NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.2015 8.2048 117.5921 55.3833 32.4543 174.9492 2 L 4.3326 8.3839 119.7725 54.7993 43.6609 174.1091 3 A 4.5367 7.2649 119.2897 50.3635 22.9836 174.6310 4 D 4.8544 8.1651 116.5439 50.8052 43.6750 176.5345 5 K 3.9722 8.5884 121.9010 59.8862 32.1060 178.8060 6 E 3.9190 8.2194 118.2041 59.6286 29.4606 179.5827 7 S 4.0887 9.5615 115.2720 61.2860 63.0116 176.5260 8 L 3.9175 8.0381 122.5901 57.7344 41.3470 179.4321 9 I 3.7338 8.2899 120.0751 64.1319 36.8175 178.0923 10 E 3.8243 8.3815 120.0789 59.1765 29.4961 178.7549 11 A 3.8340 8.0172 120.6301 55.2274 18.5133 179.3989 12 L 3.8753 8.3340 117.7747 58.0424 41.4843 179.8808 13 K 3.9376 8.0225 118.4691 59.2278 32.2409 178.2942 14 L 3.9561 7.5731 120.5803 57.6632 41.7435 178.6682 15 A 3.9568 8.0540 120.4688 54.4464 18.3839 178.7990 16 L 4.2460 7.6589 116.0064 54.8945 42.6166 177.5853 17 S 4.2987 7.2230 115.5460 57.9623 63.4660 175.4433 18 T 4.3526 8.4645 112.7761 63.4274 68.6578 175.1489 19 E 4.1248 7.9457 120.6892 59.3616 29.6730 177.3770 20 Y 4.3875 8.1463 113.8158 57.9436 39.1285 174.6162 21 N 4.8769 8.4800 118.7172 51.0040 39.5915 173.6558 22 V 3.8443 8.0617 123.8098 62.3673 32.4187 174.8977 23 K 4.3249 8.2315 123.3791 55.1355 33.0480 175.5821 24 R 4.7145 7.9901 123.0197 54.5019 33.1792 175.1345 25 N 4.8184 8.6581 113.6515 53.2256 38.6196 175.1009 26 F 4.6916 7.1826 110.9650 56.3359 40.6909 174.0033 27 T 3.9789 8.5094 118.9035 62.8396 67.7718 174.8485 28 Q 4.2131 8.3295 126.3139 56.1281 30.4461 175.7484 29 S 5.2772 9.4809 116.7443 57.1719 66.4203 173.3944 30 V 4.8597 8.8955 121.4410 61.2893 34.0617 174.1600 31 E 5.1923 9.4544 125.9049 54.5043 33.6261 174.4224 32 I 4.6382 8.6627 122.9640 59.3611 40.8255 174.3029 33 I 5.0268 9.1215 129.9118 59.7438 40.6126 174.1788 34 L 5.1331 9.2169 128.6157 53.0526 43.8521 176.0528 35 T 4.8442 8.2414 114.1653 60.0422 71.5775 173.5627 36 F 5.5691 8.9374 121.3075 55.7262 42.8279 174.3322 37 K 4.5340 9.7380 121.9408 54.6380 35.3653 175.6458 38 G 4.0002 8.2838 106.7277 46.7149 0.0000 173.1448 39 I 4.2891 7.6432 118.0967 58.8123 40.1594 174.3103 40 D 4.6054 8.8488 127.5207 52.9741 42.4806 176.6277 *42 K 4.1797 8.2763 118.3736 56.1060 33.8153 175.9512 43 K 4.3701 7.9513 118.1476 55.6355 32.9293 175.9391 44 G 3.9289 8.2149 104.4008 47.4552 0.0000 175.1233 45 D 4.4469 8.2657 121.7971 56.4146 41.3424 176.8505 46 L 4.5126 7.3169 119.4068 53.7393 42.1328 177.1088 47 K 4.2575 7.9695 120.2196 55.5955 32.2089 174.9319 48 L 4.9802 8.0764 126.1683 52.2711 45.5116 176.0389 49 R 5.0377 7.6811 117.2020 56.3395 31.7675 173.9019 50 E 4.7335 8.5966 121.5398 55.0134 32.3598 177.1693 51 I 4.6057 8.4705 125.4279 60.6299 38.3355 175.4184 52 V 4.2546 8.7968 127.9628 60.2903 33.7948 172.7963 53 P 4.6705 0.0000 0.0000 61.3917 31.8166 176.6665 54 L 4.1842 8.6684 126.2913 53.9095 42.1931 175.6700 55 P 4.2508 0.0000 0.0000 64.5685 31.4778 176.3080 56 K 4.3675 8.5769 118.4792 53.9724 32.6596 175.6843 57 Q 3.9375 8.6973 125.0946 56.1224 29.0791 175.0666 58 P 4.7020 0.0000 0.0000 61.9249 32.4035 176.8736 59 S 4.2653 8.3278 113.0809 58.9426 63.3594 173.9817 60 K 4.4321 7.4886 122.7325 54.3983 33.5579 175.1915 61 A 4.4041 8.4506 129.6133 51.5271 19.2885 176.8026 62 K 4.1876 8.9709 123.0242 56.1833 33.1157 177.3542 63 R 4.0446 9.0712 124.1606 56.3038 31.1462 175.6444 64 V 4.6786 8.4224 124.1643 60.8510 34.6230 173.6131 65 L 5.1270 8.6735 129.9965 53.4188 44.1981 175.0892 66 V 4.8141 8.6953 125.3476 61.2321 35.1227 174.3454 67 V 5.3305 