NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1599 8.1627 120.2744 54.7032 33.1482 173.9831 2 K 4.0345 8.4788 128.4268 56.1059 32.6184 175.1873 3 G 3.9869 8.8411 116.0788 44.9813 0.0000 171.8731 4 D 4.5631 8.4841 119.7146 54.3875 41.9571 177.1438 5 T 3.8770 8.8426 122.7658 66.8058 68.5561 176.6961 6 K 3.8748 8.1682 120.9681 58.9873 32.2279 178.9147 7 V 3.8967 8.3425 118.8845 66.1796 31.4340 177.8326 8 I 3.7489 7.7924 119.4731 64.6674 36.9877 178.0557 9 N 4.2325 8.1480 116.9685 56.5040 38.2616 176.9483 10 Y 4.1490 7.9525 117.9932 61.2356 38.0040 178.7990 11 L 3.9234 8.5153 120.1382 57.9889 41.6422 179.4606 12 N 4.3750 8.4619 116.6501 55.9419 38.4282 177.4715 13 K 3.8629 8.0278 121.1428 59.4176 32.3417 178.9574 14 L 3.8015 7.9859 119.5734 57.4548 41.3762 178.9061 15 L 3.9425 7.6624 120.8513 58.3174 42.0257 179.2103 16 G 3.6573 8.1682 105.4626 47.9331 0.0000 175.1670 17 N 4.3324 8.1022 118.7718 56.2475 38.5909 177.2710 18 E 4.1033 8.2461 119.7541 59.5253 29.2664 179.4806 19 L 4.0376 8.2301 119.1662 57.6342 41.6264 179.7636 20 V 3.5718 7.7657 117.6700 66.0494 31.4615 177.9335 21 A 3.8721 8.0851 120.4460 55.0518 18.1715 179.4147 22 I 3.7639 8.2490 118.7462 64.9340 37.2770 178.4064 23 N 4.3926 7.8746 116.6884 56.2775 38.2962 177.4667 24 Q 3.8087 8.2121 120.9567 59.4298 29.1194 177.6370 25 Y 4.3463 8.1019 118.0576 61.1184 38.0025 178.6680 26 F 3.8933 8.4669 121.5331 61.0335 39.5094 176.8574 27 L 3.9601 8.1602 119.9873 58.6116 41.8388 178.4719 28 H 3.7535 8.3061 115.9320 58.7942 28.5796 177.2666 29 A 4.1683 8.2102 122.6173 55.6996 18.1554 179.9082 30 R 3.8158 7.6847 115.3416 58.7691 30.1441 179.2355 31 M 3.4000 7.7939 119.1179 58.0851 31.7586 178.5002 32 F 4.5731 7.4529 117.9074 60.5425 39.1244 177.5170 33 K 3.8768 8.2721 119.2782 59.6388 31.7729 177.9230 34 N 4.2313 8.0534 116.0979 56.7886 38.9087 176.2834 35 W 4.7737 7.9387 117.1481 57.6414 29.4026 177.2615 36 G 3.9983 8.3856 108.2975 45.8490 0.0000 174.1055 37 L 4.6752 8.1717 122.4513 52.5377 38.2377 176.7827 38 K 3.7975 7.9130 123.8241 59.9201 32.5980 177.5282 39 R 3.9004 8.2332 118.7879 59.3732 29.9618 178.5003 40 L 4.0997 7.7689 118.4433 57.3932 41.6149 178.5087 41 N 4.5310 8.2044 117.1185 56.9957 38.9068 176.6220 42 D 4.3076 8.0504 120.0780 57.3692 40.9084 179.0737 43 V 3.2651 7.5193 118.1911 65.9601 31.4330 178.0083 44 E 3.8923 8.2960 118.4234 59.2925 29.3155 178.6796 45 Y 3.8722 8.1971 119.7872 60.9086 38.8633 177.5303 46 H 3.9060 8.1459 119.0218 59.3355 29.8930 176.8644 47 E 3.4087 8.1159 120.6131 59.1623 29.0510 179.2025 48 S 4.1043 7.7680 113.0458 61.6069 62.4456 176.3707 49 I 3.5431 7.3662 122.2424 64.2856 36.7749 177.9976 50 D 4.1951 7.8657 119.7328 57.6008 40.6583 178.9489 51 E 4.1819 8.0869 118.8125 59.4897 29.3290 179.3173 52 M 4.0726 8.0240 118.9180 58.3428 32.0175 178.8465 53 K 3.9081 8.0804 118.5674 59.7406 32.1907 179.0990 54 H 4.1043 8.2337 116.1262 58.8002 28.5828 177.6050 55 A 4.2503 8.5369 122.9637 55.3298 18.1693 179.0300 56 D 4.2946 8.3644 116.6407 57.6827 41.2922 178.7348 57 R 3.8581 7.9110 118.3908 59.4028 30.0501 178.6090 58 Y 4.2924 7.7705 116.3695 61.2274 37.9375 178.6944 59 I 3.7599 8.1641 120.8573 64.7231 37.2754 178.4425 60 E 4.0621 8.4501 119.3671 59.1752 29.1865 179.5406 61 R 3.9986 8.1884 118.8227 59.5546 30.2724 178.3063 62 I 3.7633 8.3561 120.0074 64.6770 37.1809 178.3772 63 L 4.0162 8.0581 119.4179 57.7547 41.2586 179.1977 64 F 4.3391 8.1881 119.3928 61.3882 39.5719 176.4836 65 L 4.6143 8.0214 117.3934 54.0511 41.2430 177.2279 66 E 3.9344 7.9871 117.6754 57.3666 26.9961 174.6132 67 G 3.9281 8.2198 108.8560 44.1597 0.0000 173.6924 68 L 4.5506 8.0103 119.0523 51.9618 42.2386 175.1236 69 P 4.3768 0.0000 0.0000 62.6363 31.7607 175.9955 70 N 4.6942 9.5319 122.1545 52.4588 38.6040 