 29.0993 179.0765 35 E 3.9981 8.4119 117.7734 60.2024 29.6074 178.9644 36 Y 4.1015 8.2131 118.6821 60.5484 38.6879 178.3510 37 I 4.1260 8.1238 121.0053 64.7036 37.1791 178.0132 38 E 4.0136 8.2378 118.0224 59.6126 29.4855 179.3908 39 S 4.1120 7.8734 113.0048 60.9971 62.6330 175.6755 40 W 3.7192 7.8106 131.1976 60.4328 30.1174 177.9581 41 I 3.5844 7.4777 112.8474 63.8148 36.6923 178.1655 42 R 3.8171 7.4970 118.9651 59.3758 30.0492 178.5478 43 E 3.8206 7.5633 115.9110 58.9604 29.5535 178.8633 44 K 3.5331 6.9501 117.1245 57.4045 32.8049 177.3655 45 Y 4.7780 7.6126 117.2062 57.4325 38.3757 176.6906 46 S 4.3312 7.4889 114.4972 57.7690 65.6411 173.7702 47 K 3.8718 8.4899 123.5522 59.9020 31.9317 178.9412 48 E 3.9469 7.9993 118.2388 59.3461 29.6087 179.3558 49 K 4.0141 7.8806 118.1116 59.3920 32.1449 179.5237 50 L 4.1552 8.0262 119.3432 57.4706 41.4711 179.4326 51 L 3.9073 7.9527 120.5179 58.1323 42.1105 178.1448 52 N 4.2399 8.5432 117.4667 57.1755 38.7972 176.5661 53 E 4.0988 8.1055 119.1309 59.3624 29.5695 179.3381 54 I 3.8482 8.0305 120.0150 64.2209 37.0508 178.6842 55 V 3.5878 7.8912 119.1274 66.2015 31.4594 178.3519 56 R 3.9232 8.0081 117.7590 59.2386 29.8750 179.0863 57 S 4.9858 8.1239 114.3785 60.9562 62.2472 175.9858 58 Q 4.1059 8.3578 121.6233 58.5623 28.8229 177.1539 59 S 4.5122 8.1262 114.3576 57.1072 63.8778 173.6353 60 N 4.3165 7.8233 117.6437 54.9176 37.1992 174.1801 61 L 4.7536 7.5831 122.6763 55.4826 42.2241 177.9728 62 D 5.0936 8.6448 127.7694 53.8027 40.5567 175.0808 63 I 5.1340 7.8062 118.9173 60.0290 42.1895 173.7991 64 L 5.0745 8.9725 126.9212 53.3553 45.3197 175.0892 65 F 5.4077 8.9188 127.4892 56.9743 42.0004 172.5438 66 L 5.2695 9.1753 126.4879 53.0070 44.1731 176.0919 67 G 4.4548 9.1621 109.3674 44.4288 0.0000 172.2999 68 A 5.4158 9.0880 124.2585 49.9268 21.4873 175.6057 69 F 5.2746 8.9072 120.4786 55.6441 42.5237 174.4143 70 A 4.7341 8.7417 125.5755 51.1458 20.4354 177.4872 71 D 4.1565 9.3054 124.9220 55.8460 38.2011 175.1036 72 S 4.1955 8.0835 113.6644 58.7238 61.2469 169.8253 73 T 4.5414 8.2115 118.7193 61.2701 69.7394 173.6906 74 L 3.8340 8.5730 129.1037 54.8996 42.4718 176.0317 75 I 4.2711 8.3430 118.6743 60.5573 39.8908 174.8703 76 G 4.3818 7.5148 108.8155 46.3198 0.0000 171.5289 77 F 5.5494 8.5215 114.5454 56.3905 42.0717 172.9067 78 I 5.2662 9.1046 118.6180 59.8031 41.8879 172.9796 79 E 5.1318 9.7286 129.7539 54.4638 32.9388 174.2028 80 L 5.2833 8.7576 125.1819 52.9232 46.5755 175.0685 81 K 4.8869 9.0392 123.7491 54.9711 34.1816 175.1423 82 I 4.9671 8.6805 127.6109 59.8171 40.2867 174.8513 83 I 4.4488 8.3693 128.7266 59.9494 39.4212 175.5919 84 A 3.4723 8.1938 130.3334 54.0250 16.9837 177.1992 85 N 4.8603 8.7231 115.8530 55.1441 38.9262 174.0193 86 K 5.2585 8.1044 117.8690 54.6047 36.1506 174.8994 87 A 5.3158 9.0058 122.4307 50.2947 23.1446 174.6325 88 E 4.9962 9.3643 120.6644 54.2928 32.8819 174.6514 89 L 4.6188 9.0106 130.3262 54.3020 41.6733 176.0421 90 L 4.4909 8.6269 128.0088 57.5452 42.4043 178.0133 91 R 4.8058 7.7073 111.9105 55.2689 32.4969 173.8444 92 L 5.1406 8.5517 122.5674 53.7921 45.2431 174.6607 93 Y 4.8464 8.7604 126.5906 56.2067 42.6620 173.2316 94 L 4.6964 7.3231 124.7970 52.0717 45.1164 176.6754 95 K 4.5471 8.3137 122.1291 55.4620 32.9637 176.0502 96 P 4.4322 0.0000 0.0000 65.3137 31.2990 178.4685 97 E 3.7825 8.2273 115.0335 58.7814 29.3821 177.4069 98 Y 4.5488 7.8751 115.3411 58.0095 39.4236 177.1473 99 T 4.0847 7.8540 117.8257 62.9405 67.1798 174.2564 100 H 5.0133 7.5396 119.5524 54.1306 30.6239 176.9579 101 K 4.1758 8.9893 127.4178 60.0218 31.8443 179.7162 102 K 4.2091 8.0999 123.5933 59.3465 31.6347 184.4382 103 I 4.0748 8.3328 120.4380 64.5592 37.1555 178.3888 104 G 3.5861 8.0948 106.0885 47.9551 0.0000 175.3070 105 K 4.3241 8.2434 121.4787 59.5360 32.1817 179.1525 106 T 3.9491 8.0701 116.1126 66.5169 68.4184 176.4113 107 L 4.0323 8.2862 121.2740 58.0526 41.7410 179.3701 108 L 4.1410 8.3052 119.9742 58.1947 42.1015 178.8589 109 L 4.0177 8.5258 120.6797 58.3385 42.1717 178.8888 110 E 4.0509 8.8072 118.7723 59.1516 29.1246 179.1179 111 A 4.0847 7.9980 120.3462 55.2865 18.5159 179.2494 112 E 3.8894 8.0898 116.2604 59.0345 29.2975 178.9560 113 K 4.0525 7.9521 119.6848 59.4902 