9.2978 128.3178 58.8171 32.1667 173.7106 68 P 5.3824 0.0000 0.0000 60.9639 30.6606 178.5107 69 S 4.6322 8.6333 110.1205 55.7157 66.3908 174.7355 70 S 4.0062 8.5900 118.5901 61.9771 62.2807 176.1303 71 E 4.0943 8.2197 118.9033 60.0763 29.1044 179.3108 72 Q 4.4917 8.1185 118.8360 57.5995 28.7259 178.3844 73 L 3.9228 8.2378 122.7091 58.5665 42.0813 179.0469 74 E 3.8949 7.9809 117.5804 59.6059 29.0708 178.8669 75 Y 4.2545 7.6213 116.0621 60.8579 37.7231 178.2584 76 A 4.0990 8.3881 121.6953 55.1180 18.8281 179.5133 77 K 4.0840 8.1434 117.0802 59.3922 31.8343 179.6700 78 K 3.9739 7.8744 117.8270 59.4425 32.1708 178.8716 79 A 4.1063 7.7261 118.5026 52.3486 19.4885 177.0760 80 S 3.6332 7.7901 111.4214 58.7660 62.0651 169.4106 81 P 4.5560 0.0000 0.0000 62.3888 32.6726 177.0231 82 K 4.2449 8.4692 121.0214 59.7007 32.5891 177.5294 83 V 4.4557 7.4591 116.5905 60.5604 34.5090 172.5220 84 V 4.8134 8.4628 123.2643 61.2937 33.5835 174.4806 85 I 4.7077 8.6904 129.6503 59.4718 39.5285 175.9991 86 T 4.3255 10.3172 118.6711 60.9703 69.6539 175.5681 87 R 3.9546 8.4434 121.1837 59.4123 29.8206 178.3418 88 E 4.0026 8.0859 118.2668 59.3797 29.3647 178.8860 89 E 3.9835 8.0015 117.7413 59.0665 29.7702 178.8680 90 L 4.1051 7.9397 120.5412 58.2428 42.1893 178.8806 91 Q 4.0188 7.8662 117.5911 59.1443 28.5121 179.2328 92 K 4.1283 7.6123 117.5690 58.7875 32.2746 178.8741 93 L 4.5001 7.9265 120.8379 55.1421 41.5431 176.8162 94 Q 4.0515 7.2067 119.9587 57.9718 29.2046 176.3179 95 G 4.0535 9.0276 113.4089 45.9943 0.0000 174.2764 96 Q 4.2716 8.1771 119.7802 54.0760 27.2916 176.2969 97 K 3.8845 8.3677 124.1846 59.5968 32.3330 178.0268 98 R 3.8565 7.9524 117.7744 59.1372 29.9946 176.3945 99 P 4.2213 0.0000 0.0000 65.6186 31.3208 178.7869 100 V 3.5758 7.5702 116.7883 66.0747 31.5021 178.2718 101 K 3.9583 8.2422 118.2394 59.1584 31.7910 179.5132 102 K 3.9450 8.2948 119.0186 59.5483 31.8394 179.1111 103 L 4.0372 7.9501 117.7083 58.1089 41.6774 179.3848 104 A 4.3228 8.1817 119.6472 54.9275 18.3197 179.2356 105 R 4.1453 7.9149 116.7764 58.5915 30.3295 177.4697 106 Q 4.5127 8.2107 115.8452 55.2041 29.9965 174.9696 107 N 4.8263 7.3821 116.0810 52.4114 42.5515 174.2001 108 E 3.8647 8.6089 121.9488 57.4980 30.6423 176.9611 109 W 4.9589 7.3745 117.4632 54.6682 33.6684 175.0200 110 F 5.1244 8.9165 120.7944 55.8945 41.7598 173.8593 111 L 5.0248 9.0276 125.8675 53.4825 43.0512 175.9442 112 I 4.9758 8.3705 125.3203 58.9725 40.2384 175.1922 113 N 4.6452 9.0627 125.6631 53.5466 39.4932 175.7161 114 Q 3.9841 8.8921 125.6191 58.8116 29.2890 177.4761 115 E 4.1426 8.1447 114.3162 57.8935 30.3086 176.9607 116 S 4.4312 7.9791 117.0181 56.4817 62.7390 173.9375 *118 A 4.2395 8.1459 127.1295 51.8828 20.7873 178.9661 119 L 3.9076 7.9986 116.3332 58.3565 42.1854 178.8529 120 A 4.1071 8.4936 121.2171 55.2364 18.4058 179.8855 121 G 3.7116 8.0549 103.6665 47.8035 0.0000 175.9567 122 R 4.0374 7.6325 119.1524 58.7250 30.3262 178.5849 123 I 3.9901 7.7112 118.4877 63.6231 37.6780 177.5193 124 L 4.3919 8.3230 119.4467 56.4095 42.1104 178.6508 125 G 4.2628 8.2906 106.4019 46.9976 0.0000 173.4454 126 P 4.1534 0.0000 0.0000 64.2672 31.8063 176.8775 127 A 4.3621 7.9851 121.6284 53.5770 20.1008 179.4268 128 L 3.7229 7.7668 115.8992 57.7958 41.9293 178.8347 129 G 3.8595 7.9784 107.4864 48.6664 0.0000 173.6580 130 P 4.2627 0.0000 0.0000 64.7406 31.4228 177.2640 131 R 4.1743 7.3560 114.2768 55.8795 29.8644 177.3004 132 G 3.8972 8.1899 105.9543 45.7181 0.0000 173.8802 133 K 4.1544 7.4213 119.4338 54.8862 