174.1172 71 L 4.6221 8.2914 124.2254 54.5338 42.6198 177.5447 72 Q 4.0938 8.5368 121.7621 58.2689 29.2942 175.8952 73 D 4.6585 8.0875 117.1560 52.8545 41.8625 175.2683 74 L 4.5675 8.3076 125.6237 52.7880 44.0049 176.4687 75 G 3.8298 8.4284 115.5289 44.6302 0.0000 171.7778 76 K 4.1177 8.3010 120.6469 55.8110 32.5835 176.6136 77 L 4.2154 8.3070 126.4154 54.3398 42.3986 176.3862 78 N 4.8292 8.6408 120.7311 51.7283 39.5556 174.4408 79 I 3.7865 8.3482 125.3453 64.0539 37.6581 178.1564 80 G 4.4204 8.2212 102.6445 45.4108 0.0000 172.7242 81 E 4.7782 8.7654 116.9140 55.5787 31.9640 176.2097 82 D 4.9834 7.7151 117.7523 50.2754 43.9961 176.1195 83 V 4.0524 8.5074 119.2578 66.6238 31.3347 177.6800 84 E 3.8638 8.1930 118.0932 59.3449 29.4386 178.1753 85 E 3.9508 8.4317 119.4122 59.4633 29.6760 178.6993 86 M 4.2156 8.3396 117.1673 58.3365 31.3609 178.5969 87 L 4.1657 8.3370 120.2494 57.7076 41.7906 179.7041 88 R 3.9697 8.3317 118.2718 59.1835 29.9360 179.1059 89 S 4.1335 8.1386 113.0441 61.3872 62.3837 175.8961 90 D 4.2056 8.1761 121.6729 57.1449 40.5193 178.4605 91 L 3.9801 8.1342 120.4779 58.2482 42.1836 178.6184 92 A 3.9899 8.3815 121.0685 55.3348 18.2701 179.3846 93 L 3.9148 7.9301 118.5376 58.2853 42.0853 179.0019 94 E 4.0688 8.3954 118.5854 59.4523 29.4278 179.3425 95 L 4.0263 8.1768 119.0371 58.0161 41.7274 179.3671 96 D 4.4910 8.2983 118.9399 57.3463 40.7624 179.1515 97 G 3.6370 8.3254 106.0915 47.6388 0.0000 175.7075 98 A 4.0690 8.4618 123.5273 54.6278 18.4995 179.4829 99 K 3.8430 8.0557 118.2307 59.9555 32.2705 178.7201 100 N 4.4107 8.1337 116.5145 56.2680 38.3459 177.3544 101 L 4.0014 8.0464 120.3257 57.9446 41.8666 179.7973 102 R 3.8938 8.1242 117.9254 59.0857 29.9705 178.7236 103 E 3.8491 8.0572 118.3524 59.2907 29.6308 178.7090 104 A 2.8056 7.7465 120.6980 54.8568 18.2309 179.6651 105 I 3.7250 8.0323 118.7276 64.3897 36.9351 178.8994 106 G 3.5960 7.6866 105.2556 47.9005 0.0000 174.8909 107 Y 4.0969 7.9210 121.8263 60.3081 38.7933 177.4661 108 A 3.8221 8.2249 122.1140 55.2739 18.3805 179.0371 109 D 4.1254 7.7876 116.4116 57.5318 41.1097 178.7361 110 S 4.0823 7.4789 112.9832 60.4185 63.0915 175.7535 111 V 3.9434 6.8271 113.2351 60.4872 31.6453 175.4242 112 H 2.7735 7.0189 114.2644 56.7936 26.7439 176.2963 113 D 4.4994 7.4397 121.6066 53.6506 38.3945 175.8885 114 Y 4.3676 7.5904 121.8083 60.0458 38.4011 177.5403 115 V 3.7153 7.8535 120.1496 64.6930 31.7661 178.3732 116 S 4.1411 8.1996 115.4168 61.3196 62.6144 176.5453 117 R 3.8782 7.9691 121.2444 59.5455 29.9386 177.9423 118 D 4.3060 8.3550 117.8443 57.5479 41.2354 177.7187 119 M 3.9527 8.2002 118.7214 59.1982 32.2002 178.2047 120 M 4.1461 8.3100 118.7190 58.3170 32.0760 178.8952 121 I 3.7465 8.1328 120.5204 64.2097 37.3255 178.2228 122 E 3.9603 8.0796 119.2414 59.5311 29.2458 179.5062 123 I 3.5121 7.6800 119.7719 64.1927 37.0315 178.2673 124 L 3.9381 8.1042 121.3040 58.0088 41.9501 178.8853 125 R 3.8823 8.0756 118.6940 59.6272 30.0225 178.2169 126 D 4.3499 8.0032 118.3492 57.4616 40.8262 178.6835 127 E 4.0075 8.3326 119.2174 59.5074 29.4314 179.3171 128 E 4.3604 8.7332 119.1140 59.0724 29.4265 179.6789 129 G 3.6449 7.9377 105.6564 48.0415 0.0000 175.5206 130 H 4.5684 8.2930 118.7831 58.7480 28.6961 177.7776 131 I 3.8155 8.3970 121.9697 64.6075 37.0210 177.8100 132 D 4.3655 8.3788 118.7120 57.1266 41.0540 178.1143 133 W 4.1327 8.3614 128.6890 60.4617 30.7852 177.7975 134 L 3.7182 8.2245 118.7915 57.9191 41.1588 179.2577 135 E 3.9253 8.3822 118.5606 59.8075 29.3523 179.7214 136 T 3.7759 7.8571 115.4151 66.6012 68.5383 176.5149 137 E 3.7565 7.5834 120.2902 59.3631 29.1619 179.3974 138 L 3.7560 7.6443 118.7927 57.9500 41.6742 179.4474 139 D 4.3710 8.0164 118.7001 57.2415 40.6874 178.7669 140 L 4.0046 8.0147 119.6586 57.7318 