NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1456 8.1627 120.2809 54.8180 33.2561 173.9009 2 K 3.9604 8.4444 128.0409 55.7975 32.5155 175.1182 3 G 3.9547 8.7387 115.9819 45.2240 0.0000 171.5259 4 D 4.5783 8.5005 119.6902 54.3957 42.0493 177.2179 5 T 3.8830 8.7957 122.6268 66.7725 68.6232 176.8576 6 K 3.8618 8.1727 121.0185 59.0550 32.2291 178.8938 7 V 3.9036 8.6099 119.0350 66.1752 31.4486 177.8765 8 I 3.7499 7.6919 119.1886 64.6954 36.9035 178.0893 9 N 4.2605 8.2115 117.0334 56.4642 38.3060 177.0628 10 Y 4.0928 7.9755 118.0151 61.1376 37.9738 178.6530 11 L 3.9341 8.5412 120.2418 57.9114 41.6325 179.4146 12 N 4.3494 8.5412 116.8590 56.0194 38.4222 177.4695 13 K 3.8808 8.1518 121.3109 59.2944 32.3133 178.9141 14 L 3.7957 8.1607 119.7092 57.5935 41.3878 178.9692 15 L 4.0153 7.7609 120.7590 58.3296 42.0209 179.2525 16 G 3.6250 8.1671 105.5657 47.9618 0.0000 175.3500 17 N 4.3850 8.0386 118.7749 56.1595 38.5802 177.4280 18 E 4.1128 8.2626 119.9912 59.3740 29.4517 179.3161 19 L 4.0518 8.2699 119.3755 57.6785 41.5846 179.7518 20 V 3.5721 7.7608 117.6108 66.0608 31.5027 177.9597 21 A 3.8314 8.1041 120.4334 55.0027 18.1981 179.3424 22 I 3.7595 8.3680 118.7360 64.9890 37.2812 178.3835 23 N 4.3982 7.9125 117.0028 56.3884 38.3989 177.4397 24 Q 3.8505 8.2823 121.1709 59.3207 29.0945 177.8403 25 Y 4.3488 8.3996 118.3337 60.8993 37.9017 178.1647 26 F 3.8368 8.5174 121.6727 61.0633 39.5141 176.8000 27 L 3.9487 8.1456 119.9582 58.5858 41.8420 178.4324 28 H 3.7836 8.1752 115.7306 58.8262 28.6067 177.2416 29 A 4.1425 8.3163 122.6814 55.6818 18.1408 179.8938 30 R 3.8347 7.8090 115.5160 58.6383 30.0615 179.2584 31 M 3.4342 7.8585 119.4126 58.1252 31.8514 178.4803 32 F 4.5531 7.4402 117.8879 60.5474 39.1243 177.5471 33 K 3.9043 8.2612 119.2888 59.5794 31.7586 178.1652 34 N 4.2813 7.9097 115.8928 56.5887 39.0160 176.4635 35 W 4.7394 7.9881 117.7912 57.6301 29.4979 177.2250 36 G 3.9806 8.3361 108.0223 46.2136 0.0000 174.2777 37 L 4.6520 8.0467 121.8618 52.7479 38.2087 177.0416 38 K 3.8232 7.9513 123.0090 59.9100 32.6383 177.5429 39 R 3.9383 8.3085 118.9418 59.1330 29.9114 178.3317 40 L 4.1064 7.9021 118.8333 57.0313 41.5453 178.8067 41 N 4.5313 8.1529 116.8466 56.8182 39.0486 176.3914 42 D 4.3290 7.9863 120.1914 57.3950 40.9627 179.0980 43 V 3.4376 7.6686 118.3216 66.1435 31.5052 177.9994 44 E 3.9086 8.4817 118.5294 59.2458 29.2836 178.6445 45 Y 3.8782 8.1763 119.7661 61.1896 38.7948 178.1449 46 H 4.2005 8.3296 116.4456 58.3398 28.6994 177.5027 47 E 3.7093 7.8202 120.7523 58.4966 29.2115 178.8128 48 S 4.1078 7.8551 113.5341 61.5718 62.4332 176.2378 49 I 3.5747 7.3584 122.2696 64.3679 36.7957 177.9298 50 D 4.2643 7.6725 119.4797 57.7199 40.6618 179.0501 51 E 4.1915 8.1809 118.6739 59.4312 29.3382 179.3613 52 M 4.0708 8.0391 118.9771 58.3737 32.0281 178.8394 53 K 3.9303 8.1658 118.6589 59.6931 32.1903 179.1156 54 H 4.0974 8.1609 116.1898 58.7942 28.5879 177.5397 55 A 4.2354 8.4300 122.9359 55.3586 18.1685 179.0385 56 D 4.2973 8.3074 116.4869 57.7149 41.2771 178.7693 57 R 3.8730 7.9279 118.4093 59.4285 30.0211 178.7067 58 Y 4.2902 7.8472 116.4410 61.2010 37.9030 178.6162 59 I 3.7989 8.2379 121.0618 64.6182 37.2375 178.4427 60 E 4.0827 8.4927 119.4889 59.1067 29.1818 179.4844 61 R 4.0246 8.0586 118.9268 59.5366 30.1811 178.3759 62 I 3.7667 8.4226 119.9632 64.6703 37.1706 178.3953 63 L 4.0215 8.0636 119.5652 57.7271 41.2110 179.4011 64 F 4.3617 8.1405 119.6898 61.2202 39.6954 176.5334 65 L 4.3919 8.1942 117.7703 54.0574 41.1273 177.1747 66 E 3.9129 7.9749 117.6284 57.4453 27.0075 174.4366 67 G 3.9737 8.1234 108.6573 43.9946 0.0000 173.6100 68 L 4.5335 8.0208 119.1565 52.0062 42.0450 175.0847 69 P 4.3953 0.0000 0.0000 62.5142 31.7873 175.9531 70 N 4.7382 9.4341 122.0995 52.3869 38.9580 173.9332 71 L 4.6415 8.3617 124.2473 