NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4371 8.3049 118.1936 54.3809 32.5765 174.7850 2 L 3.6235 8.2736 119.8334 55.1975 42.0135 175.9707 3 K 4.4412 9.4060 122.2786 56.3975 33.6495 175.7425 4 Q 4.7576 7.5827 117.1936 53.7465 32.5018 175.1006 5 V 4.1081 8.5964 122.3818 62.6883 33.0419 174.5225 6 E 4.9919 8.6502 127.2132 54.6104 32.1876 175.0197 7 I 5.1108 8.1519 124.0188 59.4832 41.2356 174.4776 8 F 5.7652 9.6623 124.2336 54.9451 42.6878 174.1749 9 T 5.3674 8.6196 111.2227 60.6800 71.6675 172.3624 10 D 4.8824 9.3334 121.3968 53.2056 45.1991 174.0985 11 G 4.4112 8.7813 110.4871 44.6050 0.0000 171.8844 12 S 4.8751 9.0384 116.7267 56.7023 66.4951 172.5273 13 C 4.9365 8.2877 122.3722 58.9793 33.5430 173.4422 14 L 4.0507 8.4115 127.9893 58.5464 40.4030 177.9227 15 G 3.9406 7.6698 106.7618 44.5811 0.0000 173.2506 16 N 5.0221 8.0160 116.4953 51.3413 38.1183 171.3979 17 P 4.6631 0.0000 0.0000 61.9555 34.2402 175.8215 18 G 4.0749 8.1273 105.7728 45.0884 0.0000 170.5492 19 P 5.0342 0.0000 0.0000 62.3203 32.5195 176.3046 20 G 4.4544 9.3501 110.3079 45.1498 0.0000 171.0837 21 G 4.7996 9.4337 106.5271 45.1653 0.0000 171.3417 22 Y 5.6599 8.6147 117.2546 55.3253 42.0287 174.1403 23 A 5.4212 9.3059 120.3846 50.9414 23.2504 175.1419 24 A 5.3179 9.6028 121.3025 50.5748 23.3980 175.1770 25 I 5.0622 9.1713 121.4979 59.4221 40.6126 174.4811 26 L 5.1799 9.2794 128.5255 53.4173 45.1339 175.0745 27 R 5.1550 9.1591 126.3155 55.0678 32.1249 174.8375 28 Y 4.8591 9.1141 125.2052 57.0759 42.8423 174.9208 29 R 3.3292 9.5801 124.7695 57.3126 27.7690 177.0912 30 G 3.9289 8.5485 102.8125 45.7382 0.0000 174.1265 31 R 4.5856 7.7639 117.8859 53.9087 33.3730 174.2662 32 E 5.0786 8.6050 121.1554 54.7284 31.0033 175.0733 33 K 4.4283 9.0886 127.7964 55.5146 34.2635 176.1906 34 T 5.0535 7.9899 119.5317 61.8140 71.7212 173.1779 35 F 5.1929 9.3800 125.4019 55.8364 42.1857 174.6183 36 S 5.0511 8.8196 115.2245 58.0583 65.7542 173.3156 37 A 4.3500 7.3633 121.3704 50.9396 22.4283 175.1773 38 G 4.4916 8.3834 107.0314 44.5903 0.0000 171.7274 39 Y 5.1320 9.1188 119.9165 55.9768 40.9905 176.8217 40 T 3.8348 8.8571 118.3912 65.0271 68.7955 173.7276 41 R 4.6330 7.8262 121.8687 56.1626 32.3115 173.4736 42 T 4.1745 8.6426 123.2992 61.5610 71.0280 172.1232 43 T 4.7967 7.9952 108.6707 58.9842 72.3161 174.0151 44 N 4.2254 8.7120 120.1322 57.0879 38.8652 176.6735 45 N 4.1115 7.8506 117.1551 56.4249 38.5467 177.5079 46 R 3.8371 7.7420 119.2552 59.3077 30.0705 179.0580 47 M 4.0619 8.0391 118.7056 58.2254 32.0403 178.5427 48 E 4.0461 8.3841 118.9429 59.3864 29.5662 179.4442 49 L 3.8539 7.6569 118.4868 57.9033 41.5710 179.1722 50 M 3.6801 7.9304 117.8680 58.3583 32.1841 177.9850 51 A 3.6469 7.7760 120.6192 55.1523 18.5566 179.5333 52 A 3.9722 7.5497 118.2662 55.1723 18.4167 179.8803 53 I 3.5429 7.7920 118.5232 64.5541 36.9799 178.8730 54 V 3.2830 7.4211 117.5044 65.6827 31.4542 177.6064 55 A 3.8516 7.5045 119.9867 55.1974 18.2646 179.7225 56 L 3.8400 7.9423 117.4499 57.6863 41.4318 179.3584 57 E 4.0734 8.0540 117.2068 58.4249 29.4682 178.4816 58 A 4.2176 7.4271 119.8385 52.9255 18.8156 177.6032 59 L 3.5805 7.0462 118.3903 54.5250 42.0374 177.1508 60 K 4.5238 8.7254 122.0771 56.1815 32.7697 175.4992 61 E 4.7298 7.7317 115.4862 54.0735 32.2024 172.8116 62 P 4.3997 0.0000 0.0000 63.4883 31.8697 175.7369 63 C 5.0100 8.9723 120.0489 58.0438 33.2774 172.4337 64 E 4.9791 8.5876 119.6212 55.0096 31.0955 175.3806 65 V 4.7106 8.8321 124.8217 60.8396 35.4679 173.8976 66 I 4.5744 8.5951 127.5134 59.1136 40.2991 173.6382 67 L 4.7532 8.2816 132.4710 53.1661 44.4056 174.7124 68 S 5.1612 8.3952 121.6015 56.8460 65.1138 172.5306 69 T 4.9630 8.8752 119.9075 61.5321 71.0388 173.2114 70 D 5.6560 8.8012 124.1140 