34.0819 174.9652 134 F 4.7012 7.2192 112.8228 55.8243 39.7522 171.2172 135 P 5.3111 0.0000 0.0000 61.9426 33.1056 174.9621 136 T 4.9961 9.2871 112.4543 59.1079 71.7794 171.4858 137 P 5.0200 0.0000 0.0000 62.9839 32.1428 175.9480 138 L 4.2785 8.4152 122.6404 53.2968 42.8278 175.1959 139 P 4.2925 0.0000 0.0000 62.3968 31.8526 176.7783 140 N 4.4738 8.4144 116.8548 54.8480 38.7822 175.6411 141 T 4.0870 7.4977 108.2724 61.2718 69.6786 174.2016 142 A 4.1522 8.4031 123.2066 54.5933 19.1540 176.9846 143 D 3.6664 7.5423 117.1656 53.8936 40.7097 175.4981 144 I 4.3079 8.1539 127.4613 62.3829 38.8713 179.1371 145 S 4.0762 7.8281 117.2023 61.2721 62.5055 176.2362 146 E 3.9220 8.2181 121.7024 59.3185 29.5174 177.7489 147 Y 4.0998 8.1795 119.5979 60.9253 38.7571 178.2351 148 I 3.7499 7.9666 119.9099 64.6890 37.0893 177.8233 149 N 4.2873 8.1512 115.8591 56.3482 38.7773 176.9572 150 R 3.8826 8.2904 120.2705 59.6768 30.1562 178.7111 151 F 3.4636 7.9735 117.0191 59.7816 38.7423 177.5383 152 K 4.5396 8.3962 118.2892 57.9471 31.6131 177.8528 153 R 4.8641 7.8002 115.6876 55.7566 30.1965 174.3560 154 S 5.2004 8.1179 114.1249 57.7661 65.6794 173.8110 155 V 4.7883 8.8913 116.5185 59.6764 35.1587 174.3170 156 L 5.1458 8.6219 124.8367 54.0218 43.4093 176.2017 157 V 4.4421 9.1658 128.4963 61.3244 31.8393 174.3904 158 K 5.2549 8.5258 125.4789 55.0700 36.0063 175.4161 159 T 4.5386 8.5348 110.3004 60.2201 71.2717 171.8198 160 K 4.4882 8.9861 119.9902 57.2393 34.9605 176.7504 161 D 4.7986 7.7929 114.6538 53.4804 40.9135 174.7149 162 Q 4.6815 7.8880 117.5605 53.8217 32.5187 174.4521 163 P 4.9862 0.0000 0.0000 62.2069 29.6482 174.8701 164 Q 5.2323 7.8239 115.5333 55.8994 32.7451 175.2746 165 V 4.5071 9.3046 119.7038 61.3400 34.5520 174.0786 166 Q 5.1894 8.9193 126.6704 54.2268 31.0784 175.1605 167 V 4.6280 8.7619 123.4255 60.8539 35.7795 173.9151 168 F 4.6218 9.0154 128.6841 58.3093 39.4569 174.6341 169 I 4.0228 9.4440 125.9679 60.7107 39.3858 175.4783 170 G 3.6968 5.3800 107.3959 44.5118 0.0000 172.2603 171 T 4.8485 7.9429 110.0208 59.8014 70.6781 175.1688 172 E 3.9336 8.6714 120.0641 57.8214 30.3979 177.0551 173 D 4.5283 7.1562 121.9776 52.1978 38.8644 176.8654 *175 K 4.0594 7.5027 118.2939 56.1986 34.0032 175.6914 176 P 4.1694 0.0000 0.0000 66.0182 31.1432 178.5210 177 E 3.9392 8.1156 116.5728 59.5253 29.4755 179.0111 178 D 4.3116 8.1372 118.7790 57.4135 40.8704 178.7743 179 L 3.9312 7.9065 118.7359 57.7902 41.6598 179.2675 180 A 3.9746 8.3161 121.0310 55.1487 18.2902 179.3437 181 E 3.9049 8.1256 117.8619 59.4688 29.6428 178.8451 182 N 4.3685 8.3338 116.4482 56.0628 38.5458 177.1325 183 A 3.9748 8.3670 122.7174 55.1952 18.2930 179.7174 184 I 3.6009 7.7808 117.9140 64.4263 37.2383 178.2303 185 A 4.1637 7.8805 121.5234 55.3050 18.2395 179.7839 186 V 3.5600 7.9650 116.5182 66.1877 31.6383 178.0039 187 L 4.0337 8.2934 119.0333 58.1994 41.5467 179.4247 188 N 4.5467 9.1629 117.1037 56.2995 38.1923 177.3512 189 A 4.0877 7.8592 121.4439 54.7649 18.6792 179.6699 190 I 3.8373 7.5688 118.2034 64.5672 37.3096 178.0214 191 E 4.1044 8.0132 120.6626 59.0345 29.1935 178.9102 192 N 4.2075 7.9191 115.1543 56.3716 38.9553 175.6671 193 K 4.2998 7.5611 117.7673 55.5187 32.8746 175.9209 194 A 4.2063 7.2115 118.1627 51.9938 22.4714 175.9274 195 K 4.3524 8.6425 122.9351 55.6428 30.9172 177.0338 196 V 4.9100 7.6557 119.7382 59.7368 32.7642 178.2166 197 E 4.0448 8.4952 123.4124 59.2432 29.8135 177.8461 198 T 4.1816 7.8359 108.0297 64.1122 69.5061 175.4181 199 N 4.5838 8.1549 118.4070 