54.5711 42.5328 177.3881 72 Q 4.1276 8.5534 121.9914 58.0234 29.3852 175.8592 73 D 4.6433 8.0664 117.3916 52.8692 41.7806 175.2186 74 L 4.5629 8.3117 125.9035 52.7444 43.9058 176.4194 75 G 3.8035 8.4296 115.4619 44.6477 0.0000 171.8554 76 K 4.0814 8.3118 120.7482 55.8067 32.3553 176.6718 77 L 4.0983 8.3374 126.7676 54.5133 42.2608 176.3237 78 N 4.8065 8.8706 120.6214 51.9964 40.1521 174.3741 79 I 3.8421 8.4775 126.4862 64.1129 37.7154 178.2470 80 G 4.1613 8.2621 102.2714 45.8505 0.0000 172.5665 81 E 4.7894 8.5713 115.9332 55.4905 31.8755 176.3263 82 D 5.0266 7.7248 117.7333 50.3775 43.9834 175.9452 83 V 3.9945 8.5379 119.0083 66.7049 31.3074 177.4371 84 E 3.8635 8.2542 117.9052 59.5672 29.4892 178.3228 85 E 3.9899 8.5583 119.2482 59.5478 29.6436 178.7039 86 M 4.1284 8.3731 117.2295 58.2264 31.3606 178.6028 87 L 4.1265 8.5089 120.5564 57.6382 41.7455 179.4020 88 R 3.8884 8.4794 119.1236 59.4260 30.0078 178.5766 89 S 4.0956 8.1769 113.0624 61.3343 62.4292 175.7698 90 D 4.2253 8.1691 121.7048 57.1735 40.5662 178.4914 91 L 3.9925 8.2315 120.6255 58.2939 42.1582 178.8237 92 A 4.0129 8.2421 120.8255 55.1762 18.2465 179.4112 93 L 3.9334 7.9231 118.7214 58.2520 42.0979 179.0759 94 E 4.0647 8.3553 118.6212 59.3606 29.4973 179.2019 95 L 4.0317 8.1139 119.0558 58.1124 41.8182 179.4473 96 D 4.5195 8.3252 118.8879 57.1970 40.7054 179.0941 97 G 3.6446 8.3340 106.2674 47.5444 0.0000 175.7554 98 A 4.0452 8.4955 123.5874 54.6493 18.4850 179.4590 99 K 3.8249 7.9921 118.0278 59.9936 32.2502 178.6665 100 N 4.3924 8.0746 116.2619 56.3614 38.4086 177.4009 101 L 3.9845 8.1340 120.3257 57.8509 41.6148 179.7632 102 R 3.8991 8.2440 118.2071 59.1424 29.9891 178.7706 103 E 3.8446 8.0820 118.5151 59.2855 29.6228 178.7646 104 A 2.8510 7.8813 120.8926 54.7070 18.4149 179.6372 105 I 3.7025 7.9067 118.6021 64.4742 36.9535 178.8632 106 G 3.6083 7.5869 105.2142 47.9241 0.0000 174.8555 107 Y 4.1717 7.9394 122.6104 59.6864 38.8730 177.3933 108 A 3.8186 8.1720 121.9689 55.2064 18.4631 179.0489 109 D 4.0898 7.8957 116.4175 57.3948 41.4398 178.4874 110 S 4.0876 7.7346 113.3197 60.0429 63.5041 175.6145 111 V 3.9649 7.0432 112.5481 61.0525 31.4254 175.7694 112 H 2.8535 7.2785 115.2594 56.6026 26.9829 176.4536 113 D 4.5439 7.3869 121.1563 53.5276 37.5371 176.3071 114 Y 4.3442 7.4367 121.3278 60.6340 38.3931 178.3186 115 V 3.7244 7.8520 119.9855 64.7360 31.8394 178.2973 116 S 4.1598 8.3337 115.8355 61.4728 62.6111 176.7251 117 R 3.8999 8.1004 121.1478 59.4704 29.9680 178.1009 118 D 4.3037 8.3016 117.9520 57.5328 41.3615 177.7245 119 M 3.9953 8.3200 118.9814 59.1064 32.1291 178.1779 120 M 4.1598 8.2091 118.7571 58.3592 32.1019 178.8346 121 I 3.7225 8.1745 120.4858 64.2520 37.3228 178.2187 122 E 3.9604 8.0856 119.1817 59.5666 29.2511 179.5674 123 I 3.5639 7.5397 119.5103 64.1134 37.1180 178.1419 124 L 3.9328 8.1415 121.4472 58.1580 41.9956 179.0101 125 R 3.8999 8.0213 118.5698 59.6440 30.0743 178.2561 126 D 4.3669 8.0295 118.4075 57.3542 40.7738 178.7012 127 E 3.9479 8.3046 119.3382 59.3358 29.4706 178.9123 128 E 4.2075 8.8040 119.9921 59.1287 29.6114 179.1543 129 G 3.6464 7.9609 105.5537 48.0872 0.0000 175.4429 130 H 4.5578 8.1075 118.6898 58.6625 28.6792 177.7558 131 I 3.7934 8.3833 122.0399 64.6094 37.0015 177.7141 132 D 4.3619 8.3039 118.6241 57.3869 41.0041 178.0723 133 F 4.1892 8.3254 120.8815 61.3900 39.4040 177.0130 134 L 3.7326 8.2270 118.4381 57.8318 41.4847 179.3041 135 E 3.9166 8.3528 118.5616 59.7330 29.3272 179.6641 136 T 3.8022 7.9235 115.4918 66.6361 68.5540 176.3588 137 E 3.8670 7.7778 120.3505 59.5888 29.1765 179.5466 138 L 3.8007 7.8585 118.7746 57.9193 41.5539 179.4418 139 D 4.3883 8.1757 118.7970 57.1700 40.6383 178.7349 140 L 3.9728 8.0843 119.7698 57.7990 41.6883 179.3988 141 I 3.4045 7.4704 119.6860 64.6008 36.7561 178.5125 142 