NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4760 8.3044 118.1967 55.1546 32.5723 174.3043 1 V 4.2937 7.9476 118.7693 60.7927 34.5687 173.4081 2 L 4.4820 8.3705 126.9924 53.6859 44.0233 176.6282 3 S 4.6152 8.3467 117.0242 57.4616 65.6372 175.0759 4 E 4.3003 8.8059 122.3695 59.5422 29.4474 179.0701 5 G 3.6151 8.0756 105.3648 47.7372 0.0000 175.4567 6 E 3.9629 7.8101 120.4891 58.8863 29.4335 179.4235 7 W 4.1985 8.1242 119.1690 59.7814 29.1142 178.5805 8 Q 4.2065 8.5216 118.2247 58.9466 27.9896 178.9435 9 L 4.0649 7.9248 119.6670 57.7162 41.6959 179.6945 10 V 3.7323 7.8007 118.0971 66.2171 31.5556 178.1821 11 L 4.2950 8.7093 118.8682 57.6283 41.1716 179.0689 12 H 4.3116 8.2191 118.3261 59.2654 30.1755 177.3970 13 V 3.7112 7.7660 121.2389 64.4835 31.3710 178.0818 14 W 3.8874 8.5333 128.8164 60.0908 30.2518 177.7309 15 A 4.0400 7.9235 120.1066 54.9799 18.0482 179.4732 16 K 3.9384 7.8210 117.1982 59.4088 32.1065 179.6218 17 V 2.8691 7.0923 117.9921 65.7188 31.0205 177.3425 18 E 3.9482 7.4777 115.9784 57.7987 29.4194 178.1242 19 A 4.2085 7.5712 120.0728 53.1617 19.9987 177.3974 20 D 4.6143 7.9250 116.0489 51.6796 42.9626 175.4611 21 V 3.5007 7.9160 124.7287 66.3911 31.9496 176.7564 22 A 4.1031 8.0279 119.7258 55.0948 18.2846 179.6763 23 G 3.6311 8.0571 105.1055 47.7317 0.0000 175.7762 24 H 4.2343 8.3450 118.8985 58.3807 28.7042 178.0883 25 G 3.7383 8.4408 107.9910 47.8493 0.0000 175.3012 26 Q 3.8706 8.0825 122.0523 59.0994 29.0830 177.9182 27 D 4.3474 8.0541 119.6742 57.5552 40.8168 179.2325 28 I 3.6582 7.8638 119.8718 64.3617 37.1248 178.2921 29 L 3.3184 7.6601 119.6493 57.7130 41.3409 179.7599 30 I 3.6735 7.5648 119.3555 64.3448 36.9837 178.0747 31 R 3.7750 7.8970 119.5003 59.5342 29.8998 177.7988 32 L 3.8575 7.8218 119.8233 58.5788 41.5823 179.2504 33 F 4.6234 7.9328 117.3252 60.1902 38.5063 178.0247 34 K 4.0514 8.0366 118.2308 59.3522 32.2396 179.0690 35 S 4.2810 8.0559 111.3897 59.4800 64.7118 174.5018 36 H 4.8408 8.0745 119.3226 52.8852 30.7433 172.1504 37 P 4.4457 0.0000 0.0000 64.9157 31.4960 177.9605 38 E 4.0774 8.2911 116.2102 59.7395 29.3894 179.0979 39 T 3.7687 8.1777 110.8386 64.5462 68.7168 176.0027 40 L 3.8648 7.9911 122.5600 57.6616 41.7319 178.7074 41 E 4.1448 8.2910 118.0082 59.0227 29.4363 178.8796 42 K 4.3749 8.3195 117.7656 57.3360 32.4324 176.7636 43 F 4.5053 7.9509 118.5334 55.6338 38.7752 176.2922 44 D 4.4302 8.5036 126.7428 56.8418 40.8627 178.1899 45 R 4.1121 7.6807 116.0030 57.0361 30.7554 176.7782 46 F 5.2011 7.5415 115.3104 57.7320 41.1339 177.6153 47 K 4.0382 8.1774 120.0821 59.9099 31.8563 177.2808 48 H 4.3445 8.3291 111.3334 56.6028 28.7460 175.2125 49 L 4.0974 8.0269 121.7518 54.2479 40.9310 176.9068 50 K 4.0529 9.6212 124.8525 58.8387 32.6048 178.4314 51 T 4.5216 7.5273 107.9131 59.8618 72.4399 174.6215 52 E 3.9830 8.4741 120.1942 58.9082 29.5047 178.2372 53 A 4.0814 7.8918 120.6003 54.7415 18.2447 179.3570 54 E 3.8678 7.6381 116.3783 59.7077 29.8497 179.0011 55 M 4.0643 7.8333 118.5407 58.5026 31.8791 178.9052 56 K 3.8124 8.1503 117.1021 59.3217 32.3667 178.2193 57 A 4.0895 7.5721 119.8653 53.6610 18.6914 177.6756 58 S 4.1583 7.7877 111.0375 58.3081 62.9131 174.2973 59 E 3.9970 8.7918 130.9214 59.2407 29.3585 178.2091 60 D 4.4976 8.0988 118.8968 57.1095 41.0258 178.1711 61 L 3.5038 7.8357 120.7817 57.4594 42.0461 178.9267 62 K 3.9361 7.7323 119.3230 59.5162 32.1999 178.9884 63 K 4.0889 7.9628 118.4005 59.9325 31.9854 179.1317 64 H 4.5456 8.4612 116.8063 58.7419 28.6888 178.1125 65 G 3.8305 8.3633 107.8100 47.5712 0.0000 176.1063 66 V 3.6763 7.8161 120.4166 66.1744 31.4741 178.2426 67 T 3.9433 8.1864 115.5871 66.6212 68.2906 176.4356 68 F 4.3359 8.5198 122.4645 61.4704 