NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 L 4.2980 8.1801 120.6353 55.1478 41.9362 175.8034 23 A 4.1657 8.1030 124.0460 51.0667 19.8386 175.1514 24 D 4.9711 8.2273 114.6266 50.6393 43.7815 174.5304 25 S 4.1825 9.1001 114.5408 61.7430 62.5732 177.0956 26 K 3.9170 8.0701 120.4098 59.4353 31.9112 178.9209 27 A 4.0411 8.5226 121.3347 55.3054 18.2610 180.1316 28 V 3.7134 8.1010 117.6780 64.8003 31.5239 178.4721 29 L 4.1865 8.5582 120.1788 57.8861 41.4920 179.0930 30 N 4.3024 8.3998 116.8792 56.4935 38.7205 176.6713 31 Q 4.2333 8.4806 120.9629 59.2840 29.0881 178.2092 32 A 4.2111 8.6499 122.2355 55.1328 18.4934 179.5426 33 V 3.5918 8.1691 116.6074 66.2304 31.5656 178.1967 34 A 4.0987 8.3497 120.1743 55.4870 18.3315 179.4043 35 D 4.3823 8.5201 117.6721 57.5991 40.8707 179.1007 36 L 4.2561 8.8678 120.3361 57.7577 41.6502 179.8145 37 S 3.8922 7.8388 115.3000 61.4154 62.5335 176.8895 38 V 3.5955 7.8159 120.7840 65.8244 31.2115 177.7396 39 A 3.9988 8.4680 121.0556 55.4794 18.1764 179.0031 40 H 4.0019 8.4602 116.6621 59.5189 29.9673 177.2013 41 S 4.0882 7.9663 114.5692 61.6562 62.0903 176.2626 42 I 3.6755 8.0011 122.4666 64.4220 36.7724 178.4454 43 L 3.9179 8.1544 120.0677 57.9321 41.3015 179.1002 44 H 3.5554 7.9662 118.2959 58.8989 29.5840 177.0971 45 Q 4.2377 7.8904 121.4498 59.1848 28.6573 178.4785 46 V 3.6110 8.0036 119.4302 66.2020 31.3864 177.1879 47 H 4.1491 8.1785 117.0207 59.4330 29.6940 176.8801 48 W 4.7271 8.3286 119.3700 59.6227 28.9098 177.3776 49 Y 4.4235 8.5475 114.6236 57.0047 37.7473 175.1884 50 M 4.5119 7.5918 121.1824 55.7936 32.9770 175.6585 51 R 4.6696 8.7651 123.4269 55.2964 34.5990 173.7915 52 G 4.2681 8.9347 106.3281 42.7821 0.0000 173.1842 53 R 4.2725 8.2008 119.7195 57.6670 30.4626 177.6687 54 G 4.2134 9.4444 110.6540 45.2844 0.0000 174.8981 55 F 4.0555 8.6093 122.1978 62.0697 39.0144 176.9843 56 M 4.0778 8.2110 115.3380 58.3567 32.2178 177.8167 57 I 3.7207 7.5464 119.5951 63.9525 37.6931 178.0110 58 W 4.2575 8.3054 119.6766 59.0815 28.7545 178.3289 59 H 3.9031 8.2101 118.5513 58.7193 29.5195 175.3680 60 P 4.2545 0.0000 0.0000 65.4311 31.1837 177.9227 61 K 3.4807 7.5671 119.6267 59.7025 31.8116 178.3401 62 M 3.9978 7.8703 118.5523 58.4739 31.8043 178.4656 63 D 4.1461 7.7391 118.8657 57.3878 41.0543 178.6318 64 E 3.9140 7.8882 118.4625 59.7213 29.4090 178.9577 65 Y 4.4998 7.8728 116.7263 61.3423 37.9016 178.4629 66 M 4.1688 8.6577 122.6999 58.9439 32.0215 179.1935 67 E 3.9860 8.3000 118.5596 60.9843 29.8414 180.8688 68 E 3.8454 8.0990 120.2259 59.1400 29.7746 178.9829 69 I 3.7685 7.9086 119.9740 64.5852 37.2023 178.1638 70 D 4.4431 8.6401 120.2603 57.2547 40.6065 179.1152 71 G 3.4788 8.0597 106.2993 47.8319 0.0000 175.3840 72 Y 4.3501 7.3605 119.0827 60.7142 37.8219 178.2618 73 L 4.0706 8.0082 121.1947 58.2862 42.1715 178.5766 74 D 4.2595 8.1022 117.6590 57.3969 41.2571 177.6962 75 E 3.8822 8.1643 119.7792 59.6238 29.5384 178.7685 76 M 3.9102 8.7282 119.1101 58.2516 32.0056 178.6841 77 S 4.0792 8.2935 113.5317 61.5185 62.5154 176.1201 78 E 3.9913 8.4221 121.3566 58.9950 29.0796 179.1970 79 R 3.8136 7.9811 119.0610 59.2212 30.0587 178.1944 80 L 3.8971 8.0279 120.1724 58.2494 41.9778 178.9142 81 I 3.6580 7.8448 119.6145 64.9101 36.8678 178.4192 82 T 3.8666 7.9544 115.3349 66.5795 68.3484 175.7385 83 L 4.3707 7.8416 117.9935 54.8829 41.6927 177.6263 84 G 3.8243 8.2978 107.8225 45.4375 0.0000 173.9401 85 G 3.8295 7.8637 109.0753 43.7352 0.0000 173.9011 86 A 4.4594 7.9433 121.1186 49.0878 19.8148 174.0253 87 P 4.4521 0.0000 0.0000 62.9447 32.1912 176.9424 88 F 4.6411 8.3008 120.2577 