Q 3.9775 7.3750 116.1496 58.7738 28.6476 178.4958 143 K 4.1500 8.2246 119.2101 58.8304 32.2640 178.3978 144 M 4.4180 8.3152 114.5180 53.8502 32.5572 177.0325 145 G 4.1268 7.5804 105.9384 46.0452 0.0000 174.4367 146 L 3.9700 8.4392 121.7934 58.0464 42.1603 179.3349 147 Q 3.9934 8.0895 117.4269 59.3459 28.8726 178.7170 148 N 4.3742 8.1490 116.7574 56.3179 38.3710 176.7305 149 Y 3.9881 7.9764 120.2095 60.6067 39.1434 177.8015 150 L 4.0571 8.4435 120.3226 57.9313 41.6464 179.2160 151 Q 3.8908 8.1032 119.1964 59.1133 28.7255 177.8431 152 A 4.1230 7.5177 119.1512 53.5415 18.7030 178.2899 153 Q 4.2172 7.8113 116.0322 55.8369 29.0678 177.7258 154 I 3.9106 7.2238 121.0353 63.1347 37.4012 176.6001 155 R 4.6309 7.5165 117.4577 53.8942 31.9550 175.9391 156 E 4.1099 8.4125 119.1341 56.0335 30.4568 175.8035 157 E 4.1090 8.4973 121.8343 55.2313 30.5159 176.5075 *158 G 3.7274 8.5978 114.1300 45.8884 0.0000 172.1828 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 8.16 4.15 0.00 1.49 1.80 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.43 0.00 2 K 8.44 3.96 0.00 1.84 1.69 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.47 7.81 3 G 8.74 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 4 D 8.50 4.58 0.00 2.77 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.80 3.88 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 1.18 0.00 0.00 6 K 8.17 3.86 0.00 1.71 1.92 0.00 1.44 0.00 0.00 1.08 0.00 0.00 2.50 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.72 1.00 7.81 7 V 8.61 3.90 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 1.05 0.00 0.00 1.17 0.00 0.00 8 I 7.69 3.75 2.04 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 1.55 0.56 0.91 0.00 0.00 9 N 8.21 4.26 0.00 2.59 2.67 0.00 0.00 7.07 6.83 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 10 Y 7.98 4.09 0.00 3.22 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.54 3.93 0.00 2.00 1.77 1.10 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.54 4.35 0.00 2.76 2.82 0.00 0.00 6.66 7.77 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 13 K 8.15 3.88 0.00 1.74 2.00 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.45 1.45 7.81 14 L 8.16 3.80 0.00 0.95 1.13 0.93 0.48 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 15 L 7.76 4.02 0.00 1.70 1.85 1.02 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.17 3.63 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 0.00 0.00 0.00 17 N 8.04 4.39 0.00 2.97 2.91 0.00 0.00 7.04 7.71 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 18 E 8.26 4.11 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.89 0.00 19 L 8.27 4.05 0.00 1.83 1.72 0.95 1.15 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 20 V 7.76 3.57 2.21 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 1.05 0.00 0.00 0.95 0.00 0.00 21 A 8.10 3.83 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 22 I 8.37 3.76 2.06 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 1.56 1.11 0.90 0.00 0.00 23 N 7.91 4.40 0.00 2.84 2.86 0.00 0.00 6.76 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 24 Q 8.28 3.85 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.19 2.11 0.00 25 Y 8.40 4.35 0.00 3.20 3.02 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 26 F 8.52 3.84 0.00 3.42 3.10 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 27 L 8.15 3.95 0.00 1.96 1.59 0.88 0.88 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 28 H 8.18 3.78 0.00 3.50 3.29 0.00 5.71 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.32 4.14 1.30 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 0.00 0.00 0.00 30 R 7.81 3.83 0.00 1.75 1.89 0.00 3.30 0.00 0.00 3.09 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.75 0.00 31 M 7.86 3.43 0.00 0.86 1.52 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.14 