NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.8686 8.1676 115.8634 57.2432 40.0750 177.1651 11 H 4.0697 5.6849 117.4194 56.5630 28.8547 174.0882 12 E 4.4493 8.1901 121.4901 59.1819 30.4716 179.0707 13 M 4.5946 7.2442 115.0971 55.6821 31.6343 177.1382 14 R 4.4791 7.3933 118.3056 55.8347 32.8701 175.9618 15 E 3.9285 8.2479 117.5798 55.3640 29.7511 174.9465 16 P 4.4302 0.0000 0.0000 62.8259 32.3768 174.4342 17 R 4.2008 7.5366 114.3174 56.1192 33.1905 173.5723 18 I 4.4143 8.3103 120.3674 60.1189 37.6078 175.7062 19 E 4.2430 9.2337 130.2171 58.6550 30.0965 176.7435 20 K 4.7377 7.5559 115.6964 55.8696 36.1258 174.7640 21 V 4.4835 8.8637 122.2985 61.4037 34.1913 174.7404 22 V 5.1414 8.3496 129.8593 60.8776 32.7203 174.5428 23 V 4.8768 7.7738 121.8895 59.3865 33.4880 174.8122 24 H 5.0851 8.5440 123.8494 55.0474 33.6440 171.8719 25 M 4.7179 8.5183 124.3570 53.0743 33.2062 174.1765 26 G 3.4275 7.9912 109.7957 47.4215 0.0000 170.1229 27 I 3.8634 9.7270 130.3572 59.6974 36.8111 176.3042 28 G 4.1824 8.2150 122.4898 45.8720 0.0000 172.2556 29 H 4.8562 7.4156 119.2216 55.6028 31.2829 174.1526 *35 A 4.3814 7.3617 124.5357 51.9417 19.0114 179.4030 36 N 4.4058 9.4188 120.8235 55.8868 37.2917 175.6917 37 A 4.2746 7.7902 121.4146 53.2640 19.5396 178.9015 38 E 3.9575 8.4171 116.7262 59.5751 29.0332 178.8043 39 D 4.4144 8.2268 118.4720 57.4644 40.8287 179.0921 40 I 3.9148 7.4161 114.3707 63.6159 37.7846 178.3498 41 L 4.2375 7.9876 120.7857 57.2290 41.1103 179.5071 42 G 3.7056 8.3869 105.4192 46.8824 0.0000 175.0702 43 E 4.1850 7.4397 119.9953 58.5235 30.2512 178.2464 44 I 3.8987 8.2594 117.6054 63.3242 38.0186 176.9084 45 T 4.5152 7.6432 109.2846 63.2963 70.0386 175.5618 46 G 4.0996 7.6968 107.3444 44.7543 0.0000 172.8690 47 Q 4.6553 7.2841 115.2283 53.7350 31.7911 174.9694 48 M 4.0535 8.5056 118.3227 55.2697 32.3576 174.6579 49 P 4.9400 0.0000 0.0000 61.7701 33.9091 174.8161 50 V 4.5898 8.5968 112.6612 59.3388 35.5779 176.0787 51 R 4.5656 8.5928 121.7430 56.6399 31.3180 176.4993 52 T 4.4800 8.8494 117.7947 61.8509 70.8785 174.2646 53 K 4.6341 8.8768 125.4095 55.2096 33.5987 175.6670 54 A 4.8883 8.0246 121.6544 50.2542 22.4731 174.8669 55 K 4.6080 8.0390 116.9111 55.0640 36.3743 173.1880 56 R 3.8276 8.6096 126.5472 55.8537 30.0677 176.7052 57 T 4.4156 8.2668 117.6523 63.1503 69.5802 174.3978 58 V 4.4422 8.9837 124.5511 60.6696 34.4014 176.4217 59 G 3.8310 9.1808 116.4594 48.9142 0.0000 174.1886 60 E 4.1261 8.2040 117.3471 59.5245 27.6079 177.4049 61 F 4.1811 7.5737 124.5081 60.4531 38.7681 175.5648 62 D 4.8240 8.4773 123.4994 52.9699 41.2925 175.4324 63 I 4.0990 7.5484 111.1774 61.0435 39.0276 176.8537 64 R 4.1632 7.5414 121.9346 54.4571 28.6902 175.0068 65 E 3.4802 8.2555 123.6703 60.2673 29.8700 176.4589 66 G 3.8534 8.1954 109.5763 46.5439 0.0000 172.4598 67 D 4.7438 8.5386 125.9297 51.9061 41.6193 174.1696 68 P 4.4345 0.0000 0.0000 64.1034 31.5239 176.0237 69 I 4.6435 8.5207 120.6027 61.8124 43.6043 174.2938 70 G 4.2551 7.8711 107.3237 46.1199 0.0000 171.6738 71 A 5.3955 8.0305 119.7417 50.9933 23.0844 175.5848 72 K 5.0162 9.0877 118.2077 55.8278 36.9519 175.0552 73 V 4.7442 8.7577 120.0676 61.3052 35.2187 173.8560 74 T 4.8344 8.5259 117.3080 60.0373 70.5474 173.1110 75 L 4.7684 8.8876 127.0027 53.0426 44.2723 175.9759 76 R 4.8058 7.8978 119.8295 54.7060 34.2624 176.0093 77 D 4.3569 8.9632 120.8247 55.6123 39.2363 176.1560 78 E 3.9606 9.0178 124.4301 61.0642 29.4197 178.2372 79 M 4.0437 8.2584 117.7354 58.7619 31.9457 178.4945 80 A 4.1045 7.9375 119.9802 55.1598 18.6432 179.0750 81 E 3.9129 8.3940 116.3887 59.8526 29.5330 179.6074 82 E 3.9120 8.5210 117.3381 59.1018 29.7692 179.2178 83 F 4.3522 7.7567 119.4904 61.1065 39.6906 177.4064 84 L 4.0525 8.1300 118.6009 57.8724 41.1552 179.2433 85 Q 3.9184 8.0236 117.7660 58.9409 28.8256 178.7384 86 T 4.2744 7.6160 106.5390 61.9362 69.9430 175.8411 87 A 4.1743 7.4217 124.1076 54.4556 19.3745 178.9339 88 L 3.5603 8.0606 117.9184 57.7716 41.5349 178.1149 89 P 4.1859 0.0000 0.0000 65.5426 31.3093 178.1787 90 L 4.1820 