52.8013 40.2361 177.1477 71 S 4.4510 8.1184 117.0327 59.3208 62.9625 174.6933 72 Q 4.0131 8.6549 127.6194 58.6316 28.6463 177.9991 73 Y 4.1279 8.4433 120.8854 60.5554 38.8927 177.2976 74 L 4.0385 8.3505 120.8661 58.1884 42.1097 178.7542 75 R 2.5100 7.6987 118.3763 58.7869 29.7809 177.9641 76 Q 3.8654 8.0054 119.7351 59.1897 28.8704 178.8700 77 G 3.0208 7.9748 106.2580 47.7477 0.0000 175.7236 78 I 3.6080 7.5402 121.7811 63.9466 37.1634 178.2173 79 T 4.0673 7.7201 109.2379 63.2317 69.0862 175.9557 80 Q 4.1906 7.9345 118.3135 55.1545 30.8941 176.2659 81 W 3.6880 7.0547 117.0776 56.5995 32.0678 177.2491 82 I 3.5075 7.4062 118.2606 63.9170 37.2628 177.2809 83 H 3.8672 7.8871 118.6864 59.4832 29.7029 176.8481 84 N 4.2073 7.6527 117.5133 55.8598 38.3699 177.2243 85 W 4.2965 8.0187 120.8107 59.8214 29.0997 178.7439 86 K 3.3247 7.6276 118.2435 58.9643 31.1942 179.2780 87 K 3.8522 7.6333 119.0124 59.1378 32.0244 178.0285 88 R 4.4477 7.8664 116.3778 55.1578 29.9522 176.8053 89 G 4.4002 8.0714 106.4504 46.6143 0.0000 173.9735 90 W 3.5417 8.2255 116.2573 57.5725 27.0307 174.3409 91 K 5.1295 7.3862 115.7259 54.4474 34.7325 176.6025 92 T 4.2804 8.7932 112.2488 60.9911 69.5367 175.5401 93 A 4.0123 8.6024 124.6718 54.8699 18.4309 178.0704 94 D 4.6169 8.1682 113.5292 53.3357 39.6734 177.2391 95 G 3.9051 8.4233 107.6438 45.7465 0.0000 173.7805 96 K 4.5374 7.8386 119.0700 53.6238 34.0678 174.0457 97 P 4.8079 0.0000 0.0000 62.8386 31.8208 177.1541 98 V 3.7159 8.3875 117.0417 60.8366 32.8544 175.5993 99 K 3.9590 8.3996 124.5445 57.3817 32.8521 176.1344 100 N 4.4060 9.0112 123.3112 54.2483 36.3046 176.7167 101 V 3.5281 7.5594 121.0257 64.9910 30.7343 176.9437 102 D 4.2049 7.9751 119.0610 56.5342 39.0285 178.6637 103 L 3.9248 7.6864 120.1248 56.5832 41.6767 179.2464 104 W 4.3273 8.2090 119.2278 59.9275 29.0028 178.5748 105 Q 3.4877 7.9092 118.1905 58.6941 28.0327 178.7545 106 R 3.8259 7.7592 119.6481 59.2187 30.0620 178.3786 107 L 3.9445 8.3162 120.5995 58.1284 41.9182 178.2206 108 D 4.5668 8.4803 117.0343 57.6177 41.1077 177.8625 109 A 4.1651 8.2711 120.8793 55.2345 18.1543 179.4957 110 A 4.0173 7.8142 118.2243 54.8660 18.7742 179.3125 111 L 4.3818 8.2970 117.2456 56.7660 41.6344 179.3012 112 G 3.7820 7.5873 105.2814 47.9958 0.0000 174.7880 113 Q 4.1128 7.8722 117.8723 57.4629 29.2614 175.4236 114 H 5.1398 7.7832 114.3310 53.9280 31.8344 174.5428 115 Q 4.3553 8.7609 121.0085 55.1957 29.4637 174.6012 116 I 4.5046 8.1191 125.2346 59.1269 39.3406 175.2018 117 K 4.2988 8.7458 129.0885 54.6879 33.5646 175.0078 118 W 4.5185 8.6016 127.8363 55.4901 30.5665 175.4685 119 E 4.2276 8.9141 126.0068 54.4151 31.1790 174.8416 120 W 5.5847 8.5466 128.5321 55.7821 28.6523 176.5662 121 V 4.1280 8.5899 117.7796 60.4917 32.9484 176.1048 122 K 4.6143 8.6199 122.3740 55.6704 32.9439 178.6240 123 G 3.7355 8.8058 110.5884 48.4177 0.0000 174.0431 124 H 4.7774 8.2249 112.2067 55.3744 29.1916 174.5404 125 A 4.6520 7.5823 123.4218 51.9191 19.3942 176.7984 126 G 3.8412 8.0487 107.9428 46.6227 0.0000 174.6032 127 H 4.5708 8.9139 117.7701 54.3827 30.7370 175.0085 128 P 4.5060 0.0000 0.0000 65.3769 31.0088 178.8727 129 E 3.7031 7.8060 116.6854 59.2482 29.2265 178.9026 130 N 4.4576 8.0232 116.0762 56.4406 38.1667 177.1488 131 E 4.0323 8.2002 120.0057 59.3152 29.4908 179.4117 132 R 3.9130 8.2319 118.9669 59.5745 30.1093 178.3399 133 C 4.1847 8.2723 116.6228 63.0454 28.1446 175.5211 134 H 4.5070 8.3386 121.0899 58.8710 29.4884 177.1277 135 E 3.9208 8.2939 120.2568 59.4007 29.2657 179.3973 136 L 3.9693 8.1658 118.8386 57.7101 41.7082 179.4715 137 A 3.9872 8.4267 121.1398 55.1993 18.1110 179.9076 138 R 3.8399 7.8576 115.3354 59.3318 30.5382 178.8486 139 A 4.0883 8.0900 120.3601 55.0388 18.4151 179.5151 140 