54.5283 39.1129 174.6944 200 L 4.4070 7.6844 121.1729 55.7059 42.6575 175.7732 201 R 4.4883 8.4878 124.7549 57.6610 31.5690 176.0031 202 N 4.7523 7.4687 112.4197 52.2760 44.1080 173.4008 203 I 4.9500 7.7007 119.7679 60.0286 40.9773 174.3254 204 Y 5.2685 9.3005 124.7237 56.3787 41.3612 175.2580 205 V 5.6256 8.6207 113.6886 58.8681 36.5506 174.6135 206 K 4.6846 8.1193 120.2947 56.7965 35.1462 173.9689 207 T 4.8006 8.0055 111.1522 60.7143 70.8415 175.7270 208 T 4.3344 7.9707 118.9831 65.1805 69.3138 173.8284 *210 G 3.9366 7.7591 107.7508 45.6651 0.0000 172.7341 211 K 4.4837 8.8860 119.5118 55.8782 32.6677 177.7094 212 A 4.4505 8.6341 125.4910 52.0939 19.6024 176.9864 213 V 4.4729 8.7953 121.0653 60.8206 34.3018 175.0899 214 K 4.4405 8.7840 127.6772 56.3054 32.8313 176.6915 215 V 3.9764 8.2118 124.9919 61.9328 32.2407 176.1685 216 K 4.2483 8.5008 126.8675 56.4287 32.9625 176.9857 217 R 4.1181 8.0966 120.2807 56.8432 30.0643 174.6936 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 8.20 5.20 0.00 2.14 2.32 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 2 L 8.38 4.33 0.00 1.75 1.78 1.02 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 3 A 7.26 4.54 1.19 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 0.00 0.00 4 D 8.17 4.85 0.00 2.91 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 5 K 8.59 3.97 0.00 1.80 1.91 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.57 7.81 6 E 8.22 3.92 0.00 2.17 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 7 S 9.56 4.09 0.00 3.98 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 8 L 8.04 3.92 0.00 1.86 1.72 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.29 3.73 1.97 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 1.38 0.80 0.93 0.00 0.00 10 E 8.38 3.82 0.00 2.05 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 2.24 2.28 0.00 11 A 8.02 3.83 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 12 L 8.33 3.88 0.00 1.64 1.69 0.88 0.55 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 13 K 8.02 3.94 0.00 1.93 1.78 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.41 7.81 14 L 7.57 3.96 0.00 1.68 1.47 0.79 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.05 3.96 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 16 L 7.66 4.25 0.00 1.62 1.70 0.88 0.92 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 17 S 7.22 4.30 0.00 3.98 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 18 T 8.46 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 1.21 0.00 0.00 19 E 7.95 4.12 0.00 2.17 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 2.44 2.37 0.00 20 Y 8.15 4.39 0.00 3.15 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 21 N 8.48 4.88 0.00 2.90 2.82 0.00 0.00 6.69 8.57 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 22 V 8.06 3.84 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 0.81 0.00 0.00 0.92 0.00 0.00 23 K 8.23 4.32 0.00 1.73 1.65 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.36 7.81 24 R 7.99 4.71 0.00 1.42 1.81 0.00 3.40 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.50 0.00 25 N 8.66 4.82 0.00 2.85 2.92 0.00 0.00 6.69 7.45 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 26 F 7.18 4.69 0.00 3.13 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 27 T 8.51 3.98 4.30 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 0.00 0.00 0.00 1.31 0.00 0.00 28 Q 8.33 4.21 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.62 0.00 0.00 0.00 0.00 0.00 1.61 1.92 0.00 29 S 9.48 5.28 