32.1013 179.7008 114 I 3.7670 7.4983 117.8651 61.5467 36.8484 178.3338 *116 K 4.0938 7.9983 119.8789 56.5300 33.8649 178.4496 117 K 3.9179 7.5544 115.4443 59.5140 32.0004 178.9110 118 K 4.0096 7.6762 116.6163 57.8955 32.0834 178.1846 119 G 3.9666 8.1237 106.7566 44.9177 0.0000 173.5445 120 I 3.9367 7.5337 120.5654 61.6743 37.4693 175.7336 121 L 4.7942 8.8207 124.3921 54.9775 43.3124 175.7491 122 E 4.9357 7.9739 119.6038 54.8354 33.7375 173.0724 123 C 5.3130 8.9399 125.8191 57.9185 34.9974 173.0526 124 R 5.2406 9.2294 125.2849 54.8378 33.3606 174.8129 125 L 4.8987 8.0921 118.9200 55.1119 43.8376 173.4476 126 Y 5.1184 8.6931 117.6028 56.2800 40.7788 175.7182 127 V 4.6727 8.9568 122.7907 60.0746 35.0602 174.2886 128 H 4.8170 9.1877 125.4988 56.1824 30.3816 176.2683 129 R 4.2435 8.0047 124.5105 59.5353 30.1210 178.3510 130 Q 4.1593 8.3068 115.5911 58.4355 29.5276 177.2651 131 N 4.7463 8.0649 117.7415 53.8110 34.9762 175.1759 132 S 4.2636 7.9898 119.9731 60.8605 63.7069 176.7276 133 V 3.6825 7.8477 121.7737 65.6404 31.2561 178.1273 134 G 3.3722 8.2243 105.0192 47.6898 0.0000 175.0822 135 F 4.1911 8.3080 124.0401 61.1671 39.4836 177.3013 136 S 4.2596 8.5570 114.4075 61.7463 62.5051 176.2604 137 F 4.0752 8.0848 121.8178 61.6915 39.4034 176.5249 138 Y 4.5014 8.4762 116.8024 61.5741 37.7259 178.2498 139 Y 4.2927 7.9397 118.8260 60.4366 37.6935 178.7911 140 K 4.1111 7.9543 119.1494 58.5708 32.2660 177.6073 141 N 4.8115 7.3163 114.4615 52.8501 38.8632 175.5249 142 G 3.9613 7.8897 108.0533 44.9842 0.0000 174.3211 143 F 4.4822 8.1080 118.6914 56.7329 40.6054 174.8323 144 K 3.6255 8.5891 120.9693 53.8402 35.6573 176.0094 145 V 3.8316 7.9313 122.2872 63.1069 31.2785 175.4066 146 E 4.3605 8.8482 128.6552 57.3584 31.0831 174.3707 147 D 4.4739 7.3167 116.0532 54.1284 44.0248 173.4915 148 T 4.9828 8.3941 110.3415 59.8905 71.4381 173.8427 149 D 4.9325 9.1557 123.0693 53.0013 42.5401 177.8677 150 G 3.8183 8.5249 113.4442 47.1042 0.0000 173.3358 151 S 4.3158 9.0962 119.2559 59.0969 64.0421 173.0406 152 D 5.0835 7.5194 120.1684 52.4000 45.4627 174.6374 153 F 4.9185 9.1372 121.5434 57.4764 40.4340 175.9878 154 I 4.4664 8.4384 124.9161 59.5662 39.4157 174.1820 *156 E 4.6350 8.4081 122.7662 56.5959 31.3180 174.3512 157 K 4.2501 7.9779 123.5334 54.9269 35.5117 175.0835 158 K 4.4914 8.2153 128.5714 55.4172 34.1534 175.7059 159 Y 4.4435 8.6041 121.0654 58.1576 38.2926 175.5733 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 Y 8.13 4.52 0.00 2.37 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 0.00 0.00 0.00 -4 F 6.74 4.48 0.00 3.12 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 -3 Q 8.29 3.97 0.00 2.40 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 7.00 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 -2 S 8.08 4.61 0.00 4.29 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 -1 N 8.49 4.30 0.00 2.74 2.87 0.00 0.00 6.44 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 0 A 7.09 5.30 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 -3 S 8.28 4.10 0.00 4.17 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 -2 I 7.77 4.31 1.87 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 1.15 1.60 0.91 0.00 0.00 -1 E 8.51 3.91 0.00 1.97 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 2.24 1.86 0.00 0 I 6.85 5.15 1.87 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 1.10 1.05 0.91 0.00 0.00 6 R 8.58 4.78 0.00 1.84 1.99 0.00 2.86 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.72 0.00 7 K 8.62 4.62 0.00 1.70 1.84 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.53 7.81 8 L 9.01 4.50 0.00 1.25 1.38 0.08 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 9 S 9.41 4.80 0.00 3.89 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 0.00 10 I 8.03 3.84 1.85 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 1.40 0.77 0.90 0.00 0.00 11 E 7.65 4.02 0.00 1.96 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 0.00 2.32 2.31 0.00 12 D 8.14 4.60 0.00 2.78 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 13 L 7.46 3.83 0.00 1.85 1.65 0.87 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.06 3.97 0.00 2.00 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 2.38 2.29 0.00 15 T 7.83 