A 3.8850 8.1953 119.1627 55.2779 18.2183 179.7540 141 A 4.0954 7.9279 118.2198 55.3186 18.4972 179.2049 142 M 4.2498 7.6556 115.2404 56.4669 33.5195 176.2599 143 N 5.0633 7.5873 115.3320 51.0400 39.1211 172.7780 144 P 4.4307 0.0000 0.0000 62.9318 32.6056 177.1081 145 T 4.5013 8.3783 109.0030 60.6867 70.3994 173.6148 146 L 4.6230 7.3242 121.6045 52.7136 44.6103 174.3639 147 E 4.8599 8.4349 121.0942 54.8294 31.0114 176.0709 148 D 4.7880 8.6068 126.4959 52.6932 40.0041 176.1330 149 T 3.8906 8.4993 114.8565 64.1101 68.8530 176.0800 150 G 3.9182 7.9492 106.9076 44.6387 0.0000 172.8239 151 Y 4.2700 7.8085 122.6359 57.3728 39.3804 174.5409 152 Q 4.1143 7.4583 124.6199 53.7661 32.5739 175.7057 153 V 3.8948 8.1380 118.2837 61.8184 32.0768 176.2135 154 E 4.3624 7.6715 118.6885 55.8877 30.8595 176.5756 155 V 3.9814 7.9047 118.3040 63.3155 31.8586 174.8170 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 8.30 4.44 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 2 L 8.27 3.62 0.00 1.76 1.86 0.96 0.60 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 3 K 9.41 4.44 0.00 1.73 1.83 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.38 7.81 4 Q 7.58 4.76 0.00 1.85 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.91 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 5 V 8.60 4.11 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 0.88 0.00 0.00 0.99 0.00 0.00 6 E 8.65 4.99 0.00 1.95 1.61 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 2.14 2.24 0.00 7 I 8.15 5.11 1.64 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.70 0.87 0.00 0.00 8 F 9.66 5.77 0.00 2.94 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 9 T 8.62 5.37 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 1.31 0.00 0.00 10 D 9.33 4.88 0.00 2.92 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 11 G 8.78 4.41 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 0.00 12 S 9.04 4.88 0.00 3.90 3.67 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 13 C 8.29 4.94 0.00 2.93 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.41 4.05 0.00 1.88 1.78 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.67 3.94 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 0.00 0.00 0.00 16 N 8.02 5.02 0.00 2.65 2.66 0.00 0.00 6.92 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 17 P 0.00 4.66 0.00 1.75 1.45 0.00 3.87 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 1.90 2.03 0.00 18 G 8.13 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 0.00 0.00 0.00 19 P 0.00 5.03 0.00 2.21 1.98 0.00 3.81 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 2.10 1.92 0.00 20 G 9.35 4.45 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 0.00 21 G 9.43 4.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.61 5.66 0.00 3.19 3.08 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 0.00 0.00 0.00 23 A 9.31 5.42 1.35 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 24 A 9.60 5.32 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 25 I 9.17 5.06 2.11 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.93 1.02 0.00 0.00 26 L 9.28 5.18 0.00 1.90 1.72 0.86 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 27 R 9.16 5.16 0.00 1.86 1.92 0.00 3.55 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 28 Y 9.11 4.86 0.00 2.89 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.58 3.33 0.00 1.64 1.74 0.00 2.68 0.00 0.00 2.91 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 30 G 8.55 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 31 R 7.76 4.59 0.00 2.00 1.78 0.00 3.06 0.00 0.00 3.06 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 32 E 8.60 5.08 0.00 1.97 1.85 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 2.20 2.35 0.00 