41.6212 179.5029 141 I 3.3824 7.3199 119.7131 64.5364 36.7632 178.5380 142 Q 3.9750 7.3426 116.1279 58.6647 28.5872 178.5869 143 K 4.1341 7.9581 119.0765 59.0570 32.3441 178.5207 144 M 4.3701 8.1793 114.2822 54.0001 32.3612 177.2287 145 G 4.1229 7.5574 105.3064 45.9849 0.0000 174.4965 146 L 3.9749 8.3603 121.0694 57.9936 42.1834 179.2247 147 Q 3.9825 8.0762 117.5033 59.2345 28.8210 178.6062 148 N 4.3357 8.1318 116.7446 56.4128 38.4229 176.5473 149 Y 3.9913 7.9651 119.7789 60.7851 39.1797 177.9814 150 L 4.0556 8.5149 120.1510 57.8782 41.2296 179.2249 151 Q 3.9516 8.1696 119.2204 59.0771 28.7512 177.7928 152 A 4.1474 7.6680 119.2912 53.5118 18.7108 178.2634 153 Q 4.2594 7.7176 116.1309 55.8107 29.2605 177.3496 154 I 4.1920 7.2422 111.6823 61.6835 38.2243 176.2332 155 R 4.6585 7.5578 119.6702 53.6911 32.3457 175.5006 156 E 4.1084 8.4933 119.8578 56.0516 30.4379 175.9499 157 E 4.0910 8.4707 122.1137 55.4787 30.7104 176.5519 *158 G 3.7277 8.5450 113.4191 45.9049 0.0000 172.3978 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 4.16 0.00 1.37 1.79 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 2 K 8.48 4.03 0.00 1.83 1.68 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 1.46 7.81 3 G 8.84 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 0.00 0.00 0.00 4 D 8.48 4.56 0.00 2.77 2.64 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 5 T 8.84 3.88 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 1.18 0.00 0.00 6 K 8.17 3.87 0.00 1.69 1.84 0.00 1.37 0.00 0.00 0.92 0.00 0.00 2.59 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.80 1.00 7.81 7 V 8.34 3.90 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 1.15 0.00 0.00 1.21 0.00 0.00 8 I 7.79 3.75 2.02 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 0.63 0.92 0.00 0.00 9 N 8.15 4.23 0.00 2.66 2.66 0.00 0.00 7.07 7.08 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 10 Y 7.95 4.15 0.00 3.29 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 11 L 8.52 3.92 0.00 2.05 1.79 1.13 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.46 4.37 0.00 2.89 2.81 0.00 0.00 6.66 9.00 0.00 0.00 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 8.03 3.86 0.00 1.85 1.97 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.43 1.44 7.81 14 L 7.99 3.80 0.00 0.97 1.12 0.97 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.66 3.94 0.00 1.66 1.82 1.05 1.10 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 16 G 8.17 3.66 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 0.00 0.00 0.00 17 N 8.10 4.33 0.00 2.96 2.91 0.00 0.00 7.05 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 18 E 8.25 4.10 0.00 2.27 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.90 0.00 19 L 8.23 4.04 0.00 1.81 1.72 0.92 1.00 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 20 V 7.77 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 1.02 0.00 0.00 0.99 0.00 0.00 21 A 8.09 3.87 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.25 3.76 2.05 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 1.61 0.89 0.91 0.00 0.00 23 N 7.87 4.39 0.00 2.90 2.86 0.00 0.00 6.76 7.47 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 24 Q 8.21 3.81 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.18 2.08 0.00 25 Y 8.10 4.35 0.00 3.22 3.07 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 26 F 8.47 3.89 0.00 3.42 3.09 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 27 L 8.16 3.96 0.00 1.98 1.60 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.31 3.75 0.00 3.49 3.20 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 8.21 4.17 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 30 R 7.68 3.82 0.00 1.78 1.89 0.00 3.28 0.00 0.00 3.08 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.78 0.00 