NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.2675 7.8827 121.4493 61.2247 38.5730 173.7565 17 V 4.1660 8.8315 126.3448 61.7226 32.7779 174.6495 18 G 3.9701 8.6014 114.3667 46.6112 0.0000 173.6709 19 G 4.0997 7.5915 110.5546 45.1501 0.0000 172.4017 20 Y 4.9420 8.0965 118.1097 55.3599 40.9254 174.9608 21 T 4.0313 8.6025 116.8378 64.1464 68.8325 175.8250 22 C 4.2569 8.4421 125.2710 58.6102 37.7074 175.8171 23 G 3.9741 7.8606 103.3319 45.2681 0.0000 172.4657 24 A 3.9927 8.3118 124.6308 53.3974 18.4510 177.0606 25 N 4.3161 8.8996 119.2908 54.7165 35.9239 175.4441 26 T 4.2251 7.5302 107.8608 62.5240 69.7647 175.3418 27 V 4.0249 7.0750 122.6471 60.3440 31.1454 173.4313 28 P 4.4810 0.0000 0.0000 63.3706 31.9977 177.5559 29 Y 4.9686 6.5683 116.5447 56.2252 39.8603 174.9124 30 Q 4.2889 7.4685 122.7050 56.7673 29.6144 175.7037 31 V 4.7180 8.9558 120.5591 59.9366 34.8689 174.7631 32 S 5.1143 8.6221 117.8286 56.7772 64.6906 172.7542 33 L 4.6465 8.4121 127.3678 53.5152 43.4193 175.2840 34 N 5.5656 8.7214 121.9053 51.0332 42.1932 173.9646 *37 S 4.2608 8.6033 121.1931 57.6464 63.3550 173.9288 38 G 3.9766 9.8616 112.5962 45.6990 0.0000 170.2242 39 Y 4.4263 6.6670 115.9203 56.6972 39.7689 171.8659 40 H 4.7203 8.8278 120.9277 55.3351 30.5145 174.7006 41 F 4.8950 7.4766 119.0330 56.5325 39.4641 173.5548 42 C 4.7668 6.5553 116.4989 56.4338 39.0900 172.9518 43 G 4.2007 8.3549 108.7263 45.6229 0.0000 171.6534 44 G 5.1229 7.9737 105.0309 46.6211 0.0000 172.5136 45 S 5.4706 8.8603 115.5467 56.4001 66.7421 173.8084 46 L 4.7552 9.0914 127.3217 54.9832 42.3309 177.1755 47 I 4.5502 8.7333 119.2898 61.0981 39.4378 174.4217 48 N 4.9629 7.6757 116.7151 51.8504 39.6634 174.4766 49 S 4.3985 8.8132 111.2026 60.8465 63.3381 174.7604 50 Q 4.6140 8.9001 118.9047 55.1378 31.0671 174.7098 51 W 5.6100 8.2661 117.8387 55.2585 34.2628 173.9691 52 V 5.0061 9.2423 123.3367 61.1873 34.6099 174.1712 53 V 4.7437 9.1566 127.7422 62.1311 33.2833 174.5665 54 S 4.5483 8.9074 122.1009 57.7121 66.0963 171.9287 55 A 4.7503 8.5480 119.6943 50.6007 20.5323 178.4527 56 A 3.8389 8.2972 124.4125 55.2316 18.4729 179.1614 57 H 4.5433 8.3416 109.6144 57.3041 28.8981 175.2435 58 C 4.7353 7.6983 117.3492 56.8307 40.2221 173.0018 59 Y 4.1539 7.7276 122.5635 57.8452 38.4974 175.5204 60 K 3.8497 7.3591 124.4353 54.9903 35.7669 175.4822 61 S 4.1407 7.9658 115.2073 59.1382 63.3751 173.7689 62 G 3.7451 8.2960 107.1136 46.8363 0.0000 173.9209 63 I 4.2524 7.5113 119.7881 59.9933 39.3141 175.2756 64 Q 4.7892 9.0834 129.0673 54.4036 31.0017 174.3737 65 V 4.1660 8.8244 127.6280 62.3343 33.2855 174.7018 66 R 5.1104 9.0686 127.3639 54.6851 32.4904 175.0340 67 L 4.7668 8.9038 124.2981 52.1740 44.9750 176.9720 *69 G 3.9788 7.9643 107.5726 45.6565 0.0000 173.1241 70 E 4.2791 7.9268 116.9718 56.1669 30.4360 175.0340 71 D 4.8959 7.9355 116.8797 55.3660 44.4420 174.5609 72 N 5.0262 8.8676 119.0928 53.1016 39.2328 176.1163 73 I 3.9032 8.7361 119.8301 61.9178 38.0880 176.2167 74 N 4.6967 8.3659 117.9552 53.4676 38.9435 175.0631 75 V 4.4286 7.2009 116.3938 60.9280 34.8185 174.3288 76 V 4.1005 8.3541 126.3506 62.5871 31.8471 175.3436 77 E 4.6260 10.7166 125.6265 55.3261 31.6798 176.0245 78 G 3.8165 7.1965 114.1129 45.4848 0.0000 173.6981 79 N 4.9359 7.5571 114.8101 52.4446 39.8332 174.1947 80 E 5.0231 7.9703 118.0035 56.3803 30.4436 176.3314 81 Q 4.5280 8.5994 121.2844 54.1524 32.4545 174.0450 82 F 5.5690 8.8130 