NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 L 4.2718 8.2845 120.7659 54.4570 41.6817 174.5710 15 S 4.3605 7.9783 107.8972 60.3262 64.9749 169.9301 *16 W 4.2242 7.9247 122.7454 56.8184 30.1599 177.1050 17 D 4.7459 8.1820 116.7683 53.8973 44.4864 173.5517 18 I 4.6147 7.9395 129.8645 62.3616 43.0542 174.9103 19 N 4.7865 8.6080 127.2101 53.3448 37.1790 173.7598 20 D 4.3670 7.8211 118.9187 53.7804 41.3185 176.5995 21 V 3.5235 7.8920 118.2655 64.4045 31.3660 175.9306 22 K 4.5458 7.5353 120.0363 53.3351 35.1997 175.7924 23 L 4.3767 8.1438 123.2021 52.4899 42.7540 174.9729 24 P 4.5725 0.0000 0.0000 63.6214 31.5876 175.5469 25 Q 4.9310 8.3069 115.7098 56.2306 29.8551 175.3806 26 N 4.8950 8.3711 111.9671 52.8220 39.0970 175.1014 27 V 3.4443 7.9116 118.1270 63.8095 31.4734 175.4501 28 K 4.4580 8.6688 125.7734 57.3900 34.1859 176.8783 29 T 4.3003 7.5202 116.1881 62.3420 66.9296 173.2255 30 T 4.1391 7.7477 113.6017 59.3178 68.1086 174.6421 31 D 4.5699 8.2972 127.8552 54.7013 41.7969 177.3297 32 W 4.2554 8.7711 121.7641 55.7143 29.9812 176.0963 33 F 3.1366 8.8075 122.9838 58.9234 38.9262 174.5135 34 Q 4.2309 6.9882 126.8777 54.3717 30.0865 175.5172 35 E 3.6567 8.5067 123.4994 57.9257 30.5867 176.4478 36 W 4.9212 7.5699 115.6108 54.2168 29.1203 174.0197 37 P 4.3917 0.0000 0.0000 63.2922 30.3483 175.9850 38 D 4.7272 8.4444 121.1533 54.0093 44.4763 174.1408 39 S 4.1740 8.8549 116.1346 60.4292 59.3338 170.2096 40 Y 3.7498 7.9019 111.7341 58.4809 36.0155 170.8284 41 V 3.8816 7.1681 117.3216 63.3647 32.8428 174.8560 42 K 5.0084 8.3595 124.0058 55.2088 36.0921 175.0104 43 H 4.8508 8.8990 119.7933 54.2287 33.4154 174.1112 44 I 3.9028 7.4167 115.4161 62.5671 39.7853 174.9961 45 Y 4.4119 6.7543 119.5026 52.5476 39.9047 175.5733 46 S 4.8791 8.8168 117.7443 58.2113 63.8083 174.6777 47 S 4.6080 8.9122 118.8343 59.4173 63.0120 174.5221 48 D 4.5055 7.7112 120.0880 55.1423 41.4099 176.6747 49 D 4.3188 7.7384 118.7322 54.2619 40.7278 176.0474 50 R 4.0899 8.4296 127.0825 59.4023 30.1762 178.1394 51 N 3.9464 7.7941 114.7660 55.0779 38.6428 176.9781 52 A 4.3488 7.4369 122.1883 54.4979 18.4409 179.7265 53 Q 3.8671 8.0087 116.6525 59.1463 28.9037 178.4612 54 R 4.0004 7.1654 114.8850 55.5143 31.0441 176.5258 55 H 2.0000 6.6649 114.7010 55.9899 26.4316 174.1812 56 L 4.4754 7.2999 117.9663 54.4163 43.2148 177.1212 57 S 4.5686 7.9989 110.8437 58.1772 64.8109 175.6495 58 S 4.0841 8.3355 122.7657 58.6311 62.7164 174.3417 59 W 4.8120 7.4642 121.0212 55.8106 30.4329 176.5524 60 A 4.3982 9.0353 125.3033 52.1333 18.5650 175.8405 61 M 5.2684 8.7379 121.1461 54.3463 34.4639 175.9475 62 R 4.7347 9.0754 120.1692 53.8923 32.5673 175.0625 63 N 4.6016 8.8226 119.6127 54.7905 39.5869 173.7581 64 T 4.6002 8.3687 119.0922 60.3038 70.6798 172.7439 65 N 4.5883 8.9077 127.5148 52.7836 38.8001 173.7251 66 N 4.7760 8.6768 122.1335 52.0499 38.3306 174.6821 67 H 3.8607 7.6963 114.5394 55.9214 26.0676 175.4738 68 N 4.4297 7.1978 113.9485 53.1462 40.2064 174.7314 69 S 4.3548 8.7602 122.4661 60.2880 63.1957 175.6980 70 R 4.2559 8.4464 119.2429 56.9101 30.5670 176.1557 71 I 4.6681 7.5046 117.9650 59.2325 39.2382 175.7592 72 L 4.2867 9.3614 131.7578 54.4785 42.7764 175.3130 73 K 4.7631 8.4506 127.8277 54.0999 34.8810 175.0024 74 K 5.1140 8.0221 124.0453 55.0454 36.9384 174.9501 75 S 5.1878 8.9459 119.0414 56.2281 66.1400 172.9579 76 C 4.7438 9.2932 124.3227 59.8853 31.0889 173.7547 77 L 4.0765 9.2344 127.4568 55.6639 41.6467 177.5234 78 G 4.0070 9.0558 103.1125 43.1391 0.0000 174.0550 79 V 4.4332 9.1444 120.7356 60.7431 35.1136 172.3081 80 V 4.5671 8.4838 124.0317 62.2435 33.0362 175.2674 81 V 5.0284 8.5276 119.9532 58.4040 36.3951 173.9529 82 C 4.7331 8.2610 121.8830 58.4940 31.5501 174.1248 83 S 4.1125 8.6831 122.8593 60.7371 63.0455 175.2799 84 R 4.2143 8.0246 119.9116 55.7500 29.5502 176.8704 85 D 