39.4339 177.3204 69 L 3.5260 7.7249 118.4245 57.7996 41.3364 179.6754 70 T 3.9407 8.0351 115.7369 66.4174 68.3989 176.7461 71 A 3.9882 7.8148 122.8164 54.9660 18.3542 179.4959 72 L 3.6600 7.7837 119.1081 57.9494 42.1167 179.3341 73 G 3.1337 8.2491 105.8077 47.6214 0.0000 175.4386 74 A 3.9728 7.6841 122.1357 54.8012 18.6407 179.6531 75 I 3.7431 7.4005 118.1082 64.5395 37.2715 178.5023 76 L 3.9573 7.7780 120.1473 57.8309 41.2195 179.6102 77 K 4.0163 7.6329 116.2168 58.1558 32.2945 178.6736 78 K 3.9529 7.9277 118.4967 56.0404 32.7095 176.5043 79 K 2.0000 8.1723 118.5383 56.4150 29.9227 174.0951 80 G 4.0185 7.7718 105.6230 46.2329 0.0000 174.1268 81 H 4.5052 7.3877 118.3003 54.8505 27.2809 174.7715 82 H 5.0682 7.4362 112.8171 54.8108 29.8557 176.2331 83 E 3.9895 8.5727 120.6705 60.1990 28.6868 178.9759 84 A 4.0040 7.9093 119.8077 54.9727 17.5856 179.1266 85 E 4.0740 8.1762 116.4729 59.2801 29.4517 179.1512 86 L 4.2989 8.0336 120.6349 57.9232 42.1218 178.4964 87 K 3.9696 7.9584 119.1480 59.0326 32.0648 177.1497 88 P 4.3001 0.0000 0.0000 66.0438 31.0965 178.2122 89 L 4.0636 7.5650 117.2646 58.0267 42.0949 178.8203 90 A 4.2660 8.4351 121.1114 55.1396 18.3077 179.4416 91 Q 3.8829 8.2795 118.5270 59.2514 29.0597 178.5827 92 S 4.0100 7.9936 114.9374 61.7400 63.2029 176.1911 93 H 4.1533 8.4249 119.4202 57.8675 28.1870 177.6015 94 A 2.6121 7.6489 122.7391 54.6193 18.2431 179.8321 95 T 3.5773 7.2999 112.4861 66.5776 68.8004 176.5218 96 K 3.9477 7.5970 120.3173 59.3583 32.4982 177.5235 97 H 4.3132 7.9652 114.7668 56.0675 29.3172 175.5847 98 K 3.3662 7.3557 116.2778 55.6698 28.6144 173.0871 99 I 4.3673 8.2987 119.1030 58.3841 38.9423 174.6676 100 P 4.7641 0.0000 0.0000 61.8133 32.1893 177.2388 101 I 3.5609 8.4081 120.9827 64.6478 36.9057 178.2329 102 K 3.5981 7.9953 119.7261 60.0109 31.9497 178.1946 103 Y 4.1161 8.0075 116.5503 60.8239 37.7969 178.3203 104 L 4.2347 8.0696 120.1958 57.4340 41.6725 179.3568 105 E 4.0088 7.8977 118.3492 59.4819 29.6977 178.9289 106 F 4.4520 8.0722 117.8582 60.8990 38.8803 177.6299 107 I 3.8778 8.0034 117.7222 63.8869 37.7733 178.0542 108 S 4.2511 8.1289 116.2837 61.4717 62.6331 176.2368 109 E 4.0076 8.3834 121.8554 59.2360 29.4278 178.7327 110 A 4.0251 7.9350 120.5373 55.1117 18.4544 179.5515 111 I 3.7249 8.1274 118.5187 64.8405 37.3074 178.6550 112 I 3.8851 7.9177 120.4701 64.6337 36.9802 178.0296 113 H 4.0932 8.4386 119.0135 59.2440 29.7500 177.5177 114 V 3.5344 7.9288 119.9711 66.1094 31.3897 177.9353 115 L 3.7751 7.7396 118.6489 57.9050 41.0324 179.0468 116 H 4.2882 7.5955 117.3354 59.2390 29.8575 177.3878 117 S 4.1553 7.5613 115.8663 61.7432 62.8813 176.5705 118 R 4.0234 7.7235 118.5830 57.6688 31.2747 176.4573 119 H 5.0146 8.0551 115.3704 53.6504 29.8100 172.5553 120 P 4.2867 0.0000 0.0000 65.7933 31.8029 179.8924 121 G 3.7197 8.1822 104.8905 47.7959 0.0000 173.6979 122 N 5.0029 8.1304 115.1154 52.9315 39.6125 174.9627 123 F 4.8823 8.0069 118.8149 56.1697 39.4747 174.0231 124 G 3.9396 7.5476 109.6764 43.6285 0.0000 171.3511 125 A 3.8951 8.4833 120.6621 55.5670 18.1137 179.7774 126 D 4.1711 7.9410 116.3610 57.3730 41.0019 178.6617 127 A 3.8858 7.7483 120.8090 55.1988 18.4206 179.3274 128 Q 3.3055 7.8103 118.4289 58.7400 28.9346 178.6510 129 G 3.4820 8.0252 106.7878 47.5566 0.0000 175.4435 130 A 3.8164 8.0210 123.6707 55.0894 18.4366 179.2955 131 M 3.9578 8.0593 116.6432 58.8571 32.1926 177.9763 132 N 4.3362 8.3264 117.1586 56.5901 39.1897 176.7841 133 K 3.8405 8.2044 120.9464 59.2719 32.1999 178.7056 134 A 3.8313 8.0376 121.1687 55.2429 18.2896 179.7290 135 L 4.1712 8.1109 117.5102 57.7672 41.6409 179.6482 136 E 3.9632 8.5613 119.0851 59.2096 29.4245 178.8071 137 L 3.9381 7.9328 120.3663 