122.7888 56.0995 40.8970 175.3867 83 I 4.7354 8.6650 124.0034 59.5999 41.6450 174.9701 84 S 4.6375 8.7100 122.1492 57.8544 64.2858 173.4770 85 A 4.5170 8.3355 126.4130 52.5732 18.0109 177.6341 86 S 4.5485 8.8564 117.1956 59.0788 64.7975 174.7729 87 K 4.7331 7.6002 118.9515 54.9097 36.6929 175.3655 88 S 5.1219 8.8003 118.9649 57.0735 66.3654 173.6550 89 I 4.4753 9.3935 126.9702 59.4389 39.0786 175.1896 90 V 4.2460 8.3302 127.2343 61.9411 32.8548 175.3423 91 H 4.1528 8.7756 126.6381 55.9192 30.1793 174.6403 92 P 4.3585 0.0000 0.0000 65.1713 31.3567 177.3416 93 S 4.6901 7.9731 111.3806 57.9863 63.0422 173.2235 94 Y 4.3626 7.7611 122.6104 58.2855 38.9930 174.7088 95 N 4.6946 8.4288 125.5833 51.2504 40.6038 175.3695 96 S 3.9186 7.8841 120.1999 60.5865 63.5963 175.4546 97 N 4.3474 8.0739 117.9611 55.9058 38.5114 176.1523 98 T 3.8929 7.8947 106.5362 61.4862 69.5048 175.0756 99 L 3.7501 7.5472 120.1802 55.4982 39.8072 173.8382 100 N 4.5441 7.9065 117.3064 54.3966 39.6515 174.5358 101 N 4.9976 8.6671 119.9567 54.0669 35.9569 175.5775 102 D 4.7214 7.9227 117.5688 53.0133 39.7036 174.6705 103 I 4.7988 7.1647 120.9451 59.2491 42.3307 172.8225 104 M 5.4203 8.9799 126.8561 54.0138 36.2961 173.3616 105 L 5.3670 9.4317 125.0027 53.2323 44.6674 175.3233 106 I 4.9496 9.0860 124.4976 59.2994 39.9974 174.7496 107 K 3.4297 8.2829 129.2002 55.5552 33.1277 175.8053 108 L 4.3889 8.0033 127.8527 53.8624 41.9974 176.9988 109 K 4.1133 8.9131 125.4996 59.1803 32.5777 177.0108 110 S 4.6071 7.7337 111.0497 55.8041 66.0604 173.1990 111 A 4.3589 8.4715 123.2988 52.2158 18.5929 177.4683 112 A 4.3137 8.8245 124.4006 51.9905 19.4511 177.4120 113 S 4.4188 9.0925 117.6315 58.0863 63.5296 174.0577 114 L 4.9465 8.2652 124.7507 53.2717 44.0487 176.1189 115 N 4.6492 8.3464 118.0455 52.9529 40.2024 174.1963 116 S 4.2690 8.8931 111.2782 61.5970 63.3680 175.1364 117 R 4.2556 7.8723 117.2385 56.3574 30.6361 176.2852 118 V 4.4926 7.5117 117.6694 61.1689 33.8104 173.2721 119 A 5.1058 8.8753 128.6945 50.4552 22.8258 175.4141 120 S 4.7640 8.7480 115.0460 57.9949 64.7208 173.0480 121 I 4.4173 8.0774 121.1177 59.1005 39.7184 175.5459 122 S 4.4223 8.3836 124.1285 58.2591 64.0809 173.9384 123 L 4.2889 8.3243 122.5300 53.8117 42.2823 175.5138 124 P 4.4707 0.0000 0.0000 62.8868 32.2715 176.6098 125 T 4.1588 8.2792 110.4154 62.4801 70.0503 174.5928 *127 S 4.9835 7.5569 114.5399 57.9060 64.0443 173.8141 128 C 4.3641 8.3851 117.3872 56.7550 40.4964 173.5566 129 A 4.4144 7.9801 125.0137 51.1984 20.0658 176.4141 130 S 4.4909 7.9673 112.9674 56.2621 65.8080 172.9612 *132 A 4.1715 8.2225 122.4823 53.4506 19.1311 176.8824 133 G 4.0102 9.0669 111.1836 45.3590 0.0000 174.3228 134 T 3.9911 7.5576 117.3149 63.5983 69.3484 173.8343 135 Q 4.6416 8.6170 127.5039 56.3876 30.0827 175.4431 136 C 5.2330 9.2520 121.6761 55.2851 43.2551 172.4619 137 L 5.1501 9.0880 122.9168 53.5543 44.2660 175.0097 138 I 5.3923 8.9226 127.4361 58.7618 39.8193 175.0064 139 S 5.4781 8.6805 119.8768 54.8795 66.6418 173.3109 140 G 4.0500 7.2651 111.0628 45.5870 0.0000 172.2734 141 W 4.9289 8.3476 117.3372 56.3613 29.8956 176.8667 142 G 4.2281 8.7134 108.5692 45.2911 0.0000 173.5469 143 N 4.0215 8.6226 119.0841 54.2849 38.9743 174.7392 144 T 4.8858 8.6404 113.7674 60.5024 69.6866 174.3175 145 K 4.6320 7.8732 121.5512 54.8223 34.6775 176.0879 146 S 4.4494 8.6432 116.8680 59.3064 63.9937 174.5054 147 S 4.6168 7.6576 113.5782 56.9610 