4.3132 7.7943 113.3635 55.1685 39.9865 173.0158 86 C 3.6661 7.5998 118.8308 57.7274 32.9228 173.0981 87 S 4.7122 8.3098 118.3822 56.5096 65.4155 175.2574 88 T 4.5941 8.4551 117.8073 61.8588 68.3764 173.2220 89 E 4.2582 8.7641 118.3023 58.5349 30.2228 176.5146 90 E 4.4126 8.1981 115.0462 55.8857 29.7896 175.9469 91 G 3.8619 7.9893 105.4035 47.4444 0.0000 174.0239 92 R 4.5081 8.0809 119.0237 54.1834 31.4890 176.6526 93 K 4.4691 8.4951 122.0287 55.5903 33.5479 175.9704 94 I 4.2282 7.6802 121.7984 60.2168 39.1649 174.3312 95 Y 5.0828 8.5027 125.0465 55.8817 39.8344 174.8546 96 L 4.4622 9.0245 124.7669 54.2161 43.5086 176.1665 97 R 4.5537 8.5017 122.8643 55.0825 30.5526 174.5819 98 P 4.5387 0.0000 0.0000 62.5142 32.0749 176.0493 99 A 4.2735 8.2718 124.6222 52.1737 19.1515 178.1662 100 I 3.8735 8.4055 123.1632 64.2635 37.8981 176.6523 101 C 4.1135 8.0349 121.4311 59.5350 31.4204 173.2161 102 D 4.4264 9.1626 127.6285 57.7917 40.9019 179.2441 103 K 4.0385 8.1013 118.5586 59.2237 32.1774 178.5729 104 A 4.0367 7.9883 121.2824 54.9850 18.4132 179.4828 105 R 3.9827 7.7985 115.8858 58.9354 29.8428 178.9132 106 Q 3.9582 7.7899 117.0580 59.0740 29.0994 178.1831 107 K 4.0954 7.8954 118.5393 58.8648 31.9169 179.3558 108 Q 3.9283 7.9047 120.3495 59.2146 28.9738 177.7272 109 Q 4.1063 7.7489 116.5760 58.2274 28.7577 178.3479 110 R 4.2290 7.2473 118.5018 56.9958 30.9799 177.3505 111 K 4.0557 7.3850 117.2686 56.5979 32.6612 176.9456 112 S 4.5739 8.2757 117.8144 57.7413 64.0247 173.9180 113 C 4.2166 9.2089 124.5351 59.1248 31.7047 172.8861 114 P 4.4189 0.0000 0.0000 63.9573 30.9446 175.5183 115 N 4.5366 7.2923 116.5048 54.5195 40.0821 173.8283 116 C 4.3485 7.9214 109.8871 57.4917 30.5965 173.7885 117 N 4.8993 7.6155 115.4984 53.6328 37.3492 174.3994 118 G 4.0021 7.3447 105.7312 43.5806 0.0000 171.2268 119 P 4.8004 0.0000 0.0000 62.3292 32.9695 175.5169 120 L 4.9740 8.3596 121.5603 53.7981 43.6877 175.8558 121 K 4.5134 8.7658 122.0384 54.6978 35.8370 174.9240 122 L 4.7329 8.6148 129.6092 53.8830 42.6158 175.4631 123 I 4.2567 8.3860 129.1583 60.0115 38.1212 174.6589 124 P 4.8973 0.0000 0.0000 61.8111 32.6722 174.9545 125 C 4.6428 8.2204 120.0180 58.2516 32.7913 172.7012 126 R 6.0300 7.2178 122.8859 56.6682 31.5813 176.0051 127 G 4.4020 7.5446 104.3132 46.4295 0.0000 173.6460 128 H 4.8678 8.5792 121.3958 54.8708 30.7387 172.5603 129 G 4.1690 10.1957 113.4890 46.1721 0.0000 172.3495 130 G 3.9545 8.7494 104.7954 44.8817 0.0000 173.6830 131 F 4.8173 8.9417 118.9920 54.2078 41.7695 172.8952 132 P 4.5324 0.0000 0.0000 63.1157 31.7079 176.3753 133 V 3.7635 8.6342 123.8119 63.6776 32.6176 174.7056 134 T 5.0539 8.3175 116.4087 60.0375 72.1351 172.2386 135 N 5.3183 8.5223 118.7524 51.7029 43.5099 173.7173 136 F 5.0084 7.9858 118.0362 56.2903 43.7328 173.7980 137 W 5.2727 9.7269 124.2634 55.0474 32.5947 174.9787 138 R 5.0900 8.9173 123.9970 55.5774 33.3965 172.9211 139 H 5.2187 9.1798 127.0730 54.5745 30.6058 175.1026 140 D 4.9442 9.0698 128.1586 52.9418 42.1923 175.5607 141 G 3.7761 7.8380 116.0010 45.2389 0.0000 175.0363 142 R 3.4602 8.4728 129.3932 57.9361 30.7878 174.0806 143 F 5.2974 7.0797 111.3090 56.4476 42.0007 172.8779 144 I 5.1969 8.5963 120.5268 59.9769 38.4160 175.8365 145 F 4.5320 9.8157 126.7215 56.5196 40.8771 174.7366 146 F 4.6044 8.2886 123.2928 56.6155 43.1127 173.4467 147 Q 4.7662 6.3486 122.9452 55.0967 32.7857 172.9374 148 S 5.1039 8.6113 119.5900 56.4834 67.3826 173.2094 149 K 3.8514 9.6141 119.5799 58.1634 35.1193 175.9478 150 G 3.4245 5.3800 111.9851 43.5591 0.0000 170.5271 151 E 5.1269 8.4268 120.8024 55.2140 31.8430 174.3735 152 H 4.0335 8.4318 124.3881 56.5716 29.1314 176.0726 153 D 4.8736 8.0593 128.4746 51.6914 39.1833 175.9117 154 H 4.6351 7.3130 110.3808 54.8073 30.9421 172.4273 155 P 4.3021 0.0000 0.0000 62.7630 31.5625 176.2594 156 R 3.5858 7.9256 