7.8824 116.0536 55.4755 41.7072 176.2021 91 A 4.8248 7.5391 120.9858 50.2651 21.7122 176.3352 92 E 4.5418 8.1346 118.3052 53.6190 29.7995 175.8374 93 L 4.0403 8.0323 121.4089 54.9233 42.5639 176.6462 94 A 5.4247 8.0250 122.3724 50.2275 22.1517 175.6625 95 T 4.1138 8.5032 113.0918 66.6256 69.1434 176.4431 96 S 4.3128 8.3197 115.4539 61.8561 62.4855 176.3225 97 Q 4.2999 8.4122 116.4797 56.9121 28.5227 175.6394 98 F 4.9307 8.1994 117.1779 55.4190 41.3245 175.7885 99 D 4.7173 10.1250 123.0694 54.4050 42.1549 175.2236 100 D 4.8642 8.6157 116.9368 54.8121 41.7691 177.1671 101 T 4.3988 7.4986 114.3716 62.9027 69.6999 175.0852 102 G 4.3511 8.4798 110.3319 46.0331 0.0000 173.0427 103 N 5.1777 8.2460 115.6270 51.2756 41.8562 173.5915 104 F 5.0508 7.7130 111.8788 56.6061 41.3653 172.9896 105 S 5.1137 8.7543 116.9488 56.5566 65.2235 172.5919 106 F 4.8928 8.9838 120.9876 54.5347 41.4487 173.0359 107 G 4.2663 9.1832 102.4817 44.8929 0.0000 175.3121 *128 L 3.9876 8.4945 127.2334 55.0763 43.4067 175.3950 129 D 5.0249 8.6827 126.7299 53.0858 43.4884 176.2815 130 V 4.2127 8.6621 121.1978 61.5164 34.4491 174.1378 131 T 4.5450 8.2417 124.9830 61.5239 70.9092 173.7214 132 V 4.4547 7.8354 125.6481 61.0540 34.1187 173.7449 133 N 4.8796 8.9574 128.2663 52.3471 39.9007 173.5562 134 L 5.2587 8.1763 126.3524 53.4827 43.7763 176.1525 135 V 4.2212 7.8702 119.3160 60.9625 34.8703 172.6889 136 R 3.6759 8.7929 120.5586 56.2144 30.6724 174.8865 137 P 3.3966 0.0000 0.0000 66.0499 32.6221 177.8780 138 G 4.0030 8.2077 111.1189 45.8269 0.0000 174.5511 139 Y 4.2744 7.9719 120.9041 60.0881 39.1873 175.8283 140 R 3.8038 8.2452 119.6181 59.6782 29.8894 178.0132 141 V 3.5767 7.4620 116.0927 65.3398 31.1334 176.8194 142 A 5.1146 7.5651 118.9740 51.1238 19.6135 177.1230 143 K 4.2901 7.8027 115.6226 55.7304 33.6605 176.6999 144 R 4.2874 7.5543 115.3324 55.4558 30.6541 176.5126 145 D 4.4448 8.4411 117.7705 57.1069 41.6063 177.6554 146 K 4.0206 7.9552 118.4319 57.4773 32.8745 177.1565 147 A 3.9567 8.5170 123.9293 52.6780 16.1249 176.5948 148 S 4.5305 7.2008 114.9563 60.0854 64.3995 173.4563 149 R 4.5099 8.8045 118.2782 55.4977 33.7590 173.2383 150 S 4.7469 8.5140 118.6214 57.0605 63.5481 173.9072 151 I 3.7834 8.3091 127.9582 60.7071 37.5603 174.3416 152 P 4.4208 0.0000 0.0000 62.6160 32.2232 177.2595 153 T 3.9178 8.7293 112.1244 65.3770 68.0119 176.6015 154 K 4.0067 8.0657 119.7224 59.1638 32.2260 177.7001 155 H 4.5146 8.0918 115.9646 55.9667 30.4717 175.5256 156 R 4.1636 7.1779 119.4737 56.2129 30.5883 176.3456 157 L 4.1800 8.3213 123.3694 55.0879 43.1148 176.2301 158 N 5.1313 8.2595 120.0432 50.5069 42.6907 174.2052 159 P 4.2698 0.0000 0.0000 65.8824 31.5359 178.7118 160 A 3.8721 7.9784 118.7944 55.5730 18.1608 179.3262 161 D 4.3651 8.0542 116.3587 57.1997 40.8499 178.7779 162 A 4.1788 8.5014 121.9139 55.1426 18.5293 179.4302 163 V 3.1046 7.9701 116.5527 66.1188 31.4526 177.4831 164 A 3.9812 8.6463 118.7969 54.0274 17.5898 180.1402 165 F 3.9083 6.6693 121.2614 60.1039 41.0921 177.0083 166 I 3.5110 8.1541 119.8597 64.1994 36.7088 177.6903 167 E 4.2160 8.4204 122.1649 58.8418 29.4510 179.3203 168 S 4.5304 8.2651 108.5534 58.1317 62.9508 174.9937 169 T 4.6210 8.0080 117.4907 63.4111 70.6020 172.7248 170 Y 3.3511 8.1974 127.7704 57.3460 34.7080 168.8798 171 D 4.4039 7.1126 118.2417 53.7433 40.7969 175.1181 172 V 4.3314 7.7171 119.5799 61.2977 34.5416 175.6324 173 E 4.5533 8.3053 122.0651 57.1811 28.3699 176.2214 174 V 3.6706 7.6458 116.8530 61.8750 31.9062 175.0930 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 10 F 8.17 4.87 0.00 3.33 3.41 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 11 H 5.68 4.07 0.00 3.13 2.63 0.00 5.46 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.19 4.45 0.00 1.68 1.77 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 2.29 2.19 0.00 13 M 7.24 4.59 0.00 2.27 2.09 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 2.64 2.63 0.00 14 R 7.39 4.48 0.00 1.90 1.92 0.00 3.30 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.86 0.00 15 E 8.25 3.93 