33 K 9.09 4.43 0.00 1.73 1.17 0.00 1.87 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.43 7.81 34 T 7.99 5.05 4.17 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 1.28 0.00 0.00 35 F 9.38 5.19 0.00 3.07 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 36 S 8.82 5.05 0.00 3.82 3.76 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 37 A 7.36 4.35 0.99 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 38 G 8.38 4.49 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 0.00 0.00 0.00 39 Y 9.12 5.13 0.00 2.86 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 40 T 8.86 3.83 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 41 R 7.83 4.63 0.00 1.80 1.77 0.00 3.33 0.00 0.00 3.20 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.54 0.00 42 T 8.64 4.17 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 1.14 0.00 0.00 43 T 8.00 4.80 4.11 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 0.00 0.00 1.03 0.00 0.00 44 N 8.71 4.23 0.00 2.83 2.80 0.00 0.00 6.90 6.71 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 45 N 7.85 4.11 0.00 2.25 1.42 0.00 0.00 7.12 7.66 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 46 R 7.74 3.84 0.00 1.72 1.80 0.00 3.40 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 47 M 8.04 4.06 0.00 2.30 2.23 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.77 0.00 48 E 8.38 4.05 0.00 2.28 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 2.42 2.62 0.00 49 L 7.66 3.85 0.00 1.57 1.35 0.02 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 50 M 7.93 3.68 0.00 1.78 1.87 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.43 0.00 51 A 7.78 3.65 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 52 A 7.55 3.97 1.50 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 0.00 0.00 53 I 7.79 3.54 1.82 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.58 0.81 0.00 0.00 54 V 7.42 3.28 1.67 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 0.20 0.00 0.00 0.61 0.00 0.00 55 A 7.50 3.85 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 56 L 7.94 3.84 0.00 1.71 1.68 0.96 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.05 4.07 0.00 1.87 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 2.30 2.39 0.00 58 A 7.43 4.22 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 59 L 7.05 3.58 0.00 1.57 1.33 0.44 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.73 4.52 0.00 1.90 1.91 0.00 1.80 0.00 0.00 1.81 0.00 0.00 3.29 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.68 1.60 7.81 61 E 7.73 4.73 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 62 P 0.00 4.40 0.00 1.97 2.23 0.00 3.64 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 2.03 2.11 0.00 63 C 8.97 5.01 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 64 E 8.59 4.98 0.00 1.89 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 2.29 2.27 0.00 65 V 8.83 4.71 1.80 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 0.55 0.00 0.00 0.71 0.00 0.00 66 I 8.60 4.57 1.71 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.26 0.79 0.00 0.00 67 L 8.28 4.75 0.00 1.18 0.82 0.77 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.40 5.16 0.00 3.83 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.88 4.96 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 1.60 0.00 0.00 70 D 8.80 5.66 0.00 2.98 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 71 S 8.12 4.45 0.00 4.17 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 0.00 72 Q 8.65 4.01 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.93 0.00 0.00 0.00 0.00 0.00 2.62 2.39 0.00 73 Y 8.44 4.13 0.00 3.10 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 74 L 8.35 4.04 0.00 1.89 1.97 1.03 1.18 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 