119.8951 55.3520 30.2386 175.2645 157 P 4.8635 0.0000 0.0000 62.5909 32.7424 175.3891 158 E 4.5356 8.1021 118.5739 56.1917 30.5691 177.2687 159 T 4.1179 8.4180 117.7841 63.0107 69.8741 175.6357 160 K 3.7687 8.9147 124.4282 60.0391 31.7420 178.7162 161 L 3.9776 7.7973 118.0076 58.8583 40.5814 178.8166 162 E 4.0931 7.9850 118.6081 58.9730 29.6809 178.5889 163 A 4.0986 8.7584 121.9694 55.4860 18.4989 179.4092 164 E 3.9499 8.4386 117.0979 59.0669 29.3575 178.8216 165 A 4.0541 7.6734 120.4710 55.4697 18.7664 179.2153 166 R 3.9652 8.0948 117.1123 58.6755 29.9226 178.7005 167 R 3.9570 7.9444 118.7576 59.1979 30.9940 177.0730 168 A 4.4437 7.8093 121.0933 51.8674 18.2512 174.9854 169 M 4.8193 7.4732 119.3908 54.4690 36.4665 175.1475 170 K 4.1062 8.5342 119.0365 59.4726 34.0625 177.1717 *171 K 4.1054 7.7818 125.5540 53.8162 32.3269 177.6104 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 14 L 8.28 4.27 0.00 1.68 1.51 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 15 S 7.98 4.36 0.00 3.68 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 *16 W 7.92 4.22 0.00 2.51 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 0.00 0.00 0.00 17 D 8.18 4.75 0.00 2.58 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 0.00 0.00 0.00 0.00 18 I 7.94 4.61 2.06 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.48 0.76 0.00 0.00 19 N 8.61 4.79 0.00 2.68 2.67 0.00 0.00 5.85 8.06 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 20 D 7.82 4.37 0.00 2.62 2.65 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 0.00 0.00 0.00 0.00 21 V 7.89 3.52 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.91 0.00 0.00 22 K 7.54 4.55 0.00 1.69 1.69 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.34 7.81 23 L 8.14 4.38 0.00 1.38 1.23 0.72 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.57 0.00 2.23 2.11 0.00 3.78 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 2.12 2.06 0.00 25 Q 8.31 4.93 0.00 2.12 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.43 0.00 0.00 0.00 0.00 0.00 2.59 2.63 0.00 26 N 8.37 4.89 0.00 2.72 2.84 0.00 0.00 7.06 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 27 V 7.91 3.44 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 0.36 0.00 0.00 0.33 0.00 0.00 28 K 8.67 4.46 0.00 1.76 1.82 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.61 7.81 29 T 7.52 4.30 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 1.23 0.00 0.00 30 T 7.75 4.14 4.21 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 1.22 0.00 0.00 31 D 8.30 4.57 0.00 2.76 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 32 W 8.77 4.26 0.00 3.27 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 33 F 8.81 3.14 0.00 2.84 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 34 Q 6.99 4.23 0.00 1.82 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 35 E 8.51 3.66 0.00 1.81 1.64 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 1.47 1.95 0.00 36 W 7.57 4.92 0.00 3.31 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 37 P 0.00 4.39 0.00 2.29 2.10 0.00 3.93 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.86 0.00 38 D 8.44 4.73 0.00 3.11 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.85 4.17 0.00 4.17 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 7.90 3.75 0.00 3.05 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 41 V 7.17 3.88 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 0.77 0.00 0.00 1.08 0.00 0.00 42 K 8.36 5.01 0.00 1.55 1.56 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.24 1.40 7.81 43 H 8.90 4.85 0.00 2.09 2.29 0.00 5.57 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 I 7.42 3.90 1.45 0.00 0.00 0.48 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 0.52 -0.35 0.00 0.00 45 Y 6.75 4.41 0.00 3.25 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 46 S 8.82 4.88 0.00 