65.2738 174.6503 148 G 3.9834 8.7217 111.7074 45.0508 0.0000 172.4301 149 T 4.8431 7.8897 107.2939 60.1094 72.0723 173.8878 150 S 4.4283 9.3437 117.9318 57.8501 66.2368 172.3672 151 Y 5.0841 8.6374 125.5785 55.6572 39.2840 174.2199 152 P 4.6755 0.0000 0.0000 62.3060 33.0447 176.2912 153 D 4.5110 8.8716 119.2414 57.1743 41.0734 177.0136 154 V 5.6588 7.4037 109.3955 58.4400 34.7354 175.5725 155 L 3.1028 8.5379 124.8486 55.0013 42.9986 176.0214 156 K 4.8642 7.9480 124.3736 54.9001 35.4312 174.5213 157 C 5.1439 8.2477 118.7138 55.3209 45.9716 173.1524 158 L 4.8977 8.2479 122.1089 54.0986 45.5537 174.2259 159 K 5.0998 9.0264 125.9892 55.3933 33.4123 175.9845 160 A 4.8397 9.0629 126.4299 49.7976 23.0863 173.4534 161 P 5.0547 0.0000 0.0000 61.8338 33.8129 175.5058 162 I 4.4500 8.6768 122.8481 61.6757 38.1570 175.1461 163 L 5.0291 8.1962 125.4167 52.6353 43.8899 176.6927 164 S 4.1906 8.6729 116.2055 59.1921 63.7623 174.8792 165 D 4.4545 9.1407 121.8823 57.9119 40.6249 179.5075 166 S 4.1499 8.0464 113.8573 61.5267 62.9588 176.2446 167 S 4.0109 8.0175 116.7235 61.0949 62.1698 174.8670 168 C 4.1773 8.2360 121.1008 60.0654 43.1156 175.6578 169 K 3.9098 8.4049 118.9402 59.7956 31.7852 179.0637 170 S 4.2256 8.6489 112.1046 60.7599 62.3158 175.7052 171 A 4.0609 7.8433 123.2411 53.6719 19.8069 177.2596 172 Y 4.7524 7.8490 114.3479 54.6209 38.1459 171.9566 173 P 4.3165 0.0000 0.0000 64.0389 31.9764 177.2845 174 G 3.9845 8.9591 110.6670 46.0683 0.0000 173.4370 175 Q 4.3824 8.1697 117.1876 55.7165 29.7704 175.5432 176 I 4.3219 7.7574 119.6292 59.9824 37.4160 175.6352 177 T 4.4340 8.2436 116.6075 60.1774 70.2432 175.4667 178 S 4.4175 8.5486 114.5097 59.9515 63.1478 174.2755 179 N 5.0538 8.2221 118.4009 53.3658 38.6719 173.6995 180 M 5.6115 7.8220 117.2370 53.8408 36.0502 174.6726 181 F 5.0915 8.5759 114.7440 55.9621 42.1525 172.7551 182 C 5.7273 9.1951 116.5330 55.6092 41.5135 172.4564 183 A 4.9695 8.5707 121.1241 51.2904 22.2745 176.0013 184 G 4.0569 6.9217 106.7022 44.7329 0.0000 172.7185 184A Y 4.6047 8.3559 119.8856 55.9803 40.7654 176.4061 185 L 4.0864 8.6502 125.8391 57.3609 41.9690 178.6993 186 E 4.0856 8.2116 114.6193 56.8225 30.1099 176.9785 187 G 3.7861 7.7723 107.4169 45.4950 0.0000 174.0786 188 G 4.0363 9.0523 105.3603 45.2088 0.0000 173.4408 188A K 4.8523 7.3967 116.5977 55.4251 35.5428 175.1571 189 D 4.7294 8.8901 123.7871 53.4922 45.4909 174.6492 190 S 4.8607 8.7322 116.6687 58.3173 65.0230 173.3011 191 C 4.7847 8.9702 118.4762 55.6813 47.4870 172.5704 192 Q 4.5128 8.5490 118.6904 57.6135 28.6951 177.2844 193 G 4.2244 9.2940 110.3105 45.6696 0.0000 174.0175 194 D 4.7066 8.2018 118.2719 55.1663 41.7059 176.8044 195 S 4.6046 8.1043 115.8289 60.5970 63.4122 174.8215 196 G 4.2651 8.5363 112.1708 46.4755 0.0000 173.8193 197 G 4.3225 7.9770 106.9571 45.4942 0.0000 171.1067 198 P 5.0083 0.0000 0.0000 62.0870 33.8005 175.4986 199 V 4.4207 8.4102 121.5303 61.4608 33.6833 174.0870 200 V 4.8309 8.7985 129.5201 61.3973 33.5689 173.8079 201 C 5.0863 9.0433 125.2494 56.1936 43.8784 175.4083 202 S 3.6608 9.3153 118.8462 59.5982 61.4944 172.8671 203 G 3.9153 8.2628 108.9121 46.1675 0.0000 172.9575 204 K 4.7507 7.7711 118.1922 53.3694 34.8181 175.2879 *209 L 4.3508 8.1312 122.9543 55.4959 41.8646 175.7134 210 Q 4.3595 8.6849 123.8548 56.9076 30.6358 175.4308 211 G 5.4208 8.0265 104.5142 45.7275 0.0000 171.5565 212 I 5.2977 8.1759 119.3874 59.1003 41.7907 