0.00 3.93 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 106 Q 8.21 4.51 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.38 0.00 0.00 0.00 0.00 0.00 2.50 2.36 0.00 107 N 7.38 4.83 0.00 2.52 1.96 0.00 0.00 7.10 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 0.00 108 E 8.61 3.86 0.00 1.48 1.12 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 1.98 1.99 0.00 109 W 7.37 4.96 0.00 3.13 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 0.00 110 F 8.92 5.12 0.00 2.97 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 0.00 111 L 9.03 5.02 0.00 1.57 1.62 0.81 -0.25 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 0.00 112 I 8.37 4.98 1.92 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.67 0.95 0.00 0.00 113 N 9.06 4.65 0.00 3.00 2.69 0.00 0.00 6.58 7.87 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 0.00 114 Q 8.89 3.98 0.00 2.04 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 115 E 8.14 4.14 0.00 2.12 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 2.28 2.33 0.00 116 S 7.98 4.43 0.00 3.88 3.84 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 *118 A 8.15 4.24 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 0.00 119 L 8.00 3.91 0.00 1.77 1.85 0.92 0.98 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 0.00 120 A 8.49 4.11 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 0.00 121 G 8.05 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 0.00 0.00 0.00 122 R 7.63 4.04 0.00 1.77 1.99 0.00 3.16 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.98 0.00 123 I 7.71 3.99 1.86 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 1.52 0.61 0.90 0.00 0.00 124 L 8.32 4.39 0.00 1.65 1.44 0.97 0.84 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 0.00 125 G 8.29 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 0.00 0.00 0.00 0.00 126 P 0.00 4.15 0.00 2.16 2.20 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 127 A 7.99 4.36 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 0.00 128 L 7.77 3.72 0.00 1.66 1.53 0.22 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 129 G 7.98 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 0.00 130 P 0.00 4.26 0.00 2.18 2.20 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 131 R 7.36 4.17 0.00 1.98 1.96 0.00 3.32 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 132 G 8.19 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 0.00 133 K 7.42 4.15 0.00 1.66 1.68 0.00 1.88 0.00 0.00 2.04 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.19 1.46 7.81 134 F 7.22 4.70 0.00 3.13 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 0.00 135 P 0.00 5.31 0.00 2.18 2.10 0.00 3.89 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 136 T 9.29 5.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 137 P 0.00 5.02 0.00 2.10 2.12 0.00 3.87 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 138 L 8.42 4.28 0.00 1.51 1.53 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 139 P 0.00 4.29 0.00 1.81 1.75 0.00 3.19 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.21 0.00 140 N 8.41 4.47 0.00 2.67 2.84 0.00 0.00 6.97 7.54 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 0.00 141 T 7.50 4.09 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 1.15 0.00 0.00 142 A 8.40 4.15 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 0.00 143 D 7.54 3.67 0.00 1.75 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 0.00 0.00 0.00 0.00 144 I 8.15 4.31 1.96 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.06 