3.94 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 47 S 8.91 4.61 0.00 4.20 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 48 D 7.71 4.51 0.00 2.66 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 49 D 7.74 4.32 0.00 2.80 2.65 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 0.00 0.00 0.00 0.00 50 R 8.43 4.09 0.00 1.75 1.86 0.00 3.10 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 51 N 7.79 3.95 0.00 1.44 1.42 0.00 0.00 7.05 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 52 A 7.44 4.35 1.59 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 53 Q 8.01 3.87 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.18 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 54 R 7.17 4.00 0.00 1.51 1.80 0.00 3.22 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 55 H 6.66 2.00 0.00 2.58 1.40 0.00 5.84 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.30 4.48 0.00 1.87 1.69 0.65 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.00 4.57 0.00 4.13 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 58 S 8.34 4.08 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 W 7.46 4.81 0.00 3.22 3.14 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 0.00 0.00 0.00 60 A 9.04 4.40 1.38 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 61 M 8.74 5.27 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.87 0.00 62 R 9.08 4.73 0.00 1.83 2.05 0.00 2.81 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.56 0.00 63 N 8.82 4.60 0.00 2.75 2.77 0.00 0.00 6.72 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 64 T 8.37 4.60 4.21 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 1.18 0.00 0.00 65 N 8.91 4.59 0.00 2.65 2.67 0.00 0.00 6.99 7.79 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 66 N 8.68 4.78 0.00 2.92 2.92 0.00 0.00 6.39 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 67 H 7.70 3.86 0.00 3.28 3.38 0.00 5.69 0.00 0.00 0.00 0.00 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 N 7.20 4.43 0.00 2.71 2.70 0.00 0.00 7.06 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 69 S 8.76 4.35 0.00 3.92 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 70 R 8.45 4.26 0.00 2.04 2.01 0.00 3.12 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 71 I 7.50 4.67 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 1.17 0.93 1.17 0.00 0.00 72 L 9.36 4.29 0.00 1.75 1.84 0.89 -0.00 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 73 K 8.45 4.76 0.00 1.82 1.70 0.00 2.07 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.14 0.38 7.81 74 K 8.02 5.11 0.00 1.80 1.78 0.00 1.65 0.00 0.00 2.03 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.52 7.81 75 S 8.95 5.19 0.00 3.87 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 76 C 9.29 4.74 0.00 3.03 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 77 L 9.23 4.08 0.00 1.69 1.77 0.99 1.07 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 78 G 9.06 4.01 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 0.00 0.00 0.00 79 V 9.14 4.43 2.32 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 0.74 0.00 0.00 1.22 0.00 0.00 80 V 8.48 4.57 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 1.10 0.00 0.00 1.00 0.00 0.00 81 V 8.53 5.03 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 1.03 0.00 0.00 0.99 0.00 0.00 82 C 8.26 4.73 0.00 2.94 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 83 S 8.68 4.11 0.00 3.93 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 R 8.02 4.21 0.00 1.85 1.89 0.00 3.31 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 85 D 7.79 4.31 0.00 2.82 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 86 C 7.60 3.67 0.00 2.90 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 87 S 8.31 4.71 0.00 3.81 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 8.46 4.59 