58.9287 39.3055 176.5632 89 S 4.7840 8.7375 118.7733 56.6341 63.4421 174.6986 90 T 4.4744 6.7572 109.7346 59.9338 72.8515 173.5674 91 L 3.9568 8.2239 122.4659 57.6419 41.7250 179.4945 92 K 3.7829 7.9207 119.1445 59.6582 32.0932 178.1948 93 E 3.6809 7.8397 118.4505 59.4409 29.3767 179.4041 94 F 4.4239 7.6875 117.5352 60.9550 38.8295 177.8339 95 S 4.1588 8.2495 111.5203 61.2543 62.2499 175.5898 96 E 4.1028 8.0439 120.5380 58.6037 29.3255 178.0645 97 N 4.4963 7.7602 115.3912 53.8930 39.4990 175.9707 98 S 4.4395 7.5688 114.4295 58.4855 62.9220 173.8568 99 Q 4.2304 8.6766 124.5534 56.2221 28.9921 176.1659 100 L 4.0315 7.4539 119.1691 53.8162 42.4728 176.2455 101 K 4.4756 8.2669 122.0375 54.8148 33.7543 175.7359 102 E 4.6760 8.4738 122.2397 54.6923 31.7325 175.4395 103 V 4.5210 7.7263 113.5954 58.8147 35.5307 175.5680 104 L 3.9797 8.2997 121.1154 54.5835 41.9411 177.9476 105 G 2.3929 8.0295 111.4654 45.3965 0.0000 172.7546 106 D 4.3965 7.4012 121.3404 52.6164 43.4233 175.6667 107 Y 4.8562 8.6834 124.4989 60.3917 38.1034 176.7724 108 N 4.6995 8.5053 115.3399 53.4481 39.0814 175.6653 109 V 3.7777 7.2102 118.5249 62.9586 32.1839 176.4682 110 T 4.2729 9.0696 118.1362 61.2196 70.8406 175.7384 111 I 3.6844 8.3232 122.6290 64.9369 37.0872 178.5615 112 E 3.8319 8.0728 118.6525 59.2237 29.3137 179.1171 113 E 3.9014 8.1793 118.8393 59.3639 29.5372 179.2173 114 Q 3.9405 8.3523 118.4855 59.1308 28.7513 179.1540 115 L 3.7039 7.9612 119.7429 57.3956 41.5171 179.3288 116 A 3.8591 8.0178 120.9939 55.1111 18.2677 179.6654 117 R 3.7500 7.9266 117.2294 59.3889 30.0247 178.9463 118 V 3.2028 7.4207 118.0715 65.7047 31.4742 177.9703 119 V 3.4381 7.5966 118.0478 66.0755 31.1901 177.8336 120 E 3.9004 8.0094 118.0275 59.4196 29.2821 179.2850 121 V 3.6457 7.7552 118.2016 66.3900 31.5476 178.1407 122 F 4.4604 8.4825 117.6075 60.5489 38.6956 177.9034 123 R 3.9345 8.6956 118.1998 59.3051 29.8215 178.3514 124 Y 3.9245 8.2597 119.3774 60.7194 38.7637 177.9912 125 L 3.3000 8.2450 119.9239 57.6067 41.6824 179.4408 126 A 3.8138 8.1915 120.5199 55.1022 18.3071 179.5678 127 A 3.7882 7.7615 119.1875 55.0032 18.3318 179.5158 128 L 3.6004 7.5217 119.2092 58.3836 42.0010 179.3799 129 F 4.4172 8.0890 117.9708 60.4232 38.6913 177.4950 130 Q 3.9280 8.2222 119.5275 59.1036 28.7710 178.5063 131 K 4.0113 7.9187 119.7245 59.2196 32.0104 179.6436 132 G 2.1824 7.7066 106.1965 47.0426 0.0000 175.3035 133 F 4.0438 8.0763 123.5429 61.2207 39.2839 177.0546 134 D 4.3707 8.4412 118.3637 57.3559 40.7183 178.6865 135 V 3.5565 7.8246 119.0546 66.2972 31.3836 178.3158 136 S 4.6567 8.1291 115.0623 60.7013 62.8481 175.8810 137 D 4.0722 7.9193 121.8359 57.1783 40.7447 177.7473 138 E 3.9204 8.1247 118.7562 59.1605 29.4423 177.9669 139 E 4.2891 8.2966 117.0707 56.0790 29.5215 177.6106 140 G 3.6807 7.7174 106.8667 46.8941 0.0000 174.7677 141 D 4.6056 8.0153 121.9650 52.9316 39.9196 176.0709 142 S 4.1123 8.0954 120.7274 60.0773 63.7151 176.5721 143 V 3.5161 7.5971 121.9254 66.2218 31.4109 177.8854 144 T 3.7225 7.9166 115.0204 66.5076 68.2887 175.8014 145 N 4.3758 8.2153 120.5720 56.1877 38.8176 176.2300 146 D 4.3642 8.0770 118.9851 57.3620 41.4048 178.0990 147 I 3.5482 7.4683 119.8152 64.5809 37.0434 178.4790 148 F 3.9458 8.0044 118.4040 60.1360 38.7026 177.4832 149 N 4.3707 8.3183 117.0386 56.5699 38.6953 177.1069 150 V 3.5463 8.2051 119.8593 65.9517 31.6660 177.8043 151 A 3.4223 7.4049 121.3997 54.1313 17.9070 179.3090 152 K 3.9716 8.0544 117.9800 59.7575 32.2800 178.5776 153 A 3.9886 8.0301 121.0708 55.3483 18.3129 179.8222 154 S 4.1039 7.9192 112.5576 61.5290 63.1944 176.5660 