NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2236 8.1633 120.2784 54.7170 33.3065 174.2585 2 K 4.0495 8.4924 126.1690 56.1240 32.5070 175.6967 3 G 3.9649 8.5742 113.6121 44.7510 0.0000 172.0902 4 D 4.5824 8.4534 119.5738 54.2986 41.9506 177.0778 5 T 3.8649 8.8724 122.7989 66.8588 68.5405 176.6570 6 K 3.8419 8.1680 120.9391 59.1431 32.1813 178.8317 7 V 3.9078 8.6742 119.0518 66.1666 31.3938 177.9303 8 I 3.7248 7.7824 119.4246 64.6894 36.8953 178.1394 9 N 4.2712 8.2224 117.1479 56.3568 38.2955 177.1277 10 Y 4.0472 8.0572 118.1079 61.0970 38.0031 178.3551 11 L 3.9249 8.7038 120.2721 58.2057 41.7221 179.5607 12 N 4.2878 8.4988 116.4861 55.9408 38.3962 177.5227 13 K 3.8622 8.1631 121.3798 59.3774 32.3486 178.8539 14 L 3.8052 8.1657 119.6303 57.6805 41.4180 179.0170 15 L 3.9462 7.9971 120.6176 58.2906 41.9308 179.2656 16 G 3.6084 8.1236 105.5054 47.8578 0.0000 175.3673 17 N 4.3521 8.0382 118.8245 56.1789 38.5558 177.3178 18 E 4.0814 8.3079 119.8920 59.5942 29.0923 179.5098 19 L 4.1674 8.2663 118.7932 57.3403 41.5503 180.0288 20 V 3.6299 7.7394 112.2660 64.2192 31.4525 178.1023 21 A 3.8631 8.1365 120.5877 55.2562 18.1859 179.6008 22 I 3.7598 8.1901 118.4763 64.8308 37.2102 178.4949 23 N 4.4045 7.8264 116.0066 56.4270 38.4432 177.4303 24 Q 3.8533 8.4264 121.3951 59.2280 29.0870 177.9200 25 Y 4.3270 8.2339 118.0348 60.9234 37.9676 177.7436 26 F 3.7853 8.4619 121.6310 61.1201 39.4480 176.8279 27 L 3.9117 8.2229 119.8492 58.5206 41.8755 178.3401 28 H 3.7569 8.1334 115.7895 58.8907 28.6254 177.0717 29 A 4.1359 8.3374 122.5817 55.8640 18.1128 180.0138 30 R 3.7900 7.7223 115.3611 58.7033 30.0955 179.3467 31 M 3.3931 7.8585 119.4648 58.1731 31.8934 178.5080 32 F 4.6182 7.6093 118.2250 60.5211 39.0412 177.7233 33 K 3.9424 8.2652 119.2734 59.4841 31.8332 178.0318 34 N 4.2224 7.8589 116.0599 56.7971 38.9172 176.2918 35 W 4.7638 7.8670 116.7077 57.5386 29.3055 177.2909 36 G 4.0256 8.3241 107.9305 45.7934 0.0000 175.2001 37 L 4.4836 8.0327 121.8037 53.2248 38.0303 177.1373 38 K 3.8655 7.9628 122.6570 59.7831 32.5953 177.5814 39 R 3.9348 8.3001 119.1301 59.2458 29.9678 178.4228 40 L 4.1454 7.7765 118.3464 57.2693 41.5964 178.7658 41 N 4.4362 8.0954 117.0038 56.7300 38.9641 176.5008 42 D 4.3231 7.9882 120.2758 57.4506 40.9953 179.1286 43 V 3.3235 7.6126 118.2431 66.0962 31.5249 177.9491 44 E 3.7518 8.3338 118.4403 59.2783 29.2731 178.5981 45 Y 3.9025 8.1397 119.7332 61.2143 38.8986 178.1693 46 H 4.2051 8.2364 116.4128 58.3113 28.6562 177.5840 47 E 3.6835 7.7649 120.8949 58.6270 29.1866 178.7172 48 S 4.0942 8.0375 113.7651 61.6224 62.3407 176.2746 49 I 3.5559 7.2720 122.1135 64.4608 36.8148 177.8789 50 D 4.2686 7.7929 119.4498 57.7486 40.6360 179.1086 51 E 4.1954 8.3355 118.7117 59.4643 29.3792 179.3740 52 M 4.0662 8.0516 119.0201 58.3071 31.9994 178.8145 53 K 3.9487 8.1441 118.7928 59.6776 32.1640 179.1208 54 H 4.0954 8.1982 116.1878 58.8097 28.6259 177.5214 55 A 4.2498 8.3440 122.8156 55.3988 18.1550 178.9792 56 D 4.3111 8.2427 116.3738 57.7187 41.2487 178.7994 57 R 3.8526 7.9119 118.3242 59.4292 30.0083 178.5544 58 Y 4.3138 7.8057 116.4299 61.3153 37.9135 178.9142 59 I 3.7784 8.2679 120.9437 64.6193 37.2124 178.4699 60 E 4.0716 8.5078 119.4966 59.0301 29.2318 179.5057 61 R 4.0033 8.0966 118.9683 59.5362 30.2080 178.2599 62 I 3.7436 8.4550 119.9852 64.7268 37.1753 178.3266 63 L 4.0173 8.1279 119.4248 57.7367 41.2118 179.4480 64 F 4.3669 8.1603 119.6148 61.2868 39.7305 176.6699 65 L 4.3205 8.2996 117.2865 54.0436 40.9554 177.1432 66 E 3.6249 7.9862 117.4957 57.4692 27.2230 174.4632 67 G 3.9750 8.1561 108.4581 43.9808 0.0000 173.5421 68 L 4.5217 8.0371 119.1409 52.0457 42.0348 175.1821 69 P 4.3800 0.0000 0.0000 62.5812 31.7624 175.9341 