0.00 2.16 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 2.46 2.25 0.00 16 P 0.00 4.43 0.00 0.66 1.62 0.00 3.57 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.96 0.00 17 R 7.54 4.20 0.00 1.82 1.86 0.00 2.73 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.45 0.00 18 I 8.31 4.41 1.95 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 1.40 0.88 0.94 0.00 0.00 19 E 9.23 4.24 0.00 1.75 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 2.26 2.23 0.00 20 K 7.56 4.74 0.00 1.77 1.80 0.00 1.44 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.32 1.33 7.81 21 V 8.86 4.48 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 0.87 0.00 0.00 0.97 0.00 0.00 22 V 8.35 5.14 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 0.95 0.00 0.00 0.84 0.00 0.00 23 V 7.77 4.88 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.66 0.00 0.00 24 H 8.54 5.09 0.00 3.20 2.97 0.00 5.61 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 25 M 8.52 4.72 0.00 1.91 1.87 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 2.43 2.39 0.00 26 G 7.99 3.43 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 0.00 27 I 9.73 3.86 1.85 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 1.16 0.79 0.73 0.00 0.00 28 G 8.22 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 0.00 0.00 0.00 29 H 7.42 4.86 0.00 3.17 3.35 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 A 7.36 4.38 1.09 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 36 N 9.42 4.41 0.00 2.84 2.96 0.00 0.00 5.87 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.79 4.27 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.42 3.96 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.61 0.00 39 D 8.23 4.41 0.00 2.68 2.74 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 40 I 7.42 3.91 1.88 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 1.82 1.29 0.92 0.00 0.00 41 L 7.99 4.24 0.00 1.82 1.71 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.39 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 7.44 4.19 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.51 0.00 44 I 8.26 3.90 1.96 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.88 1.06 0.00 0.00 45 T 7.64 4.52 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 0.85 0.00 0.00 46 G 7.70 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 0.00 0.00 0.00 0.00 47 Q 7.28 4.66 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.75 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 48 M 8.51 4.05 0.00 2.01 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 2.59 2.52 0.00 49 P 0.00 4.94 0.00 2.03 2.01 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 50 V 8.60 4.59 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 0.74 0.00 0.00 0.98 0.00 0.00 51 R 8.59 4.57 0.00 1.68 1.84 0.00 3.29 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 52 T 8.85 4.48 4.35 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 0.00 0.00 1.21 0.00 0.00 53 K 8.88 4.63 0.00 1.62 1.72 0.00 1.72 0.00 0.00 1.29 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.27 7.81 54 A 8.02 4.89 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 55 K 8.04 4.61 0.00 1.59 1.68 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.42 7.81 56 R 8.61 3.83 0.00 1.96 1.93 0.00 3.20 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 57 T 8.27 4.42 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 58 V 8.98 4.44 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 1.14 0.00 0.00 1.01 0.00 0.00 59 G 9.18 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 60 E 8.20 4.13 0.00 2.14 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 2.31 2.35 0.00 61 F 7.57 4.18 0.00 3.00 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 62 D 8.48 4.82 0.00 2.97 2.50 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 0.00 0.00 0.00 0.00 63 I 7.55 4.10 1.92 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.79 1.03 0.00 0.00 64 R 7.54 4.16 0.00 1.71 2.08 0.00 3.20 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.57 0.00 65 