155 I 3.5175 7.8599 123.4696 64.1896 36.8451 178.2147 156 E 4.0041 8.4570 119.4728 59.2288 29.2731 179.2081 157 K 4.2476 8.1108 119.6398 60.1096 32.2625 178.5409 158 H 4.4384 8.3586 116.3681 58.9229 28.6121 177.8180 159 I 3.8268 8.2572 121.8932 64.0749 36.9643 178.0098 160 W 4.4474 8.4436 129.1524 61.1356 30.5211 177.9761 161 M 3.3201 7.9083 118.3212 57.9064 31.2938 178.7825 162 L 4.0142 8.4549 119.5540 58.0144 41.8245 179.5146 163 Q 3.9799 8.2302 117.6635 58.8784 28.5647 178.8424 164 A 4.0164 8.1292 121.6972 55.2874 18.2348 179.1171 165 E 3.9670 8.0910 116.4238 59.3760 29.7460 178.1830 166 L 4.4087 7.6240 115.9124 54.1367 41.8352 176.9888 167 G 3.9205 8.1818 107.0625 46.5937 0.0000 173.7267 168 Q 4.6605 8.3824 116.7989 53.0222 32.2004 175.6424 169 A 4.3336 8.3698 122.6367 51.5839 19.1089 176.3432 170 P 4.3872 0.0000 0.0000 63.8936 31.9270 177.2001 171 K 3.8299 8.1080 115.6818 57.2041 29.5989 174.7953 172 L 4.1816 7.8420 121.3705 55.2186 41.4938 177.7499 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 22 L 8.18 4.30 0.00 1.67 1.75 0.96 0.69 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 23 A 8.10 4.17 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 24 D 8.23 4.97 0.00 3.11 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 25 S 9.10 4.18 0.00 3.93 4.02 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 K 8.07 3.92 0.00 1.94 1.84 0.00 1.66 0.00 0.00 1.98 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.51 7.81 27 A 8.52 4.04 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 28 V 8.10 3.71 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 1.10 0.00 0.00 0.77 0.00 0.00 29 L 8.56 4.19 0.00 1.88 1.79 0.96 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.40 4.30 0.00 2.75 2.58 0.00 0.00 6.88 6.39 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 31 Q 8.48 4.23 0.00 2.47 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.48 2.78 0.00 32 A 8.65 4.21 1.74 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 0.00 0.00 33 V 8.17 3.59 2.48 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 1.27 0.00 0.00 1.03 0.00 0.00 34 A 8.35 4.10 1.56 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 0.00 0.00 35 D 8.52 4.38 0.00 2.90 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 36 L 8.87 4.26 0.00 1.76 1.81 1.19 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.84 3.89 0.00 3.43 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.82 3.60 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.96 0.00 0.00 39 A 8.47 4.00 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 40 H 8.46 4.00 0.00 3.33 3.51 0.00 5.80 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 7.97 4.09 0.00 4.03 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 42 I 8.00 3.68 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.55 0.85 0.00 0.00 43 L 8.15 3.92 0.00 1.72 1.67 1.10 1.33 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 44 H 7.97 3.56 0.00 3.05 2.36 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 7.89 4.24 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 46 V 8.00 3.61 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.01 0.00 0.00 47 H 8.18 4.15 0.00 3.01 3.25 0.00 6.00 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 W 8.33 4.73 0.00 3.61 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 49 Y 8.55 4.42 0.00 3.23 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 50 M 7.59 4.51 0.00 2.30 2.35 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.90 0.00 51 R 8.77 4.67 0.00 1.89 1.79 0.00 3.30 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.79 