75 R 7.70 2.51 0.00 0.74 1.57 0.00 2.59 0.00 0.00 2.73 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.50 0.00 76 Q 8.01 3.87 0.00 2.16 2.16 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 2.39 2.42 0.00 77 G 7.97 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 0.00 0.00 0.00 78 I 7.54 3.61 1.50 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.10 0.38 0.00 0.00 79 T 7.72 4.07 4.08 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 0.00 0.00 1.00 0.00 0.00 80 Q 7.93 4.19 0.00 1.99 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.78 0.00 0.00 0.00 0.00 0.00 2.08 2.39 0.00 81 W 7.05 3.69 0.00 1.89 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 82 I 7.41 3.51 1.82 0.00 0.00 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 1.54 1.61 0.95 0.00 0.00 83 H 7.89 3.87 0.00 3.15 3.09 0.00 5.92 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 84 N 7.65 4.21 0.00 2.48 2.63 0.00 0.00 7.05 7.68 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 85 W 8.02 4.30 0.00 2.90 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 0.00 0.00 0.00 86 K 7.63 3.32 0.00 1.56 1.71 0.00 1.93 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.34 1.03 7.81 87 K 7.63 3.85 0.00 1.68 1.92 0.00 1.62 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.47 7.81 88 R 7.87 4.45 0.00 1.93 1.94 0.00 3.39 0.00 0.00 3.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 89 G 8.07 4.40 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 0.00 90 W 8.23 3.54 0.00 3.54 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 91 K 7.39 5.13 0.00 1.91 1.71 0.00 1.74 0.00 0.00 1.95 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.58 7.81 92 T 8.79 4.28 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 1.24 0.00 0.00 93 A 8.60 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.17 4.62 0.00 2.81 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 95 G 8.42 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 0.00 0.00 0.00 96 K 7.84 4.54 0.00 1.83 1.71 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.39 7.81 97 P 0.00 4.81 0.00 1.90 1.97 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 98 V 8.39 3.72 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 0.58 0.00 0.00 0.55 0.00 0.00 99 K 8.40 3.96 0.00 1.75 1.76 0.00 1.93 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.48 7.81 100 N 9.01 4.41 0.00 3.21 2.86 0.00 0.00 6.88 7.68 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 0.00 101 V 7.56 3.53 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 0.78 0.00 0.00 0.73 0.00 0.00 102 D 7.98 4.20 0.00 2.81 2.90 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 0.00 0.00 0.00 0.00 103 L 7.69 3.92 0.00 1.47 1.49 0.74 0.83 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 0.00 104 W 8.21 4.33 0.00 3.23 3.37 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 0.00 105 Q 7.91 3.49 0.00 1.76 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 106 R 7.76 3.83 0.00 1.92 1.98 0.00 3.03 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 107 L 8.32 3.94 0.00 1.78 1.97 1.05 1.07 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 0.00 108 D 8.48 4.57 0.00 3.23 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 0.00 109 A 8.27 4.17 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 0.00 110 A 7.81 4.02 1.36 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 0.00 111 L 8.30 4.38 0.00 2.03 1.90 1.34 0.95 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 0.00 112 G 7.59 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 7.87 4.11 0.00 1.56 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 114 H 7.78 5.14 0.00 2.97 3.20 0.00 5.64 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 