174.9500 213 V 3.8666 8.7850 127.4898 64.0492 31.8084 174.1463 214 S 4.8117 8.5313 120.6995 58.2519 64.5181 173.8118 215 W 4.8080 7.2784 113.8029 55.5908 31.9656 172.2574 216 G 3.8915 8.2305 106.9920 46.6547 0.0000 173.4239 217 S 4.6119 8.4132 115.3924 56.3999 61.6076 173.2031 *219 G 4.0222 7.8673 114.9339 45.2636 0.0000 169.8654 220 C 4.8331 8.3584 115.3640 56.0182 36.9251 173.8934 221 A 3.7449 8.9068 127.3903 53.3010 16.5837 176.8784 221A Q 4.5268 7.8368 117.6190 56.1437 29.9610 176.0468 222 K 4.2430 8.5285 121.0173 58.2796 32.4520 176.5704 223 N 4.2500 9.3638 119.4083 53.9014 36.6754 175.2439 224 K 4.1229 7.6356 118.1701 53.7648 32.4725 174.0389 225 P 4.6839 0.0000 0.0000 61.5001 33.8206 175.9781 226 G 3.6841 8.2558 106.5125 45.6427 0.0000 173.0144 227 V 4.3857 6.8816 118.3796 60.9059 34.9002 173.6857 228 Y 4.8712 8.1452 124.4818 55.8430 42.2556 174.9946 229 T 4.2718 8.4379 120.0525 64.1451 69.7728 174.0449 230 K 5.2837 9.3607 128.7113 55.3989 31.0169 176.9607 231 V 3.8579 9.0813 125.8761 65.7036 31.4424 174.5899 232 C 4.5180 8.2989 112.2511 57.5877 41.5728 174.3669 233 N 4.4078 8.2233 117.7612 53.8945 38.7269 174.7078 234 Y 4.6955 7.8098 117.1346 57.4881 40.4637 178.0817 235 V 3.5182 7.8114 119.3416 66.1341 31.8059 177.4475 236 S 4.0969 8.1868 112.3243 61.0355 62.2438 175.8060 237 W 4.1247 8.3473 130.4540 60.6512 30.5838 177.5199 238 I 3.4329 8.7280 119.9849 64.5669 36.7422 178.6082 239 K 3.8230 8.1295 119.0324 59.3308 31.8471 179.3528 240 Q 3.8289 8.1969 120.0800 59.1732 29.1355 177.8695 241 T 3.4419 7.8358 117.1011 66.8028 68.1924 176.2770 242 I 2.6417 7.0456 119.9239 64.2208 37.0676 178.0828 243 A 4.0877 7.4226 120.1743 54.1889 18.3394 178.8466 244 S 4.4698 7.7040 110.5369 58.8098 63.7826 174.1269 245 N 4.6639 7.7256 124.8055 53.5454 38.7709 174.1466 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 16 I 7.88 4.27 1.78 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 1.22 1.13 0.89 0.00 0.00 17 V 8.83 4.17 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 0.97 0.00 0.00 0.97 0.00 0.00 18 G 8.60 3.97 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 0.00 0.00 0.00 19 G 7.59 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 20 Y 8.10 4.94 0.00 2.92 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 21 T 8.60 4.03 4.30 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 1.25 0.00 0.00 22 C 8.44 4.26 0.00 2.76 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 7.86 3.97 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 0.00 0.00 0.00 24 A 8.31 3.99 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 25 N 8.90 4.32 0.00 2.88 2.95 0.00 0.00 7.18 7.54 0.00 0.00 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 T 7.53 4.23 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 1.22 0.00 0.00 27 V 7.08 4.02 1.73 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 0.29 0.00 0.00 0.75 0.00 0.00 28 P 0.00 4.48 0.00 2.39 2.37 0.00 3.72 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.99 0.00 29 Y 6.57 4.97 0.00 3.12 3.42 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 30 Q 7.47 4.29 0.00 1.79 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.74 0.00 0.00 0.00 0.00 0.00 1.91 2.54 0.00 31 V 8.96 4.72 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 0.88 0.00 0.00 0.99 0.00 0.00 32 S 8.62 5.11 0.00 3.13 3.28 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 33 L 8.41 4.65 0.00 0.49 