0.00 32 F 7.44 4.55 0.00 3.30 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 K 8.26 3.90 0.00 2.07 1.93 0.00 1.55 0.00 0.00 1.48 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.43 7.81 34 N 7.91 4.28 0.00 2.68 2.68 0.00 0.00 7.34 8.13 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 35 W 7.99 4.74 0.00 3.71 3.17 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 36 G 8.34 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 0.00 0.00 0.00 37 L 8.05 4.65 0.00 2.18 1.65 1.02 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.95 3.82 0.00 2.02 1.82 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.57 7.81 39 R 8.31 3.94 0.00 2.08 1.96 0.00 3.48 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 1.61 1.77 0.00 40 L 7.90 4.11 0.00 1.65 1.05 1.03 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.15 4.53 0.00 3.09 3.01 0.00 0.00 7.24 8.49 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 42 D 7.99 4.33 0.00 2.89 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 43 V 7.67 3.44 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 -0.01 0.00 0.00 0.83 0.00 0.00 44 E 8.48 3.91 0.00 2.27 2.35 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 2.65 3.08 0.00 45 Y 8.18 3.88 0.00 2.94 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 46 H 8.33 4.20 0.00 3.28 3.26 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.82 3.71 0.00 1.22 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 1.76 1.91 0.00 48 S 7.86 4.11 0.00 4.02 3.85 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 49 I 7.36 3.57 1.72 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.45 0.85 0.00 0.00 50 D 7.67 4.26 0.00 2.76 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 51 E 8.18 4.19 0.00 2.20 2.21 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 2.74 2.82 0.00 52 M 8.04 4.07 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.55 0.00 53 K 8.17 3.93 0.00 1.86 1.82 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.64 7.81 54 H 8.16 4.10 0.00 3.53 3.34 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.43 4.24 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.31 4.30 0.00 2.90 2.86 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 57 R 7.93 3.87 0.00 1.83 1.78 0.00 3.14 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 58 Y 7.85 4.29 0.00 3.22 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 59 I 8.24 3.80 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.83 0.95 0.00 0.00 60 E 8.49 4.08 0.00 2.03 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 2.35 2.50 0.00 61 R 8.06 4.02 0.00 2.14 2.21 0.00 3.36 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.86 0.00 62 I 8.42 3.77 1.94 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 1.58 0.78 0.97 0.00 0.00 63 L 8.06 4.02 0.00 2.11 1.80 0.99 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.14 4.36 0.00 2.98 3.36 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 65 L 8.19 4.39 0.00 1.70 1.62 1.04 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.97 3.91 0.00 2.08 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 2.15 2.26 0.00 67 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 68 L 8.02 4.53 0.00 1.60 1.62 0.92 0.98 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 69 P 0.00 4.40 0.00 2.06 2.03 0.00 3.66 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 2.06 2.11 0.00 70 N 9.43 4.74 0.00 2.58 2.79 0.00 0.00 7.06 7.73 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 71 L 8.36 4.64 0.00 1.63 1.64 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.55 4.13 0.00 1.97 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 D 8.07 4.64 0.00 2.68 2.57 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 0.00 0.00 0.00 0.00 74 L 8.31 4.56 0.00 1.52 1.51 0.91 1.11 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 75 G 8.43 3.80 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 0.00 0.00 0.00 76 K 8.31 4.08 0.00 1.72 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.34 4.10 0.00 1.64 1.55 0.89 0.96 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 78 N 8.87 4.81 0.00 2.61 2.69 0.00 0.00 7.