E 8.26 3.48 0.00 2.03 1.77 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 2.45 2.38 0.00 66 G 8.20 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 0.00 0.00 0.00 67 D 8.54 4.74 0.00 2.68 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 68 P 0.00 4.43 0.00 1.93 2.04 0.00 3.64 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 69 I 8.52 4.64 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.02 0.88 0.00 0.00 70 G 7.87 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.03 5.40 1.13 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 72 K 9.09 5.02 0.00 1.73 1.87 0.00 1.20 0.00 0.00 1.52 0.00 0.00 2.75 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 1.34 7.81 73 V 8.76 4.74 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 0.94 0.00 0.00 0.85 0.00 0.00 74 T 8.53 4.83 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 1.15 0.00 0.00 75 L 8.89 4.77 0.00 1.45 1.55 0.72 0.64 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 76 R 7.90 4.81 0.00 1.62 1.76 0.00 3.31 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 77 D 8.96 4.36 0.00 2.88 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 0.00 0.00 0.00 78 E 9.02 3.96 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 2.41 2.42 0.00 79 M 8.26 4.04 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.59 0.00 80 A 7.94 4.10 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 81 E 8.39 3.91 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 82 E 8.52 3.91 0.00 1.97 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 2.36 2.51 0.00 83 F 7.76 4.35 0.00 3.32 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 84 L 8.13 4.05 0.00 1.93 1.79 1.09 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.02 3.92 0.00 1.94 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.74 0.00 0.00 0.00 0.00 0.00 2.15 2.44 0.00 86 T 7.62 4.27 4.14 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 1.17 0.00 0.00 87 A 7.42 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.06 3.56 0.00 1.72 1.65 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.19 0.00 1.99 2.11 0.00 3.52 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.19 0.00 90 L 7.88 4.18 0.00 1.78 1.77 0.94 0.53 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 91 A 7.54 4.82 1.05 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 0.00 0.00 92 E 8.13 4.54 0.00 1.92 1.86 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 2.18 2.27 0.00 93 L 8.03 4.04 0.00 1.58 1.64 0.69 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.02 5.42 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 95 T 8.50 4.11 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 96 S 8.32 4.31 0.00 4.05 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 97 Q 8.41 4.30 0.00 2.30 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.88 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 98 F 8.20 4.93 0.00 3.17 3.05 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 99 D 10.12 4.72 0.00 2.83 2.88 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 0.00 0.00 0.00 100 D 8.62 4.86 0.00 2.71 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 0.00 101 T 7.50 4.40 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 1.25 0.00 0.00 102 G 8.48 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.25 5.18 0.00 2.79 2.67 0.00 0.00 6.54 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 0.00 104 F 7.71 5.05 0.00 2.49 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 0.00 0.00 0.00 105 S 8.75 5.11 0.00 3.72 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 0.00 106 F 8.98 4.89 0.00 3.11 3.22 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 0.00 107 G 9.18 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *128 L 8.49 3.99 0.00 1.76 1.64 0.96 1.20 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 0.00 129 D 8.68 5.02 0.00 2.64 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 0.00 130 V 8.66 4.21 0.67 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 0.71 0.00 0.00 0.87 0.00 0.00 131 T 