0.00 52 G 8.93 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 0.00 0.00 0.00 0.00 53 R 8.20 4.27 0.00 1.87 1.95 0.00 3.38 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 54 G 9.44 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 0.00 0.00 0.00 0.00 55 F 8.61 4.06 0.00 3.39 3.16 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 56 M 8.21 4.08 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.74 0.00 57 I 7.55 3.72 1.73 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.92 0.06 0.00 0.00 58 W 8.31 4.26 0.00 3.47 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 59 H 8.21 3.90 0.00 1.59 2.54 0.00 5.95 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 60 P 0.00 4.25 0.00 2.18 2.23 0.00 3.63 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 2.05 1.96 0.00 61 K 7.57 3.48 0.00 1.44 1.83 0.00 1.16 0.00 0.00 1.10 0.00 0.00 2.63 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.15 0.54 7.81 62 M 7.87 4.00 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 3.04 0.00 63 D 7.74 4.15 0.00 2.83 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 64 E 7.89 3.91 0.00 1.88 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 0.00 2.30 2.23 0.00 65 Y 7.87 4.50 0.00 3.24 3.16 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 66 M 8.66 4.17 0.00 1.96 2.17 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.36 0.00 67 E 8.30 3.99 0.00 1.98 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 2.24 2.19 0.00 68 E 8.10 3.85 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 1.91 1.96 0.00 69 I 7.91 3.77 2.13 0.00 0.00 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 1.85 1.18 1.03 0.00 0.00 70 D 8.64 4.44 0.00 2.83 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 71 G 8.06 3.48 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 0.00 72 Y 7.36 4.35 0.00 3.22 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 73 L 8.01 4.07 0.00 1.94 1.88 0.89 0.81 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 74 D 8.10 4.26 0.00 2.85 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 75 E 8.16 3.88 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 76 M 8.73 3.91 0.00 1.96 2.13 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 1.98 0.00 77 S 8.29 4.08 0.00 3.94 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 78 E 8.42 3.99 0.00 2.17 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 2.32 2.35 0.00 79 R 7.98 3.81 0.00 1.93 1.99 0.00 3.10 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 80 L 8.03 3.90 0.00 1.85 1.85 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.84 3.66 2.00 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 0.73 0.90 0.00 0.00 82 T 7.95 3.87 4.37 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 1.19 0.00 0.00 83 L 7.84 4.37 0.00 1.73 1.68 0.97 1.26 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 84 G 8.30 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 7.86 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 86 A 7.94 4.46 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 87 P 0.00 4.45 0.00 2.26 2.07 0.00 3.78 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 88 F 8.30 4.64 0.00 3.45 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 89 S 8.74 4.78 0.00 4.01 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 90 T 6.76 4.47 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 1.13 0.00 0.00 91 L 8.22 3.96 0.00 1.70 1.81 1.00 1.01 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 92 K 7.92 3.78 0.00 1.76 1.73 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.50 7.81 93 