70 N 4.7115 9.5517 122.1988 52.4142 38.7363 173.9091 71 L 4.6036 8.2969 124.2372 54.5541 42.4025 177.5807 72 Q 4.1089 8.6140 122.2790 58.3089 29.2968 175.9798 73 D 4.6895 8.0410 116.6957 52.8667 41.9995 175.2900 74 L 4.5832 8.2611 125.1419 52.7330 44.0978 176.5855 75 G 3.8076 8.4603 115.4158 44.8434 0.0000 171.7501 76 K 4.1056 8.3124 120.6919 55.7373 32.4738 176.6032 77 L 4.0951 8.3847 126.8508 54.3718 42.2723 176.0667 78 N 4.8187 8.6468 121.6850 51.9898 39.8213 174.2393 79 I 3.8868 8.4958 126.5620 63.9554 37.7841 177.9805 80 G 4.3554 8.1764 102.9279 45.4983 0.0000 172.8549 81 E 4.7367 8.7560 117.4945 56.0098 31.2335 176.0912 82 D 4.9219 7.6724 118.1354 50.3230 43.9795 175.8930 83 V 4.0421 8.5606 119.4114 66.5966 31.3140 177.6283 84 E 3.8386 8.1741 117.9627 59.4576 29.4400 178.0544 85 E 3.9878 8.5106 119.4882 59.5303 29.5844 178.6982 86 M 4.1146 8.2580 116.9378 58.1366 31.5295 178.4916 87 L 4.1554 8.4760 120.5838 57.7017 41.8454 179.5411 88 R 3.8991 8.4703 118.9704 59.3214 29.9446 178.5850 89 S 4.1304 8.1137 113.2305 61.2825 62.4010 175.7118 90 D 4.2218 8.2169 121.6949 57.2669 40.5134 178.4603 91 L 4.0063 8.2322 120.5860 58.3487 42.0410 178.9710 92 A 3.9895 8.0966 120.5532 54.9529 18.2575 179.4023 93 L 3.8869 7.8470 119.0221 58.2557 42.0732 179.1239 94 E 4.0448 8.3924 118.5604 59.4999 29.6033 179.1857 95 L 4.0176 8.2125 119.2399 58.1301 41.7173 179.4743 96 D 4.5174 8.5090 119.0051 57.2139 40.6431 179.0903 97 G 3.6277 8.3305 106.2261 47.6252 0.0000 175.7149 98 A 4.0191 8.3801 123.4755 54.6611 18.4824 179.3473 99 K 3.7980 7.9590 117.8528 60.0419 32.2952 178.5024 100 N 4.3758 8.1337 116.3357 56.4341 38.4618 177.3919 101 L 3.9989 8.2145 120.3210 57.9395 41.6403 179.6907 102 R 3.9112 8.3642 118.3753 59.2421 29.9817 178.8136 103 E 3.8628 8.0760 118.3033 59.2397 29.6819 178.7440 104 A 2.8239 7.7734 120.7722 54.7157 18.3780 179.7080 105 I 3.7419 7.8844 118.6005 64.4431 36.9528 178.8832 106 G 3.6024 7.5956 105.3506 47.8572 0.0000 174.8829 107 Y 4.0943 7.6996 121.1927 60.2493 38.8426 177.2013 108 A 3.7893 8.3019 122.2096 55.4524 18.5064 179.0946 109 D 4.0664 7.9126 116.3033 57.2522 41.0812 178.2642 110 S 4.2105 7.4857 113.0018 59.8282 63.3874 175.6834 111 V 3.9882 6.8529 114.0764 60.7318 31.6079 175.4797 112 H 2.7841 6.9871 113.8938 56.7372 26.9100 176.4288 113 D 4.5205 7.4007 121.4084 53.4896 37.8532 176.1741 114 Y 4.2911 7.4711 121.1694 60.5908 38.3797 177.9828 115 V 3.7943 7.8499 113.1646 64.0753 31.8095 178.3829 116 S 4.1619 8.3098 114.9797 61.6008 62.6170 176.6203 117 R 3.8749 8.1143 121.2004 59.5096 29.8472 177.9202 118 D 4.3083 8.4601 118.0269 57.6973 41.3298 177.7082 119 M 3.9662 8.2574 118.7918 59.1605 32.0463 178.1495 120 M 4.1294 8.2341 118.7718 58.3683 32.1548 178.7603 121 I 3.7122 8.1253 120.3716 64.3165 37.3379 178.3199 122 E 3.9617 8.1529 119.3881 59.4578 29.2970 179.4173 123 I 3.5494 7.5750 119.6180 64.2372 37.0664 178.1352 124 L 3.9415 8.1827 121.4359 58.2279 41.9979 178.8834 125 R 3.8746 8.0826 118.5141 59.7130 29.9804 178.2449 126 D 4.3569 7.9711 118.3189 57.3433 40.7532 178.6335 127 E 3.9993 8.2610 119.2845 59.3040 29.3767 178.9919 128 E 4.1280 8.5960 119.8608 59.0050 29.6803 178.9774 129 G 3.7040 7.9863 105.4217 48.2513 0.0000 175.2406 130 H 4.4205 8.1976 118.9081 58.6926 28.6750 177.8423 131 I 3.8072 8.3538 121.9475 64.5296 36.9782 177.7743 132 D 4.3821 8.4574 118.9705 57.2144 41.0166 178.3102 133 W 4.1141 8.4063 128.6423 60.4325 30.7252 177.8393 134 L 3.7539 8.4631 119.1242 57.9550 41.1543 179.3671 135 E 3.9094 8.4593 118.6007 59.6991 29.3105 179.6788 136 T 3.7871 7.9091 115.5695 66.5567 68.5401 176.4350 137 E 3.7553 7.6190 120.3308 59.4850 29.2468 179.3893 138 L 3.7768 7.8101 118.9312 58.0166 41.5617 179.5120 