8.24 4.54 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 132 V 7.84 4.45 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.70 0.00 0.00 133 N 8.96 4.88 0.00 2.73 2.58 0.00 0.00 6.65 7.41 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 0.00 134 L 8.18 5.26 0.00 1.72 1.52 1.31 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.87 4.22 1.51 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 0.33 0.00 0.00 0.60 0.00 0.00 136 R 8.79 3.68 0.00 1.62 1.76 0.00 3.19 0.00 0.00 3.05 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 137 P 0.00 3.40 0.00 2.19 1.90 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 138 G 8.21 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 0.00 139 Y 7.97 4.27 0.00 3.19 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 R 8.25 3.80 0.00 1.93 1.94 0.00 3.26 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 141 V 7.46 3.58 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 0.98 0.00 0.00 0.95 0.00 0.00 142 A 7.57 5.11 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 K 7.80 4.29 0.00 1.60 1.78 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.87 1.49 7.81 144 R 7.55 4.29 0.00 1.89 1.97 0.00 3.00 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 145 D 8.44 4.44 0.00 2.67 2.74 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 0.00 146 K 7.96 4.02 0.00 1.80 1.71 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.42 7.81 147 A 8.52 3.96 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 0.00 148 S 7.20 4.53 0.00 4.04 4.04 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 0.00 149 R 8.80 4.51 0.00 1.84 1.70 0.00 3.11 0.00 0.00 3.07 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 150 S 8.51 4.75 0.00 3.90 3.72 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 0.00 151 I 8.31 3.78 1.95 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 1.35 1.05 1.02 0.00 0.00 152 P 0.00 4.42 0.00 2.20 1.99 0.00 3.63 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 153 T 8.73 3.92 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 154 K 8.07 4.01 0.00 1.78 1.96 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.58 7.81 155 H 8.09 4.51 0.00 3.14 3.38 0.00 5.95 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.18 4.16 0.00 2.10 1.89 0.00 3.46 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.76 0.00 157 L 8.32 4.18 0.00 1.55 1.83 0.89 0.98 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 0.00 158 N 8.26 5.13 0.00 2.94 2.69 0.00 0.00 6.93 8.03 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 0.00 159 P 0.00 4.27 0.00 2.14 2.15 0.00 3.63 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 2.15 2.38 0.00 160 A 7.98 3.87 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 D 8.05 4.37 0.00 2.94 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 0.00 162 A 8.50 4.18 1.68 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 0.00 163 V 7.97 3.10 1.81 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 0.78 0.00 0.00 0.04 0.00 0.00 164 A 8.65 3.98 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 0.00 165 F 6.67 3.91 0.00 2.99 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 I 8.15 3.51 2.00 0.00 0.00 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 1.73 1.04 0.84 0.00 0.00 167 E 8.42 4.22 0.00 1.91 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 2.28 2.33 0.00 168 S 8.27 4.53 0.00 3.83 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 0.00 169 T 8.01 4.62 4.14 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 1.18 0.00 0.00 170 Y 8.20 3.35 0.00 3.00 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 0.00 171 D 7.11 4.40 0.00 2.92 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 V 7.72 4.33 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 0.88 0.00 0.00 0.89 0.00 0.00 173 E 8.31 4.55 0.00 2.01 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 0.00 2.20 2.23 0.00 174 V 7.65 3.67 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 0.93 0.00 0.00 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.