31 M 7.79 3.40 0.00 0.81 1.50 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.16 0.00 32 F 7.45 4.57 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 8.27 3.88 0.00 2.06 1.91 0.00 1.66 0.00 0.00 1.49 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.43 7.81 34 N 8.05 4.23 0.00 2.65 2.68 0.00 0.00 7.36 7.58 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 35 W 7.94 4.77 0.00 3.75 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 8.39 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 37 L 8.17 4.68 0.00 2.18 1.67 1.07 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.91 3.80 0.00 2.00 1.82 0.00 1.60 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.58 1.57 7.81 39 R 8.23 3.90 0.00 2.10 2.01 0.00 3.52 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 40 L 7.77 4.10 0.00 1.67 1.03 1.10 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.20 4.53 0.00 3.11 3.02 0.00 0.00 7.19 8.50 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 42 D 8.05 4.31 0.00 2.85 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 43 V 7.52 3.27 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 -0.72 0.00 0.00 0.81 0.00 0.00 44 E 8.30 3.89 0.00 2.34 2.39 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 2.65 3.15 0.00 45 Y 8.20 3.87 0.00 2.94 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 46 H 8.15 3.91 0.00 3.32 3.37 0.00 5.85 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 47 E 8.12 3.41 0.00 1.16 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 1.87 1.79 0.00 48 S 7.77 4.10 0.00 4.04 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 49 I 7.37 3.54 1.70 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 1.02 0.44 0.78 0.00 0.00 50 D 7.87 4.20 0.00 2.63 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 51 E 8.09 4.18 0.00 2.19 2.22 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 2.70 2.82 0.00 52 M 8.02 4.07 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.55 0.00 53 K 8.08 3.91 0.00 1.88 1.81 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.65 7.81 54 H 8.23 4.10 0.00 3.55 3.47 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 8.54 4.25 1.43 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 0.00 0.00 56 D 8.36 4.29 0.00 2.91 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 57 R 7.91 3.86 0.00 1.82 1.77 0.00 3.13 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 58 Y 7.77 4.29 0.00 3.25 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 8.16 3.76 2.05 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 1.57 0.93 0.95 0.00 0.00 60 E 8.45 4.06 0.00 2.02 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 2.61 0.00 61 R 8.19 4.00 0.00 2.12 2.20 0.00 3.33 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00 62 I 8.36 3.76 2.07 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 1.59 0.61 0.96 0.00 0.00 63 L 8.06 4.02 0.00 2.10 1.79 0.95 0.98 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 8.19 4.34 0.00 2.97 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 65 L 8.02 4.61 0.00 1.88 1.63 1.03 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.99 3.93 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 2.25 0.00 67 G 8.22 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 0.00 0.00 0.00 68 L 8.01 4.55 0.00 1.59 1.62 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.38 0.00 2.06 2.03 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 70 N 9.53 4.69 0.00 2.60 2.72 0.00 0.00 7.07 7.92 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 71 L 8.29 4.62 0.00 1.63 1.64 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.54 4.09 0.00 1.98 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.67 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 73 D 8.09 