139 D 4.3764 8.1064 118.6405 57.2242 40.6557 178.6787 140 L 3.9631 8.1944 119.9473 57.8468 41.5736 179.5443 141 I 3.4232 7.4353 119.6659 64.4298 36.7281 178.5479 142 Q 3.9287 7.3578 116.2512 58.8352 28.6593 178.5452 143 K 4.1293 8.1582 118.9224 59.0924 32.2646 178.5446 144 M 4.3709 8.3913 114.8640 54.1530 32.4240 177.4116 145 G 4.0883 7.5872 105.0374 45.8240 0.0000 174.4072 146 L 3.9672 8.3679 120.7716 58.0048 42.1617 179.2505 147 Q 3.9884 8.0289 117.4473 59.2727 28.7902 178.4397 148 N 4.3477 8.1859 116.8274 56.4078 38.3489 176.6565 149 Y 3.9248 7.8872 119.9650 60.6880 39.1511 177.8302 150 L 4.0957 8.3967 120.2648 57.9565 41.6114 179.3108 151 Q 3.9005 8.1855 119.1455 59.0286 28.7418 177.8232 152 A 4.0963 7.6496 119.9349 53.6185 18.6177 178.2475 153 Q 4.3239 7.8539 115.9670 55.6194 29.1785 177.5857 154 I 3.8823 7.3655 121.9157 63.3852 37.4259 176.6254 155 R 4.6521 7.5514 117.9911 53.7141 32.3111 175.6290 156 E 4.1275 8.7225 118.8556 56.6678 29.5912 176.6525 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 4.22 0.00 1.51 1.77 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 2.47 0.00 2 K 8.49 4.05 0.00 1.71 1.71 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.47 7.81 3 G 8.57 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 0.00 0.00 0.00 4 D 8.45 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 8.87 3.86 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 3.84 0.00 1.71 1.95 0.00 1.41 0.00 0.00 0.96 0.00 0.00 2.54 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.81 1.02 7.81 7 V 8.67 3.91 2.34 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 1.12 0.00 0.00 1.15 0.00 0.00 8 I 7.78 3.72 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 0.69 0.92 0.00 0.00 9 N 8.22 4.27 0.00 2.48 2.69 0.00 0.00 7.08 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 10 Y 8.06 4.05 0.00 3.31 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 8.70 3.92 0.00 2.03 1.81 1.11 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.50 4.29 0.00 2.79 2.82 0.00 0.00 6.71 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 13 K 8.16 3.86 0.00 1.81 1.97 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.45 7.81 14 L 8.17 3.81 0.00 1.01 1.11 0.96 0.52 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 8.00 3.95 0.00 1.68 1.84 1.02 1.32 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 8.12 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 17 N 8.04 4.35 0.00 2.97 2.91 0.00 0.00 7.04 7.69 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 18 E 8.31 4.08 0.00 2.26 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 2.74 2.89 0.00 19 L 8.27 4.17 0.00 1.66 1.73 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.74 3.63 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 0.82 0.00 0.00 0.95 0.00 0.00 21 A 8.14 3.86 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.19 3.76 2.04 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 1.55 1.05 0.90 0.00 0.00 23 N 7.83 4.40 0.00 2.91 2.86 0.00 0.00 6.74 7.83 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 24 Q 8.43 3.85 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.83 0.00 0.00 0.00 0.00 0.00 2.18 2.07 0.00 25 Y 8.23 4.33 0.00 3.23 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 26 F 8.46 3.79 0.00 3.41 3.15 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 0.00 0.00 0.00 27 L 8.22 3.91 0.00 1.96 1.58 0.89 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 28 H 8.13 3.76 0.00 3.54 3.22 0.00 5.72 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 8.34 4.14 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 30 R 7.72 3.79 0.00 1.71 1.87 0.00 3.24 0.00 0.00 3.06 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.60 