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 1.38 0.00 0.00 89 E 8.76 4.26 0.00 1.97 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 2.27 2.28 0.00 90 E 8.20 4.41 0.00 2.07 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 2.23 2.24 0.00 91 G 7.99 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 0.00 0.00 0.00 92 R 8.08 4.51 0.00 1.88 1.88 0.00 3.13 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 93 K 8.50 4.47 0.00 1.79 1.36 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.44 7.81 94 I 7.68 4.23 1.75 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 1.32 0.71 0.86 0.00 0.00 95 Y 8.50 5.08 0.00 2.92 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 96 L 9.02 4.46 0.00 1.63 1.62 0.93 0.91 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 97 R 8.50 4.55 0.00 2.00 1.89 0.00 3.38 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 98 P 0.00 4.54 0.00 2.14 2.02 0.00 3.83 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 2.25 2.16 0.00 99 A 8.27 4.27 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.41 3.87 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 1.32 0.87 0.93 0.00 0.00 101 C 8.03 4.11 0.00 2.96 2.83 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 0.00 102 D 9.16 4.43 0.00 2.75 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 0.00 103 K 8.10 4.04 0.00 1.82 1.81 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.51 7.81 104 A 7.99 4.04 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 0.00 105 R 7.80 3.98 0.00 2.10 2.09 0.00 3.11 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 106 Q 7.79 3.96 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.87 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 107 K 7.90 4.10 0.00 1.94 1.87 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.70 7.81 108 Q 7.90 3.93 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 109 Q 7.75 4.11 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.67 0.00 0.00 0.00 0.00 0.00 2.41 2.77 0.00 110 R 7.25 4.23 0.00 1.89 1.98 0.00 3.18 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.89 0.00 111 K 7.38 4.06 0.00 1.84 1.76 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.73 7.81 112 S 8.28 4.57 0.00 3.86 4.01 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 0.00 113 C 9.21 4.22 0.00 2.86 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.42 0.00 2.22 2.15 0.00 3.78 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 115 N 7.29 4.54 0.00 2.65 2.67 0.00 0.00 7.03 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 0.00 116 C 7.92 4.35 0.00 3.13 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 0.00 117 N 7.62 4.90 0.00 2.83 2.87 0.00 0.00 7.30 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 0.00 118 G 7.34 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.80 0.00 2.12 2.17 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 120 L 8.36 4.97 0.00 1.55 1.63 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.77 4.51 0.00 1.83 1.58 0.00 1.51 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.41 7.81 122 L 8.61 4.73 0.00 1.69 1.61 0.95 1.09 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 0.00 123 I 8.39 4.26 2.04 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 1.32 0.43 0.97 0.00 0.00 124 P 0.00 4.90 0.00 2.17 2.05 0.00 3.77 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 125 C 8.22 4.64 0.00 3.06 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 0.00 126 R 7.22 6.03 0.00 2.13 2.10 0.00 3.10 0.00 0.00 3.23 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.29 0.00 127 G 7.54 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 0.00 0.00 0.00 128 H 8.58 4.87 0.00 3.11 3.35 0.00 5.76 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 10.20 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 0.00 0.00 0.00 130 G 8.75 