58.2613 42.0650 178.5963 138 F 4.2145 8.3916 120.2532 61.6366 39.3071 177.2797 139 R 3.4179 8.1826 117.5631 58.9637 29.8746 178.9838 140 K 3.8740 8.4235 119.7412 59.5962 32.1708 178.6509 141 D 4.3297 8.1780 119.1537 57.3016 40.7618 178.7335 142 I 3.4807 7.7251 120.5026 64.0717 36.9742 178.1943 143 A 3.5822 8.0480 121.6123 55.1881 17.7376 179.2945 144 A 3.9503 7.9391 118.9988 55.5645 18.3135 180.0958 145 K 4.0503 8.1571 116.7386 59.6686 32.1578 179.0688 146 Y 4.3377 8.5044 117.5475 61.2317 37.9334 178.8300 147 K 3.9746 8.1703 119.2172 59.8646 32.0069 179.2612 148 E 4.1072 7.8087 116.0742 58.6804 29.4502 178.3585 149 L 4.4545 7.5828 116.4691 54.2793 41.9802 177.2052 150 G 3.8683 7.8778 107.0058 46.2970 0.0000 173.3189 151 Y 4.4248 7.9208 117.7844 58.0413 40.9171 176.2838 152 Q 3.4147 8.1972 118.5656 56.9476 27.5656 173.7855 153 G 2.8395 7.0901 110.6499 45.5825 0.0000 173.0661 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 0 M 8.30 4.48 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 1 V 7.95 4.29 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 0.90 0.00 0.00 0.96 0.00 0.00 2 L 8.37 4.48 0.00 1.25 0.72 0.64 -0.47 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 3 S 8.35 4.62 0.00 4.08 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 4 E 8.81 4.30 0.00 2.19 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 2.43 2.52 0.00 5 G 8.08 3.62 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 0.00 0.00 0.00 6 E 7.81 3.96 0.00 1.90 1.70 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 2.21 2.25 0.00 7 W 8.12 4.20 0.00 3.60 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 8 Q 8.52 4.21 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.72 2.60 0.00 9 L 7.92 4.06 0.00 1.89 1.74 0.89 0.59 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 10 V 7.80 3.73 2.35 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 1.18 0.00 0.00 0.91 0.00 0.00 11 L 8.71 4.29 0.00 1.82 1.82 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.22 4.31 0.00 3.33 3.58 0.00 5.95 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.77 3.71 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 1.01 0.00 0.00 0.90 0.00 0.00 14 W 8.53 3.89 0.00 3.69 3.33 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 15 A 7.92 4.04 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 16 K 7.82 3.94 0.00 1.52 1.62 0.00 1.63 0.00 0.00 1.48 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.42 7.81 17 V 7.09 2.87 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 0.00 0.00 -0.08 0.00 0.00 0.42 0.00 0.00 18 E 7.48 3.95 0.00 2.00 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 2.23 2.03 0.00 19 A 7.57 4.21 1.27 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 20 D 7.93 4.61 0.00 2.73 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 21 V 7.92 3.50 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 1.06 0.00 0.00 0.85 0.00 0.00 22 A 8.03 4.10 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 23 G 8.06 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 24 H 8.35 4.23 0.00 3.28 3.26 0.00 5.82 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 25 G 8.44 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 26 Q 8.08 3.87 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 27 D 8.05 4.35 0.00 2.89 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 28 I 7.86 3.66 2.03 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.82 1.02 0.00 0.00 29 L 7.66 3.32 0.00 1.60 1.17 0.86 0.38 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 30 I 7.56 3.67 2.01 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 1.40 0.76 0.88 0.00 0.00 31 R 7.90 3.77 0.00 1.88 2.14 0.00 3.06 0.00 0.00 3.00 