0.00 31 M 7.86 3.39 0.00 0.88 1.63 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.11 0.00 32 F 7.61 4.62 0.00 3.30 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 33 K 8.27 3.94 0.00 1.98 1.88 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.42 7.81 34 N 7.86 4.22 0.00 2.67 2.69 0.00 0.00 7.35 7.96 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 35 W 7.87 4.76 0.00 3.77 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 8.32 4.03 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 0.00 0.00 0.00 37 L 8.03 4.48 0.00 2.21 1.68 1.02 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.96 3.87 0.00 1.99 1.82 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.57 7.81 39 R 8.30 3.93 0.00 2.01 2.02 0.00 3.47 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 40 L 7.78 4.15 0.00 1.70 1.12 1.10 0.30 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 41 N 8.10 4.44 0.00 3.10 2.99 0.00 0.00 7.09 9.28 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 42 D 7.99 4.32 0.00 2.88 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 7.61 3.32 1.76 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 -0.55 0.00 0.00 0.77 0.00 0.00 44 E 8.33 3.75 0.00 2.20 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 2.64 3.12 0.00 45 Y 8.14 3.90 0.00 2.95 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 8.24 4.21 0.00 3.23 3.22 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 7.76 3.68 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 1.93 2.02 0.00 48 S 8.04 4.09 0.00 3.94 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 49 I 7.27 3.56 1.85 0.00 0.00 0.52 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 0.55 0.85 0.00 0.00 50 D 7.79 4.27 0.00 2.84 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 51 E 8.34 4.20 0.00 2.17 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 0.00 2.69 2.79 0.00 52 M 8.05 4.07 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.55 0.00 53 K 8.14 3.95 0.00 1.88 1.82 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.64 7.81 54 H 8.20 4.10 0.00 3.57 3.48 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 8.34 4.25 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 8.24 4.31 0.00 2.92 2.87 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 0.00 0.00 0.00 57 R 7.91 3.85 0.00 1.82 1.76 0.00 3.14 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 58 Y 7.81 4.31 0.00 3.24 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.27 3.78 2.04 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 0.93 0.95 0.00 0.00 60 E 8.51 4.07 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 2.64 0.00 61 R 8.10 4.00 0.00 2.16 2.21 0.00 3.36 0.00 0.00 3.25 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 8.46 3.74 2.07 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 1.59 0.83 0.98 0.00 0.00 63 L 8.13 4.02 0.00 2.10 1.80 0.95 0.95 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 64 F 8.16 4.37 0.00 3.02 3.31 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 65 L 8.30 4.32 0.00 1.68 1.62 1.04 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.99 3.62 0.00 2.05 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 2.17 2.28 0.00 67 G 8.16 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 68 L 8.04 4.52 0.00 1.62 1.63 0.92 0.99 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 69 P 0.00 4.38 0.00 2.06 2.03 0.00 3.66 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 9.55 4.71 0.00 2.59 2.82 0.00 0.00 7.10 8.02 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 71 L 8.30 4.60 0.00 1.64 1.65 0.94 0.98 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 72 Q 8.61 4.11 0.00 1.97 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.55 