0.76 0.79 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.72 5.57 0.00 2.39 2.39 0.00 0.00 6.78 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 *37 S 8.60 4.26 0.00 3.95 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 38 G 9.86 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 39 Y 6.67 4.43 0.00 3.10 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 40 H 8.83 4.72 0.00 2.85 3.13 0.00 5.87 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 41 F 7.48 4.89 0.00 2.99 2.61 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 42 C 6.56 4.77 0.00 2.33 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.35 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 0.00 0.00 0.00 44 G 7.97 5.12 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 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.86 5.47 0.00 3.79 3.86 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 0.00 0.00 0.00 46 L 9.09 4.76 0.00 1.88 1.68 1.09 0.78 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 47 I 8.73 4.55 1.91 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 1.47 1.02 0.96 0.00 0.00 48 N 7.68 4.96 0.00 2.99 3.01 0.00 0.00 6.04 7.64 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 49 S 8.81 4.40 0.00 4.20 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 50 Q 8.90 4.61 0.00 2.07 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.77 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 51 W 8.27 5.61 0.00 3.29 3.07 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 52 V 9.24 5.01 2.13 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 0.95 0.00 0.00 0.98 0.00 0.00 53 V 9.16 4.74 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 0.95 0.00 0.00 1.03 0.00 0.00 54 S 8.91 4.55 0.00 3.90 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 55 A 8.55 4.75 1.17 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 0.00 0.00 56 A 8.30 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 8.34 4.54 0.00 3.36 3.64 0.00 5.55 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.70 4.74 0.00 3.21 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 59 Y 7.73 4.15 0.00 2.99 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 60 K 7.36 3.85 0.00 1.47 1.33 0.00 0.98 0.00 0.00 1.27 0.00 0.00 2.32 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.49 1.02 7.81 61 S 7.97 4.14 0.00 3.78 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.30 3.75 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 0.00 0.00 0.00 63 I 7.51 4.25 1.86 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 1.30 0.95 0.91 0.00 0.00 64 Q 9.08 4.79 0.00 1.96 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.96 0.00 0.00 0.00 0.00 0.00 2.09 2.20 0.00 65 V 8.82 4.17 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 0.88 0.00 0.00 0.88 0.00 0.00 66 R 9.07 5.11 0.00 1.60 1.74 0.00 2.64 0.00 0.00 2.65 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.14 0.00 67 L 8.90 4.77 0.00 1.68 1.62 1.02 0.60 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 *69 G 7.96 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 70 E 7.93 4.28 0.00 2.10 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.03 0.00 71 D 7.94 4.90 0.00 2.78 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 72 N 8.87 5.03 0.00 2.85 2.82 0.00 0.00 7.16 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 73 I 8.74 3.90 1.36 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 