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 32 L 7.82 3.86 0.00 1.58 1.33 0.97 1.07 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 33 F 7.93 4.62 0.00 3.19 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 34 K 8.04 4.05 0.00 1.82 1.82 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.63 7.81 35 S 8.06 4.28 0.00 3.67 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 36 H 8.07 4.84 0.00 3.18 3.16 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.45 0.00 2.16 2.14 0.00 3.85 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 2.10 2.16 0.00 38 E 8.29 4.08 0.00 2.33 2.32 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 2.38 2.58 0.00 39 T 8.18 3.77 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 0.60 0.00 0.00 40 L 7.99 3.86 0.00 1.45 1.79 -0.10 1.16 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 41 E 8.29 4.14 0.00 2.22 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 2.39 2.50 0.00 42 K 8.32 4.37 0.00 2.07 1.64 0.00 1.67 0.00 0.00 2.01 0.00 0.00 3.13 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.57 1.49 7.81 43 F 7.95 4.51 0.00 3.40 2.91 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 44 D 8.50 4.43 0.00 2.61 2.70 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 45 R 7.68 4.11 0.00 1.27 1.54 0.00 3.12 0.00 0.00 3.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 46 F 7.54 5.20 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 47 K 8.18 4.04 0.00 1.80 1.95 0.00 1.73 0.00 0.00 1.93 0.00 0.00 3.21 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.66 1.74 7.81 48 H 8.33 4.34 0.00 3.28 3.42 0.00 5.52 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 49 L 8.03 4.10 0.00 1.51 1.55 0.71 0.65 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 K 9.62 4.05 0.00 1.81 1.83 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.52 7.81 51 T 7.53 4.52 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 52 E 8.47 3.98 0.00 2.04 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 2.35 0.00 53 A 7.89 4.08 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 54 E 7.64 3.87 0.00 2.12 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 2.30 2.31 0.00 55 M 7.83 4.06 0.00 2.03 2.22 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 2.64 2.47 0.00 56 K 8.15 3.81 0.00 1.67 1.86 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.44 1.53 7.81 57 A 7.57 4.09 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 58 S 7.79 4.16 0.00 3.96 3.88 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 59 E 8.79 4.00 0.00 2.14 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 2.40 2.49 0.00 60 D 8.10 4.50 0.00 2.98 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 61 L 7.84 3.50 0.00 1.07 1.39 0.46 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.73 3.94 0.00 1.86 1.94 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.50 7.81 63 K 7.96 4.09 0.00 1.99 1.96 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.18 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.77 7.81 64 H 8.46 4.55 0.00 3.57 3.64 0.00 5.81 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 65 G 8.36 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 66 V 7.82 3.68 2.30 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 1.06 0.00 0.00 1.01 0.00 0.00 67 T 8.19 3.94 4.50 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 1.31 0.00 0.00 68 F 8.52 4.34 0.00 3.28 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 69 L 7.72 3.53 0.00 1.83 1.67 0.87 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.04 3.94 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 1.24 0.00 0.00 71 A 7.81 3.99 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 