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 73 D 8.04 4.69 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 8.26 4.58 0.00 1.52 1.50 0.91 1.04 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 8.46 3.81 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 0.00 0.00 0.00 76 K 8.31 4.11 0.00 1.72 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.38 4.10 0.00 1.64 1.56 0.90 0.97 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 78 N 8.65 4.82 0.00 2.64 2.70 0.00 0.00 7.23 7.95 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 79 I 8.50 3.89 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 0.94 0.00 0.00 80 G 8.18 4.36 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 0.00 81 E 8.76 4.74 0.00 2.00 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 2.31 0.00 82 D 7.67 4.92 0.00 2.77 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 83 V 8.56 4.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 1.24 0.00 0.00 84 E 8.17 3.84 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 2.32 2.26 0.00 85 E 8.51 3.99 0.00 2.25 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 2.35 2.36 0.00 86 M 8.26 4.11 0.00 2.35 1.78 0.00 0.00 0.00 0.00 0.00 1.29 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 8.48 4.16 0.00 2.00 1.78 1.23 0.61 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 88 R 8.47 3.90 0.00 2.11 1.94 0.00 3.09 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 89 S 8.11 4.13 0.00 4.07 4.07 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 90 D 8.22 4.22 0.00 3.13 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.23 4.01 0.00 1.81 1.89 0.98 1.00 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 92 A 8.10 3.99 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 93 L 7.85 3.89 0.00 1.89 1.80 0.90 0.82 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 94 E 8.39 4.04 0.00 2.28 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 2.61 2.72 0.00 95 L 8.21 4.02 0.00 2.02 1.75 0.96 1.41 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 8.51 4.52 0.00 2.70 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 3.63 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 98 A 8.38 4.02 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 99 K 7.96 3.80 0.00 2.05 2.03 0.00 1.67 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 4.38 0.00 2.99 2.92 0.00 0.00 7.14 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 0.00 101 L 8.21 4.00 0.00 2.00 1.74 0.98 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.36 3.91 0.00 1.95 1.99 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 1.96 0.00 103 E 8.08 3.86 0.00 2.07 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 2.38 2.38 0.00 104 A 7.77 2.82 1.04 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 0.00 0.00 105 I 7.88 3.74 2.03 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 1.06 0.91 0.00 0.00 106 G 7.60 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 7.70 4.09 0.00 3.15 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 0.00 108 A 8.30 3.79 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 0.00 109 D 7.91 4.07 0.00 2.85 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 S 7.49 4.21 0.00 3.96 3.87 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 0.00 0.00 0.00 111 V 6.85 3.99 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 0.60 0.00 0.00 0.66 0.00 0.00 112 H 6.99 2.78 0.00 3.19 3.31 0.00 5.84 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.40 4.52 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 7.47 4.29 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 3.79 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 