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 F 8.94 4.82 0.00 3.02 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 0.00 132 P 0.00 4.53 0.00 1.99 2.39 0.00 3.84 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.30 0.00 133 V 8.63 3.76 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 0.73 0.00 0.00 0.65 0.00 0.00 134 T 8.32 5.05 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 1.23 0.00 0.00 135 N 8.52 5.32 0.00 2.76 2.68 0.00 0.00 7.13 8.85 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 0.00 136 F 7.99 5.01 0.00 2.85 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 0.00 137 W 9.73 5.27 0.00 3.31 3.39 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 0.00 138 R 8.92 5.09 0.00 1.92 1.83 0.00 3.07 0.00 0.00 3.01 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.75 0.00 139 H 9.18 5.22 0.00 3.39 3.31 0.00 5.73 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 0.00 140 D 9.07 4.94 0.00 2.39 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 G 7.84 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 0.00 142 R 8.47 3.46 0.00 1.43 0.66 0.00 3.09 0.00 0.00 3.31 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.43 0.00 143 F 7.08 5.30 0.00 3.12 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 0.00 144 I 8.60 5.20 2.29 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 1.53 0.90 1.49 0.00 0.00 145 F 9.82 4.53 0.00 3.13 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 0.00 146 F 8.29 4.60 0.00 2.52 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 0.00 0.00 0.00 0.00 147 Q 6.35 4.77 0.00 1.92 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.43 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 148 S 8.61 5.10 0.00 3.92 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 0.00 149 K 9.61 3.85 0.00 1.66 1.38 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.28 7.81 150 G 5.38 3.42 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 0.00 151 E 8.43 5.13 0.00 2.06 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 2.50 0.00 152 H 8.43 4.03 0.00 2.53 2.32 0.00 5.74 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 D 8.06 4.87 0.00 2.79 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 0.00 154 H 7.31 4.64 0.00 3.30 3.35 0.00 5.73 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 P 0.00 4.30 0.00 1.43 1.95 0.00 3.95 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 156 R 7.93 3.59 0.00 1.07 0.75 0.00 2.21 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.03 0.00 157 P 0.00 4.86 0.00 2.20 2.26 0.00 3.71 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 158 E 8.10 4.54 0.00 2.07 1.97 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 2.41 2.61 0.00 159 T 8.42 4.12 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 1.05 0.00 0.00 160 K 8.91 3.77 0.00 1.78 1.80 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.52 7.81 161 L 7.80 3.98 0.00 1.81 1.77 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 162 E 7.99 4.09 0.00 2.11 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 2.43 2.46 0.00 163 A 8.76 4.10 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 0.00 164 E 8.44 3.95 0.00 2.14 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 2.30 2.33 0.00 165 A 7.67 4.05 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 0.00 166 R 8.09 3.97 0.00 2.06 1.93 0.00 3.28 0.00 0.00 3.11 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 167 R 7.94 3.96 0.00 1.78 2.00 0.00 3.28 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 168 A 7.81 4.44 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 0.00 169 M 7.47 4.82 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.45 0.00 170 K 8.53 4.11 0.00 1.85 1.89 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.41 7.81 *171 K 7.78 4.11 0.00 1.54 1.66 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.