E 7.84 3.68 0.00 1.94 1.69 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 2.30 2.29 0.00 94 F 7.69 4.42 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 95 S 8.25 4.16 0.00 3.95 3.89 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 96 E 8.04 4.10 0.00 1.96 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 0.00 2.30 2.42 0.00 97 N 7.76 4.50 0.00 2.32 2.70 0.00 0.00 6.95 7.43 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 98 S 7.57 4.44 0.00 4.08 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 8.68 4.23 0.00 1.61 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.46 2.72 0.00 100 L 7.45 4.03 0.00 1.52 1.45 0.96 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.27 4.48 0.00 1.66 1.67 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.37 7.81 102 E 8.47 4.68 0.00 1.91 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 103 V 7.73 4.52 2.01 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 0.70 0.00 0.00 0.85 0.00 0.00 104 L 8.30 3.98 0.00 1.54 1.50 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.03 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 0.00 0.00 0.00 0.00 0.00 0.00 106 D 7.40 4.40 0.00 2.49 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 0.00 107 Y 8.68 4.86 0.00 3.12 3.04 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 0.00 108 N 8.51 4.70 0.00 2.75 2.90 0.00 0.00 6.92 7.19 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 0.00 109 V 7.21 3.78 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 0.81 0.00 0.00 0.96 0.00 0.00 110 T 9.07 4.27 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 1.28 0.00 0.00 111 I 8.32 3.68 1.91 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.85 0.84 0.00 0.00 112 E 8.07 3.83 0.00 1.96 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 0.00 2.32 2.36 0.00 113 E 8.18 3.90 0.00 2.24 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 2.32 0.00 114 Q 8.35 3.94 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.59 2.60 0.00 115 L 7.96 3.70 0.00 1.33 1.23 -0.38 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 116 A 8.02 3.86 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 0.00 117 R 7.93 3.75 0.00 1.87 2.01 0.00 3.07 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 118 V 7.42 3.20 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 -0.02 0.00 0.00 0.84 0.00 0.00 119 V 7.60 3.44 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 0.80 0.00 0.00 0.87 0.00 0.00 120 E 8.01 3.90 0.00 2.19 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 2.45 0.00 121 V 7.76 3.65 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 1.25 0.00 0.00 0.94 0.00 0.00 122 F 8.48 4.46 0.00 3.10 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 0.00 123 R 8.70 3.93 0.00 2.01 2.00 0.00 3.14 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 124 Y 8.26 3.92 0.00 3.09 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 0.00 125 L 8.25 3.30 0.00 1.59 0.92 1.02 0.87 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 0.00 126 A 8.19 3.81 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 0.00 127 A 7.76 3.79 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 0.00 128 L 7.52 3.60 0.00 1.04 1.26 0.89 0.98 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 0.00 129 F 8.09 4.42 0.00 3.17 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 0.00 130 Q 8.22 3.93 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 131 K 7.92 4.01 0.00 1.88 1.74 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.53 7.81 132 G 7.