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.48 3.84 1.89 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 1.34 0.92 0.93 0.00 0.00 80 G 8.26 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 0.00 0.00 0.00 81 E 8.57 4.79 0.00 1.99 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 0.00 2.26 2.30 0.00 82 D 7.72 5.03 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 83 V 8.54 3.99 2.21 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 1.25 0.00 0.00 1.26 0.00 0.00 84 E 8.25 3.86 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 2.34 2.29 0.00 85 E 8.56 3.99 0.00 2.31 2.16 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 2.34 2.35 0.00 86 M 8.37 4.13 0.00 2.30 1.76 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.96 0.00 87 L 8.51 4.13 0.00 2.04 1.79 1.22 0.66 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 88 R 8.48 3.89 0.00 2.11 1.94 0.00 3.09 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 89 S 8.18 4.10 0.00 4.04 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 90 D 8.17 4.23 0.00 3.10 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.23 3.99 0.00 1.80 1.88 0.97 0.92 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 92 A 8.24 4.01 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 93 L 7.92 3.93 0.00 1.88 1.79 0.90 0.85 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 94 E 8.36 4.06 0.00 2.27 2.09 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 2.61 2.70 0.00 95 L 8.11 4.03 0.00 2.05 1.74 0.96 0.98 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 96 D 8.33 4.52 0.00 2.85 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 97 G 8.33 3.64 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 0.00 98 A 8.50 4.05 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 99 K 7.99 3.82 0.00 2.05 2.02 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.51 7.81 100 N 8.07 4.39 0.00 3.00 2.91 0.00 0.00 7.13 6.36 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 0.00 101 L 8.13 3.98 0.00 1.99 1.74 0.98 0.92 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 0.00 102 R 8.24 3.90 0.00 1.98 1.98 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.97 0.00 103 E 8.08 3.84 0.00 2.22 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 2.37 2.37 0.00 104 A 7.88 2.85 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.91 3.70 1.98 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 1.17 0.91 0.00 0.00 106 G 7.59 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 0.00 0.00 0.00 107 Y 7.94 4.17 0.00 3.13 2.93 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 0.00 108 A 8.17 3.82 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 0.00 109 D 7.90 4.09 0.00 2.88 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 0.00 110 S 7.73 4.09 0.00 3.93 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 0.00 111 V 7.04 3.96 1.93 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 0.43 0.00 0.00 0.66 0.00 0.00 112 H 7.28 2.85 0.00 3.18 3.32 0.00 5.84 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.39 4.54 0.00 2.63 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 7.44 4.34 0.00 3.09 2.93 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 0.00 115 V 7.85 3.72 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.98 0.00 0.00 116 S 8.33 4.16 0.00 4.21 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 0.00 117 R 8.10 3.90 0.00 1.91 2.21 0.00 3.33 