4.66 0.00 2.68 2.56 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 0.00 0.00 0.00 0.00 74 L 8.31 4.57 0.00 1.52 1.51 0.91 1.06 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 75 G 8.43 3.83 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 0.00 0.00 0.00 76 K 8.30 4.12 0.00 1.72 1.72 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 8.31 4.22 0.00 1.64 1.55 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.64 4.83 0.00 2.62 2.69 0.00 0.00 7.21 7.72 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 79 I 8.35 3.79 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.91 0.93 0.00 0.00 80 G 8.22 4.42 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 81 E 8.77 4.78 0.00 1.98 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 2.26 2.30 0.00 82 D 7.72 4.98 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 8.51 4.05 2.23 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 1.28 0.00 0.00 1.29 0.00 0.00 84 E 8.19 3.86 0.00 2.02 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 0.00 2.34 2.29 0.00 85 E 8.43 3.95 0.00 2.37 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 0.00 2.34 2.34 0.00 86 M 8.34 4.22 0.00 2.19 1.83 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 3.04 0.00 87 L 8.34 4.17 0.00 2.06 1.77 1.28 0.81 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 88 R 8.33 3.97 0.00 2.00 1.99 0.00 3.12 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 1.64 1.82 0.00 89 S 8.14 4.13 0.00 4.02 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 90 D 8.18 4.21 0.00 3.12 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 3.98 0.00 1.91 1.89 0.98 0.84 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 92 A 8.38 3.99 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.93 3.91 0.00 1.88 1.82 0.90 0.95 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 94 E 8.40 4.07 0.00 2.30 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 2.63 2.73 0.00 95 L 8.18 4.03 0.00 2.05 1.74 0.96 1.09 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 8.30 4.49 0.00 2.86 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 8.46 4.07 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 99 K 8.06 3.84 0.00 2.05 2.05 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 8.13 4.41 0.00 3.02 2.90 0.00 0.00 7.10 6.76 0.00 0.00 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 8.05 4.00 0.00 2.00 1.74 0.98 0.86 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 0.00 102 R 8.12 3.89 0.00 2.01 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 1.98 0.00 103 E 8.06 3.85 0.00 2.09 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 2.37 2.39 0.00 104 A 7.75 2.81 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 0.00 0.00 0.00 0.00 0.00 105 I 8.03 3.72 1.89 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 1.48 0.91 0.00 0.00 106 G 7.69 3.60 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 0.00 0.00 0.00 107 Y 7.92 4.10 0.00 3.13 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.22 3.82 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 0.00 109 D 7.79 4.13 0.00 2.81 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 7.48 4.08 0.00 3.98 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 0.00 111 V 6.83 3.94 1.92 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 0.51 0.00 0.00 0.63 0.00 0.00 112 H 7.02 2.77 0.00 3.15 3.23 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.44 4.50 0.00 2.61 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 7.59 4.37 0.00 3.10 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 0.00 115 V 7.85 3.72 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 0.89 0.00 0.00 0.96 0.00 0.00 116 S 8.20 4.14 0.00 3.97 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 