0.00 115 Q 8.76 4.36 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 116 I 8.12 4.50 1.44 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.40 -0.70 0.00 0.00 117 K 8.75 4.30 0.00 1.66 1.51 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.25 1.35 7.81 118 W 8.60 4.52 0.00 2.72 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 0.00 119 E 8.91 4.23 0.00 1.85 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 2.21 2.25 0.00 120 W 8.55 5.58 0.00 3.27 3.13 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 0.00 121 V 8.59 4.13 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 0.80 0.00 0.00 1.04 0.00 0.00 122 K 8.62 4.61 0.00 1.75 1.80 0.00 1.77 0.00 0.00 1.91 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.58 1.46 7.81 123 G 8.81 3.74 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 0.00 124 H 8.22 4.78 0.00 3.29 3.42 0.00 5.47 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 0.00 125 A 7.58 4.65 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 0.00 126 G 8.05 3.84 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 0.00 0.00 0.00 127 H 8.91 4.57 0.00 3.31 3.34 0.00 5.64 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.51 0.00 2.08 2.08 0.00 3.88 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 129 E 7.81 3.70 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 1.48 2.03 0.00 130 N 8.02 4.46 0.00 2.99 2.96 0.00 0.00 7.15 7.66 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 0.00 131 E 8.20 4.03 0.00 2.18 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 2.42 0.00 132 R 8.23 3.91 0.00 1.92 2.06 0.00 3.06 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 1.61 1.65 0.00 133 C 8.27 4.18 0.00 3.28 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 0.00 134 H 8.34 4.51 0.00 3.31 3.51 0.00 5.83 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 0.00 135 E 8.29 3.92 0.00 2.23 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 2.33 2.44 0.00 136 L 8.17 3.97 0.00 1.85 1.71 0.94 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.43 3.99 1.49 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 0.00 0.00 138 R 7.86 3.84 0.00 1.93 1.96 0.00 3.12 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 139 A 8.09 4.09 1.36 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 0.00 140 A 8.20 3.89 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 0.00 141 A 7.93 4.10 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 0.00 142 M 7.66 4.25 0.00 2.02 2.23 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 143 N 7.59 5.06 0.00 2.65 2.68 0.00 0.00 6.99 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 0.00 144 P 0.00 4.43 0.00 2.18 2.15 0.00 3.68 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 145 T 8.38 4.50 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 146 L 7.32 4.62 0.00 0.63 1.19 0.55 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.43 4.86 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 148 D 8.61 4.79 0.00 2.63 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 0.00 149 T 8.50 3.89 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 1.30 0.00 0.00 150 G 7.95 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 0.00 151 Y 7.81 4.27 0.00 3.07 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 0.00 152 Q 7.46 4.11 0.00 1.79 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.83 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 153 V 8.14 3.89 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 0.83 0.00 0.00 0.94 0.00 0.00 154 E 7.67 4.36 0.00 2.08 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 2.22 2.24 0.00 155 V 7.90 3.98 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 0.85 0.00 0.00 0.93 0.00 0.00