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 F 8.08 4.04 0.00 3.28 3.24 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 0.00 134 D 8.44 4.37 0.00 2.86 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 0.00 135 V 7.82 3.56 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 1.08 0.00 0.00 0.91 0.00 0.00 136 S 8.13 4.66 0.00 4.31 4.18 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 0.00 137 D 7.92 4.07 0.00 2.53 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 0.00 138 E 8.12 3.92 0.00 1.96 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 2.31 2.34 0.00 139 E 8.30 4.29 0.00 2.05 1.95 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 2.29 2.55 0.00 140 G 7.72 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 D 8.02 4.61 0.00 2.68 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 S 8.10 4.11 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 0.00 143 V 7.60 3.52 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.90 0.00 0.00 144 T 7.92 3.72 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 1.31 0.00 0.00 145 N 8.22 4.38 0.00 2.65 2.80 0.00 0.00 6.39 9.27 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 0.00 146 D 8.08 4.36 0.00 2.76 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 0.00 147 I 7.47 3.55 1.70 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.96 0.49 0.00 0.00 148 F 8.00 3.95 0.00 3.34 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 0.00 149 N 8.32 4.37 0.00 3.32 3.03 0.00 0.00 6.76 7.86 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 0.00 150 V 8.21 3.55 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 0.99 0.00 0.00 0.99 0.00 0.00 151 A 7.40 3.42 -0.07 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 0.00 0.00 152 K 8.05 3.97 0.00 2.12 1.99 0.00 1.61 0.00 0.00 1.53 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.53 7.81 153 A 8.03 3.99 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 0.00 154 S 7.92 4.10 0.00 4.09 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 0.00 155 I 7.86 3.52 1.98 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.78 0.76 0.00 0.00 156 E 8.46 4.00 0.00 2.16 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 2.34 2.47 0.00 157 K 8.11 4.25 0.00 2.07 2.03 0.00 1.72 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.74 1.92 7.81 158 H 8.36 4.44 0.00 3.43 3.42 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 I 8.26 3.83 2.16 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 1.56 1.16 1.00 0.00 0.00 160 W 8.44 4.45 0.00 3.40 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 M 7.91 3.32 0.00 1.91 2.03 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.01 0.00 162 L 8.45 4.01 0.00 1.74 1.61 0.76 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 163 Q 8.23 3.98 0.00 2.38 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.74 0.00 164 A 8.13 4.02 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 0.00 165 E 8.09 3.97 0.00 2.26 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 0.00 2.37 2.46 0.00 166 L 7.62 4.41 0.00 1.77 1.64 0.80 0.91 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 0.00 167 G 8.18 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 0.00 0.00 0.00 168 Q 8.38 4.66 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 169 A 8.37 4.33 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 0.00 170 P 0.00 4.39 0.00 2.13 2.29 0.00 3.89 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.40 0.00 171 K 8.11 3.83 0.00 1.88 1.85 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.64 7.81 172 L 7.84 4.18 0.00 1.63 1.58 0.93 0.95 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