1.03 0.00 0.00 145 S 7.83 4.08 0.00 4.15 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 0.00 146 E 8.22 3.92 0.00 2.10 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 2.39 2.45 0.00 147 Y 8.18 4.10 0.00 3.13 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.97 3.75 2.10 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.77 0.96 0.00 0.00 149 N 8.15 4.29 0.00 2.86 2.90 0.00 0.00 7.05 7.87 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 0.00 150 R 8.29 3.88 0.00 1.73 1.78 0.00 2.22 0.00 0.00 2.59 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.43 0.00 151 F 7.97 3.46 0.00 3.10 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 0.00 152 K 8.40 4.54 0.00 1.99 1.88 0.00 1.73 0.00 0.00 1.86 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.74 7.81 153 R 7.80 4.86 0.00 1.99 2.08 0.00 2.72 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.59 0.00 154 S 8.12 5.20 0.00 3.26 3.32 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 0.00 155 V 8.89 4.79 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 1.09 0.00 0.00 1.14 0.00 0.00 156 L 8.62 5.15 0.00 1.55 1.53 1.46 0.89 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 0.00 157 V 9.17 4.44 2.18 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 1.03 0.00 0.00 1.03 0.00 0.00 158 K 8.53 5.25 0.00 1.99 1.86 0.00 1.65 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.45 7.81 159 T 8.53 4.54 4.29 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 1.39 0.00 0.00 160 K 8.99 4.49 0.00 1.72 1.75 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.32 1.40 7.81 161 D 7.79 4.80 0.00 2.78 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 0.00 162 Q 7.89 4.68 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.76 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 163 P 0.00 4.99 0.00 2.47 2.33 0.00 3.73 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.03 0.00 164 Q 7.82 5.23 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 165 V 9.30 4.51 2.29 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 1.02 0.00 0.00 1.14 0.00 0.00 166 Q 8.92 5.19 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.54 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 167 V 8.76 4.63 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 1.16 0.00 0.00 1.02 0.00 0.00 168 F 9.02 4.62 0.00 3.14 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 0.00 169 I 9.44 4.02 1.72 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 1.09 0.82 0.73 0.00 0.00 170 G 5.38 3.70 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 0.00 0.00 0.00 171 T 7.94 4.85 4.29 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 1.40 0.00 0.00 172 E 8.67 3.93 0.00 2.05 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 2.49 2.19 0.00 173 D 7.16 4.53 0.00 2.66 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 *175 K 7.50 4.06 0.00 2.08 2.02 0.00 1.82 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.46 7.81 176 P 0.00 4.17 0.00 2.12 2.10 0.00 3.58 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.18 0.00 177 E 8.12 3.94 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 178 D 8.14 4.31 0.00 2.82 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 0.00 179 L 7.91 3.93 0.00 1.77 1.65 0.86 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 180 A 8.32 3.97 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 0.00 181 E 8.13 3.90 0.00 2.05 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 2.30 2.34 0.00 182 N 8.33 4.37 0.00 