72 L 7.78 3.66 0.00 1.40 1.30 0.23 0.95 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 73 G 8.25 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 0.00 0.00 0.00 74 A 7.68 3.97 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 75 I 7.40 3.74 1.77 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.79 0.85 0.00 0.00 76 L 7.78 3.96 0.00 1.25 1.52 -0.10 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.63 4.02 0.00 1.62 1.77 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.14 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.44 1.38 7.81 78 K 7.93 3.95 0.00 1.78 1.83 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.64 1.58 7.81 79 K 8.17 2.00 0.00 1.18 0.74 0.00 1.46 0.00 0.00 1.40 0.00 0.00 2.71 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.41 0.82 7.81 80 G 7.77 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 0.00 0.00 0.00 81 H 7.39 4.51 0.00 3.16 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.44 5.07 0.00 3.28 3.45 0.00 5.50 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.57 3.99 0.00 2.21 2.32 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 2.39 2.37 0.00 84 A 7.91 4.00 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 85 E 8.18 4.07 0.00 2.26 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 86 L 8.03 4.30 0.00 2.04 1.71 1.01 0.73 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 87 K 7.96 3.97 0.00 1.96 1.84 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.70 7.81 88 P 0.00 4.30 0.00 2.30 2.35 0.00 3.93 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 2.26 2.07 0.00 89 L 7.57 4.06 0.00 1.96 2.01 1.06 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.44 4.27 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.28 3.88 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 92 S 7.99 4.01 0.00 3.98 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 0.00 93 H 8.42 4.15 0.00 3.49 3.59 0.00 5.80 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 94 A 7.65 2.61 0.56 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 95 T 7.30 3.58 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 1.10 0.00 0.00 96 K 7.60 3.95 0.00 1.52 1.56 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.25 1.34 7.81 97 H 7.97 4.31 0.00 3.02 3.13 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.36 3.37 0.00 1.75 1.78 0.00 1.57 0.00 0.00 0.61 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.27 1.29 7.81 99 I 8.30 4.37 2.12 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 1.57 1.02 1.14 0.00 0.00 100 P 0.00 4.76 0.00 1.97 2.00 0.00 3.40 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 0.88 1.13 0.00 101 I 8.41 3.56 1.78 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.92 0.84 0.00 0.00 102 K 8.00 3.60 0.00 1.71 1.65 0.00 1.51 0.00 0.00 1.82 0.00 0.00 2.20 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 0.73 7.81 103 Y 8.01 4.12 0.00 3.24 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 0.00 104 L 8.07 4.23 0.00 1.86 1.76 0.67 0.89 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 0.00 105 E 7.90 4.01 0.00 2.15 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 0.00 2.41 2.36 0.00 106 F 8.07 4.45 0.00 3.13 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.00 3.88 1.92 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 1.13 0.00 0.00 108 S 8.13 4.25 0.00 4.27 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 0.00 109 E 8.38 4.01 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 2.36 2.40 0.00 110 A 7.94 4.03 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.13 3.72 2.19 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.25 1.06 0.00 0.00 112 I 7.92 3.89 2.13 