0.90 0.47 -0.48 0.00 0.00 74 N 8.37 4.70 0.00 2.86 2.89 0.00 0.00 6.62 7.23 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 75 V 7.20 4.43 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 0.75 0.00 0.00 0.95 0.00 0.00 76 V 8.35 4.10 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 0.82 0.00 0.00 0.95 0.00 0.00 77 E 10.72 4.63 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 78 G 7.20 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 7.56 4.94 0.00 2.69 2.80 0.00 0.00 6.92 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 80 E 7.97 5.02 0.00 1.51 1.66 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 2.44 2.31 0.00 81 Q 8.60 4.53 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.88 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 82 F 8.81 5.57 0.00 2.85 2.83 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 83 I 8.67 4.74 1.87 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 1.26 0.70 0.93 0.00 0.00 84 S 8.71 4.64 0.00 3.75 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 85 A 8.34 4.52 1.26 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 86 S 8.86 4.55 0.00 3.79 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 87 K 7.60 4.73 0.00 1.49 1.69 0.00 1.57 0.00 0.00 1.91 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.39 7.81 88 S 8.80 5.12 0.00 4.05 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 89 I 9.39 4.48 2.04 0.00 0.00 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 1.23 1.00 1.00 0.00 0.00 90 V 8.33 4.25 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 0.68 0.00 0.00 0.82 0.00 0.00 91 H 8.78 4.15 0.00 3.04 3.10 0.00 5.65 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 92 P 0.00 4.36 0.00 2.10 2.16 0.00 3.16 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 93 S 7.97 4.69 0.00 3.93 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.76 4.36 0.00 3.15 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 N 8.43 4.69 0.00 2.58 2.43 0.00 0.00 6.57 7.21 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 96 S 7.88 3.92 0.00 3.94 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 97 N 8.07 4.35 0.00 2.81 2.78 0.00 0.00 6.88 7.54 0.00 0.00 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 T 7.89 3.89 4.13 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 1.14 0.00 0.00 99 L 7.55 3.75 0.00 1.44 1.83 0.75 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 100 N 7.91 4.54 0.00 2.81 2.65 0.00 0.00 7.25 6.81 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 0.00 101 N 8.67 5.00 0.00 2.97 2.66 0.00 0.00 7.23 8.06 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 0.00 102 D 7.92 4.72 0.00 3.04 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 0.00 103 I 7.16 4.80 1.39 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.12 0.07 0.00 0.00 104 M 8.98 5.42 0.00 2.15 1.84 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 2.76 2.64 0.00 105 L 9.43 5.37 0.00 1.81 2.03 1.17 0.12 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 0.00 106 I 9.09 4.95 1.91 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 1.17 0.96 0.92 0.00 0.00 107 K 8.28 3.43 0.00 0.79 1.10 0.00 1.33 0.00 0.00 1.35 0.00 0.00 2.71 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.60 0.21 7.81 108 L 8.00 4.39 0.00 1.49 1.57 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.91 4.11 0.00 1.77 1.81 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.36 7.81 110 S 7.73 4.61 0.00 3.93 3.73 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 0.00 111 A 8.47 4.36 1.25 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 0.00 0.00 112 A 8.82 4.31 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 S 9.09 4.42 0.00 3.76 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 0.00 114 L 8.27 4.95 0.00 1.61 1.59 0.