3.91 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 1.23 0.00 0.00 16 L 8.13 3.85 0.00 1.64 1.79 0.30 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.74 3.61 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.67 0.89 0.00 0.00 18 E 7.90 3.90 0.00 1.96 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 2.49 2.46 0.00 19 V 8.00 3.69 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 1.38 0.00 0.00 1.02 0.00 0.00 20 A 8.62 4.00 0.64 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 0.00 0.00 21 R 7.88 3.80 0.00 1.96 1.98 0.00 3.11 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 22 E 7.82 3.45 0.00 1.80 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 2.43 2.46 0.00 23 S 7.34 2.79 0.00 3.53 3.68 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 24 W 7.83 4.17 0.00 3.83 3.58 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 0.00 0.00 0.00 0.00 25 K 7.73 3.95 0.00 0.98 1.48 0.00 1.67 0.00 0.00 1.51 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.63 7.81 26 W 7.40 4.77 0.00 3.16 3.08 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 27 T 7.50 3.67 3.43 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 -0.13 0.00 0.00 28 Y 7.21 4.47 0.00 2.25 2.66 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 29 A 8.02 4.03 1.55 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 0.00 0.00 30 G 7.93 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 0.00 0.00 0.00 31 I 7.96 4.17 1.46 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.52 0.34 0.00 0.00 32 Y 7.36 4.44 0.00 3.14 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 33 S 8.45 4.59 0.00 4.15 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 34 E 8.75 4.02 0.00 2.07 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 0.00 2.47 2.41 0.00 35 E 8.41 4.00 0.00 2.11 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 0.00 2.46 2.46 0.00 36 Y 8.21 4.10 0.00 3.16 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 37 I 8.12 4.13 2.21 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.81 1.31 0.00 0.00 38 E 8.24 4.01 0.00 2.10 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 2.62 2.52 0.00 39 S 7.87 4.11 0.00 3.77 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 40 W 7.81 3.72 0.00 2.67 2.37 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 41 I 7.48 3.58 1.99 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 1.70 0.64 1.14 0.00 0.00 42 R 7.50 3.82 0.00 1.89 1.92 0.00 3.11 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 43 E 7.56 3.82 0.00 1.34 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 0.00 2.08 2.13 0.00 44 K 6.95 3.53 0.00 0.79 0.74 0.00 1.04 0.00 0.00 1.01 0.00 0.00 2.53 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.30 0.21 7.81 45 Y 7.61 4.78 0.00 2.96 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 46 S 7.49 4.33 0.00 4.06 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 47 K 8.49 3.87 0.00 1.81 1.82 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.48 1.51 7.81 48 E 8.00 3.95 0.00 2.04 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 2.42 0.00 49 K 7.88 4.01 0.00 1.71 1.75 0.00 1.54 0.00 0.00 1.48 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.36 7.81 50 L 8.03 4.16 0.00 1.81 1.72 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.95 3.91 0.00 1.94 1.81 0.90 0.56 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 52 N 8.54 4.24 0.00 2.88 2.99 0.00 0.00 7.30 7.61 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 53 E 8.11 4.10 0.00 2.47 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 2.33 2.47 0.00 54 I 8.03 3.85 1.85 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.72 0.89 0.00 0.00 55 V 7.89 3.59 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 1.12 0.00 0.00 0.95 0.00 0.00 56 R 8.01 3.92 0.00 2.16 2.00 0.00 3.41 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 57 S 8.12 4.99 0.00 4.09 4.16 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 58 Q 8.36 4.11 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 59 S 8.13 4.51 0.00 3.91 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 60 N 7.82 4.32 0.00 2.87 2.87 0.00 0.00 6.74 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 61 L 7.58 4.75 0.00 1.83 1.07 0.93 0.77 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 62 D 8.64 5.09 0.00 2.83 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 63 I 7.81 5.13 1.91 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.14 0.96 0.00 0.00 64 L 8.97 5.07 0.00 1.76 1.53 1.