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 118 D 8.30 4.30 0.00 2.97 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 0.00 119 M 8.32 4.00 0.00 2.23 2.03 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 2.47 2.46 0.00 120 M 8.21 4.16 0.00 2.16 2.27 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 2.93 2.81 0.00 121 I 8.17 3.72 1.88 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 1.53 0.76 0.91 0.00 0.00 122 E 8.09 3.96 0.00 2.29 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 2.32 2.34 0.00 123 I 7.54 3.56 1.92 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.49 0.75 0.00 0.00 124 L 8.14 3.93 0.00 1.86 1.86 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.02 3.90 0.00 2.04 2.11 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 126 D 8.03 4.37 0.00 2.98 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 0.00 127 E 8.30 3.95 0.00 2.13 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 2.61 2.51 0.00 128 E 8.80 4.21 0.00 2.24 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 0.00 2.33 2.36 0.00 129 G 7.96 3.65 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 0.00 0.00 0.00 130 H 8.11 4.56 0.00 3.54 3.59 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.38 3.79 2.10 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 1.49 0.84 0.96 0.00 0.00 132 D 8.30 4.36 0.00 2.95 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 0.00 133 F 8.33 4.19 0.00 3.27 3.34 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 0.00 134 L 8.23 3.73 0.00 1.94 1.72 1.29 1.12 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 0.00 135 E 8.35 3.92 0.00 2.13 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 2.49 0.00 136 T 7.92 3.80 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 1.20 0.00 0.00 137 E 7.78 3.87 0.00 1.78 1.84 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 1.47 1.77 0.00 138 L 7.86 3.80 0.00 1.73 1.63 0.90 0.96 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 0.00 139 D 8.18 4.39 0.00 2.78 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 0.00 140 L 8.08 3.97 0.00 1.90 1.86 1.00 0.91 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 0.00 141 I 7.47 3.40 1.73 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 0.06 0.73 0.00 0.00 142 Q 7.38 3.98 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.97 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 143 K 8.22 4.15 0.00 1.71 1.87 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.63 7.81 144 M 8.32 4.42 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.85 0.00 145 G 7.58 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.44 3.97 0.00 1.75 1.67 0.95 0.72 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 0.00 147 Q 8.09 3.99 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 148 N 8.15 4.37 0.00 2.98 2.89 0.00 0.00 6.68 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 7.98 3.99 0.00 3.02 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 0.00 150 L 8.44 4.06 0.00 2.01 1.69 1.06 0.86 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 0.00 151 Q 8.10 3.89 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 152 A 7.52 4.12 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 0.00 153 Q 7.81 4.22 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.76 0.00 0.00 0.00 0.00 0.00 2.01 2.17 0.00 154 I 7.22 3.91 1.96 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 1.31 0.86 0.90 0.00 0.00 155 R 7.52 4.63 0.00 1.76 1.81 0.00 3.19 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 156 E 8.41 4.11 0.00 2.06 2.09 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 2.26 2.28 0.00 157 E 8.50 4.11 0.00 1.94 1.88 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 2.25 2.29 0.00 *158 G 8.60 3.73 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.