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.35 4.65 0.00 2.77 2.79 0.00 0.00 6.98 8.39 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 0.00 116 S 8.89 4.27 0.00 4.02 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 0.00 117 R 7.87 4.26 0.00 1.83 2.03 0.00 3.16 0.00 0.00 3.16 7.31 0.00 0.00 0.00 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1.20 0.00 0.00 *127 S 7.56 4.98 0.00 4.00 3.95 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 0.00 128 C 8.39 4.36 0.00 2.93 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 0.00 129 A 7.98 4.41 1.06 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 0.00 0.00 0.00 130 S 7.97 4.49 0.00 3.95 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 *132 A 8.22 4.17 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 0.00 133 G 9.07 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 T 7.56 3.99 4.19 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 1.16 0.00 0.00 135 Q 8.62 4.64 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 136 C 9.25 5.23 0.00 2.91 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 9.09 5.15 0.00 1.74 1.56 1.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 138 I 8.92 5.39 1.85 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 2.14 0.95 0.00 0.00 139 S 8.68 5.48 0.00 3.47 3.55 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 0.00 140 G 7.27 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 W 8.35 4.93 0.00 3.02 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 0.00 142 G 8.71 4.23 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 0.00 143 N 8.62 4.02 0.00 2.06 2.60 0.00 0.00 7.09 7.57 0.00 0.00 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 T 8.64 4.89 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 145 K 7.87 4.63 0.00 1.90 1.91 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.28 1.28 7.81 146 S 8.64 4.45 0.00 4.07 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 0.00 147 S 7.66 4.62 0.00 3.96 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 0.00 148 G 8.72 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 0.00 149 T 7.89 4.84 4.15 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 1.24 0.00 0.00 150 S 9.34 4.43 0.00 3.79 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 0.00 151 Y 8.64 5.08 0.00 2.99 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 0.00 152 P 0.00 4.68 0.00 2.46 2.10 0.00 4.22 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 2.24 2.07 0.00 153 D 8.87 4.51 0.00 2.81 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 0.00 154 V 7.40 5.66 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 0.73 0.00 0.00 0.97 0.00 0.00 155 L 8.54 3.10 0.00 1.24 1.25 -0.81 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 156 K 7.95 4.86 0.00 1.62 1.48 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.23 1.45 7.81 157 C 8.25 5.14 0.00 1.40 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 0.00 158 L 8.25 4.90 0.00 1.75 1.45 1.02 0.75 