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.92 5.41 0.00 3.06 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 66 L 9.18 5.27 0.00 1.83 1.68 1.02 0.87 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 67 G 9.16 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 0.00 0.00 0.00 0.00 68 A 9.09 5.42 1.17 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 0.00 0.00 69 F 8.91 5.27 0.00 2.75 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 70 A 8.74 4.73 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 71 D 9.31 4.16 0.00 2.74 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 72 S 8.08 4.20 0.00 4.04 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 73 T 8.21 4.54 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 1.21 0.00 0.00 74 L 8.57 3.83 0.00 1.35 1.46 0.09 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.34 4.27 1.08 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.47 -0.05 0.00 0.00 76 G 7.51 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 0.00 0.00 0.00 0.00 77 F 8.52 5.55 0.00 3.40 3.23 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 78 I 9.10 5.27 2.01 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.52 1.09 0.00 0.00 79 E 9.73 5.13 0.00 1.40 1.63 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 1.88 1.47 0.00 80 L 8.76 5.28 0.00 1.65 1.53 1.02 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 81 K 9.04 4.89 0.00 1.81 1.68 0.00 1.57 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.53 7.81 82 I 8.68 4.97 1.90 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 1.27 1.13 0.94 0.00 0.00 83 I 8.37 4.45 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.06 0.93 0.00 0.00 84 A 8.19 3.47 1.16 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 0.00 0.00 85 N 8.72 4.86 0.00 2.81 2.85 0.00 0.00 6.63 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 86 K 8.10 5.26 0.00 1.72 1.70 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.36 1.37 7.81 87 A 9.01 5.32 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 88 E 9.36 5.00 0.00 2.03 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 2.28 2.33 0.00 89 L 9.01 4.62 0.00 1.73 1.55 0.92 1.07 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 90 L 8.63 4.49 0.00 1.81 1.79 0.89 0.69 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 91 R 7.71 4.81 0.00 2.05 2.25 0.00 3.45 0.00 0.00 3.46 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.12 0.00 92 L 8.55 5.14 0.00 1.74 1.68 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 8.76 4.85 0.00 2.75 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 0.00 0.00 0.00 94 L 7.32 4.70 0.00 1.16 1.26 0.65 0.87 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 95 K 8.31 4.55 0.00 2.00 2.15 0.00 1.75 0.00 0.00 1.95 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.71 1.60 7.81 96 P 0.00 4.43 0.00 2.08 1.93 0.00 4.10 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.80 0.00 97 E 8.23 3.78 0.00 1.64 1.67 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.53 1.57 7.81 106 T 8.07 3.95 4.43 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 1.27 0.00 0.00 107 L 8.29 4.03 0.00 1.94 1.83 0.91 0.53 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 0.00 108 L 8.31 4.14 0.00 2.08 1.92 1.21 0.69 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 0.00 109 L 8.53 4.02 0.00 2.00 1.83 0.97 0.93 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 0.00 110 E 8.81 4.05 0.00 2.06 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 0.00 2.57 2.53 0.00 111 A 8.00 4.08 1.50 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 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.09 3.89 0.00 2.08 1.79 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 2.37 2.55 0.00 113 K 7.95 4.05 0.00 1.84 1.99 0.00 1.64 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.48 7.81 114 I 7.50 3.77 1.89 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 