7.97 3.88 0.00 1.91 2.19 0.00 3.34 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 118 D 8.35 4.31 0.00 2.98 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 0.00 119 M 8.20 3.95 0.00 2.24 2.02 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 120 M 8.31 4.15 0.00 2.15 2.31 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.81 0.00 121 I 8.13 3.75 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 1.08 0.91 0.00 0.00 122 E 8.08 3.96 0.00 2.20 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 2.31 2.47 0.00 123 I 7.68 3.51 1.90 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.51 0.74 0.00 0.00 124 L 8.10 3.94 0.00 1.87 1.84 0.95 0.72 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 0.00 125 R 8.08 3.88 0.00 2.04 2.11 0.00 3.15 0.00 0.00 3.16 7.55 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 8.00 4.35 0.00 3.02 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 0.00 127 E 8.33 4.01 0.00 2.14 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 2.52 2.56 0.00 128 E 8.73 4.36 0.00 2.02 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 2.37 2.53 0.00 129 G 7.94 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 0.00 130 H 8.29 4.57 0.00 3.55 3.63 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 8.40 3.82 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 1.50 0.90 0.97 0.00 0.00 132 D 8.38 4.37 0.00 2.98 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 0.00 133 W 8.36 4.13 0.00 3.55 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.22 3.72 0.00 2.02 1.74 1.34 1.32 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 0.00 135 E 8.38 3.93 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 2.34 2.56 0.00 136 T 7.86 3.78 4.22 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 1.17 0.00 0.00 137 E 7.58 3.76 0.00 1.54 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 1.47 1.47 0.00 138 L 7.64 3.76 0.00 1.72 1.61 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.02 4.37 0.00 2.79 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 0.00 140 L 8.01 4.00 0.00 1.87 1.84 0.98 0.72 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 0.00 141 I 7.32 3.38 1.70 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 0.01 0.71 0.00 0.00 142 Q 7.34 3.98 0.00 2.14 2.11 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 2.49 2.48 0.00 143 K 7.96 4.13 0.00 1.79 1.86 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.49 7.81 144 M 8.18 4.37 0.00 2.20 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 2.69 2.89 0.00 145 G 7.56 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 0.00 0.00 0.00 146 L 8.36 3.97 0.00 1.75 1.67 0.97 0.70 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 8.08 3.98 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 148 N 8.13 4.34 0.00 2.98 2.89 0.00 0.00 6.67 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 7.97 3.99 0.00 3.01 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 8.51 4.06 0.00 2.02 1.70 1.05 0.83 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 0.00 151 Q 8.17 3.95 0.00 2.11 2.23 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 2.37 0.00 152 A 7.67 4.15 1.22 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 0.00 0.00 153 Q 7.72 4.26 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 154 I 7.24 4.19 1.87 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 1.50 1.44 0.94 0.00 0.00 155 R 7.56 4.66 0.00 1.77 1.84 0.00 3.19 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 156 E 8.49 4.11 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 2.26 2.27 0.00 157 E 8.47 4.09 0.00 1.95 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 0.00 2.26 2.30 0.00 *158 G 8.54 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.