0.92 0.00 0.00 0.98 0.00 0.00 116 S 8.31 4.16 0.00 4.17 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 0.00 117 R 8.11 3.87 0.00 1.96 2.20 0.00 3.33 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 118 D 8.46 4.31 0.00 2.94 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 0.00 119 M 8.26 3.97 0.00 2.23 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 2.48 2.45 0.00 120 M 8.23 4.13 0.00 2.15 2.26 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 2.90 2.78 0.00 121 I 8.13 3.71 2.00 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 0.93 0.91 0.00 0.00 122 E 8.15 3.96 0.00 2.14 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 7.58 3.55 1.94 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.52 0.71 0.00 0.00 124 L 8.18 3.94 0.00 1.84 1.85 0.95 1.02 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 0.00 125 R 8.08 3.87 0.00 2.03 2.15 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 1.69 0.00 126 D 7.97 4.36 0.00 3.03 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 0.00 127 E 8.26 4.00 0.00 2.15 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 2.58 2.53 0.00 128 E 8.60 4.13 0.00 2.26 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 2.34 2.36 0.00 129 G 7.99 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 0.00 130 H 8.20 4.42 0.00 3.65 3.59 0.00 5.65 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 8.35 3.81 2.12 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 0.95 0.97 0.00 0.00 132 D 8.46 4.38 0.00 2.96 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 8.41 4.11 0.00 3.56 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 0.00 134 L 8.46 3.75 0.00 1.96 1.75 1.28 1.45 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 8.46 3.91 0.00 2.18 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 2.33 2.48 0.00 136 T 7.91 3.79 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 137 E 7.62 3.76 0.00 1.54 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 138 L 7.81 3.78 0.00 1.70 1.62 0.89 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.11 4.38 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 8.19 3.96 0.00 1.88 1.85 0.96 0.66 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 0.00 141 I 7.44 3.42 1.71 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 -0.23 -0.31 0.69 0.00 0.00 142 Q 7.36 3.93 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 143 K 8.16 4.13 0.00 1.71 1.86 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.65 7.81 144 M 8.39 4.37 0.00 2.18 2.20 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 2.66 2.83 0.00 145 G 7.59 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 0.00 0.00 0.00 146 L 8.37 3.97 0.00 1.74 1.66 0.93 0.68 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 0.00 147 Q 8.03 3.99 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.66 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 148 N 8.19 4.35 0.00 2.98 2.89 0.00 0.00 6.66 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 7.89 3.92 0.00 3.05 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 8.40 4.10 0.00 2.02 1.71 1.08 0.89 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 8.19 3.90 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 152 A 7.65 4.10 1.21 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 0.00 153 Q 7.85 4.32 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.76 0.00 0.00 0.00 0.00 0.00 2.08 2.20 0.00 154 I 7.37 3.88 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 1.31 0.46 0.91 0.00 0.00 155 R 7.55 4.65 0.00 1.75 1.80 0.00 3.20 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 156 E 8.72 4.13 0.00 2.10 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 2.26 2.29 0.00