2.88 2.84 0.00 0.00 6.88 6.54 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 0.00 183 A 8.37 3.97 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 0.00 184 I 7.78 3.60 2.06 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 1.70 1.09 0.95 0.00 0.00 185 A 7.88 4.16 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 0.00 186 V 7.97 3.56 2.25 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 1.09 0.00 0.00 1.00 0.00 0.00 187 L 8.29 4.03 0.00 1.96 1.74 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 188 N 9.16 4.55 0.00 2.87 2.88 0.00 0.00 6.97 7.03 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 0.00 189 A 7.86 4.09 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 0.00 190 I 7.57 3.84 2.07 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 1.60 0.89 0.94 0.00 0.00 191 E 8.01 4.10 0.00 2.04 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 2.39 0.00 192 N 7.92 4.21 0.00 2.85 3.04 0.00 0.00 7.18 6.13 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 0.00 193 K 7.56 4.30 0.00 1.94 1.79 0.00 1.78 0.00 0.00 1.80 0.00 0.00 3.16 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.58 1.47 7.81 194 A 7.21 4.21 1.14 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 0.00 0.00 195 K 8.64 4.35 0.00 1.74 1.79 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.44 7.81 196 V 7.66 4.91 1.70 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 0.89 0.00 0.00 0.72 0.00 0.00 197 E 8.50 4.04 0.00 1.95 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 2.32 2.33 0.00 198 T 7.84 4.18 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 1.23 0.00 0.00 199 N 8.15 4.58 0.00 2.97 3.25 0.00 0.00 6.79 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 0.00 200 L 7.68 4.41 0.00 1.98 1.80 0.88 0.69 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 0.00 201 R 8.49 4.49 0.00 1.72 1.91 0.00 3.28 0.00 0.00 3.24 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 202 N 7.47 4.75 0.00 2.45 1.88 0.00 0.00 6.87 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 0.00 203 I 7.70 4.95 1.75 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 1.25 0.73 0.87 0.00 0.00 204 Y 9.30 5.27 0.00 2.81 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 0.00 205 V 8.62 5.63 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 0.76 0.00 0.00 0.90 0.00 0.00 206 K 8.12 4.68 0.00 1.80 1.91 0.00 1.66 0.00 0.00 1.86 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.33 7.81 207 T 8.01 4.80 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 1.22 0.00 0.00 208 T 7.97 4.33 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 1.41 0.00 0.00 *210 G 7.76 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 0.00 0.00 0.00 211 K 8.89 4.48 0.00 1.74 1.78 0.00 1.39 0.00 0.00 1.59 0.00 0.00 2.70 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.44 1.48 7.81 212 A 8.63 4.45 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 0.00 213 V 8.80 4.47 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 0.82 0.00 0.00 0.80 0.00 0.00 214 K 8.78 4.44 0.00 1.60 1.52 0.00 1.75 0.00 0.00 1.45 0.00 0.00 2.73 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.77 1.42 7.81 215 V 8.21 3.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.89 0.00 0.00 216 K 8.50 4.25 0.00 1.75 1.68 0.00 2.10 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.40 1.37 7.81 217 R 8.10 4.12 0.00 1.66 1.68 0.00 3.41 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 * Residues marked with a * may have inaccurate shift predictions.