1.54 1.28 0.93 0.00 0.00 *116 K 8.00 4.09 0.00 1.96 1.83 0.00 1.62 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.41 7.81 117 K 7.55 3.92 0.00 1.77 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.40 7.81 118 K 7.68 4.01 0.00 1.71 1.88 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.60 7.81 119 G 8.12 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 0.00 0.00 0.00 120 I 7.53 3.94 1.90 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 1.46 0.48 1.05 0.00 0.00 121 L 8.82 4.79 0.00 1.64 1.72 0.94 0.52 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 0.00 122 E 7.97 4.94 0.00 1.98 1.73 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 2.25 2.23 0.00 123 C 8.94 5.31 0.00 3.20 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 0.00 124 R 9.23 5.24 0.00 1.82 1.83 0.00 3.20 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 125 L 8.09 4.90 0.00 1.50 1.47 0.47 -1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 8.69 5.12 0.00 2.86 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 0.00 127 V 8.96 4.67 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 1.24 0.00 0.00 1.29 0.00 0.00 128 H 9.19 4.82 0.00 3.33 3.23 0.00 5.68 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 R 8.00 4.24 0.00 1.64 1.87 0.00 2.85 0.00 0.00 2.71 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.32 0.00 130 Q 8.31 4.16 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.51 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 131 N 8.06 4.75 0.00 2.89 3.00 0.00 0.00 6.82 7.63 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 0.00 132 S 7.99 4.26 0.00 4.09 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 0.00 133 V 7.85 3.68 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 1.04 0.00 0.00 0.90 0.00 0.00 134 G 8.22 3.37 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 0.00 135 F 8.31 4.19 0.00 3.38 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 0.00 136 S 8.56 4.26 0.00 4.16 3.98 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 0.00 137 F 8.08 4.08 0.00 2.88 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 0.00 138 Y 8.48 4.50 0.00 2.94 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.94 4.29 0.00 2.83 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 0.00 140 K 7.95 4.11 0.00 1.91 1.74 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.48 7.81 141 N 7.32 4.81 0.00 2.64 2.78 0.00 0.00 7.23 6.93 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 0.00 142 G 7.89 3.96 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 0.00 0.00 0.00 143 F 8.11 4.48 0.00 2.73 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 0.00 144 K 8.59 3.63 0.00 1.40 1.60 0.00 1.86 0.00 0.00 1.43 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.17 1.41 7.81 145 V 7.93 3.83 2.20 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 0.95 0.00 0.00 0.94 0.00 0.00 146 E 8.85 4.36 0.00 1.89 1.90 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 2.21 2.53 0.00 147 D 7.32 4.47 0.00 2.72 2.43 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 0.00 148 T 8.39 4.98 4.11 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 1.21 0.00 0.00 149 D 9.16 4.93 0.00 2.62 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 0.00 150 G 8.52 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 0.00 0.00 0.00 151 S 9.10 4.32 0.00 3.90 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 0.00 152 D 7.52 5.08 0.00 2.87 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 0.00 153 F 9.14 4.92 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 0.00 154 I 8.44 4.47 1.75 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.22 0.73 0.00 0.00 *156 E 8.41 4.63 0.00 2.04 1.78 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 2.12 2.24 0.00 157 K 7.98 4.25 0.00 0.79 0.74 0.00 0.81 0.00 0.00 0.95 0.00 0.00 2.83 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.43 0.78 7.81 158 K 8.22 4.49 0.00 1.64 1.49 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.67 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.26 1.52 7.81 159 Y 8.60 4.44 0.00 2.77 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 * Residues marked with a * may have inaccurate shift predictions.