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 1.82 1.22 1.16 0.00 0.00 113 H 8.44 4.09 0.00 3.39 3.44 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.93 3.53 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 0.92 0.00 0.00 0.98 0.00 0.00 115 L 7.74 3.78 0.00 0.67 0.66 0.91 0.66 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 0.00 116 H 7.60 4.29 0.00 3.43 3.59 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.56 4.16 0.00 3.95 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 0.00 118 R 7.72 4.02 0.00 1.41 1.61 0.00 3.08 0.00 0.00 2.98 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 119 H 8.06 5.01 0.00 3.17 3.17 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.29 0.00 2.17 2.09 0.00 3.58 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 2.08 2.17 0.00 121 G 8.18 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 0.00 0.00 0.00 122 N 8.13 5.00 0.00 2.76 2.83 0.00 0.00 6.66 7.39 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 0.00 123 F 8.01 4.88 0.00 3.02 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 0.00 124 G 7.55 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 0.00 125 A 8.48 3.90 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 0.00 126 D 7.94 4.17 0.00 2.65 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 A 7.75 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 0.00 128 Q 7.81 3.31 0.00 1.18 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 129 G 8.03 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 0.00 130 A 8.02 3.82 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 0.00 131 M 8.06 3.96 0.00 2.33 2.33 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.92 0.00 132 N 8.33 4.34 0.00 2.90 2.98 0.00 0.00 6.86 6.98 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 0.00 133 K 8.20 3.84 0.00 1.96 1.77 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.38 7.81 134 A 8.04 3.83 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 0.00 135 L 8.11 4.17 0.00 1.81 1.89 1.04 0.83 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 0.00 136 E 8.56 3.96 0.00 2.18 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 2.35 2.60 0.00 137 L 7.93 3.94 0.00 1.95 2.08 1.03 1.12 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 0.00 138 F 8.39 4.21 0.00 3.15 3.19 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 0.00 139 R 8.18 3.42 0.00 2.00 1.82 0.00 3.15 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 2.00 0.00 140 K 8.42 3.87 0.00 1.77 1.95 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.61 7.81 141 D 8.18 4.33 0.00 2.85 2.71 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 0.00 142 I 7.73 3.48 1.21 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 0.81 -0.07 0.28 0.00 0.00 143 A 8.05 3.58 1.23 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 0.00 0.00 144 A 7.94 3.95 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 0.00 145 K 8.16 4.05 0.00 2.18 1.97 0.00 1.60 0.00 0.00 1.67 0.00 0.00 3.27 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.57 7.81 146 Y 8.50 4.34 0.00 3.28 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 0.00 147 K 8.17 3.97 0.00 2.04 1.90 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.74 1.65 7.81 148 E 7.81 4.11 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 149 L 7.58 4.45 0.00 1.72 1.67 0.93 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.88 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 0.00 0.00 0.00 151 Y 7.92 4.42 0.00 2.60 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 0.00 152 Q 8.20 3.41 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 153 G 7.09 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 0.00 0.00 0.00