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 0.00 159 K 9.03 5.10 0.00 1.82 1.83 0.00 1.90 0.00 0.00 1.77 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.62 7.81 160 A 9.06 4.84 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 P 0.00 5.05 0.00 2.03 2.09 0.00 3.18 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 162 I 8.68 4.45 1.96 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.64 0.90 0.00 0.00 163 L 8.20 5.03 0.00 1.58 1.58 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 164 S 8.67 4.19 0.00 3.90 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 0.00 165 D 9.14 4.45 0.00 2.73 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 0.00 166 S 8.05 4.15 0.00 4.05 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 0.00 167 S 8.02 4.01 0.00 3.94 3.90 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 0.00 168 C 8.24 4.18 0.00 3.22 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 0.00 169 K 8.40 3.91 0.00 1.75 1.92 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.65 7.81 170 S 8.65 4.23 0.00 3.81 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 0.00 171 A 7.84 4.06 1.15 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 0.00 0.00 172 Y 7.85 4.75 0.00 3.07 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 0.00 173 P 0.00 4.32 0.00 2.09 2.09 0.00 3.83 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 174 G 8.96 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 0.00 175 Q 8.17 4.38 0.00 2.41 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.60 0.00 176 I 7.76 4.32 1.98 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 0.94 1.00 0.00 0.00 177 T 8.24 4.43 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 0.00 178 S 8.55 4.42 0.00 4.01 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 N 8.22 5.05 0.00 3.06 3.12 0.00 0.00 6.67 7.67 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 0.00 180 M 7.82 5.61 0.00 1.82 2.10 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.61 0.00 181 F 8.58 5.09 0.00 3.09 3.11 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 0.00 182 C 9.20 5.73 0.00 2.98 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 0.00 183 A 8.57 4.97 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 0.00 184 G 6.92 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 0.00 0.00 0.00 0.00 184A Y 8.36 4.60 0.00 3.09 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 L 8.65 4.09 0.00 1.72 1.72 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 186 E 8.21 4.09 0.00 2.10 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 2.33 2.28 0.00 187 G 7.77 3.79 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 0.00 0.00 0.00 188 G 9.05 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 0.00 0.00 0.00 188A K 7.40 4.85 0.00 1.44 1.66 0.00 1.44 0.00 0.00 1.54 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 1.08 7.81 189 D 8.89 4.73 0.00 2.78 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 S 8.73 4.86 0.00 4.02 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 C 8.97 4.78 0.00 2.96 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 0.00 192 Q 8.55 4.51 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.13 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 193 G 9.29 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 0.00 0.00 0.00 194 D 8.20 4.71 0.00 2.97 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 0.00 195 S 8.10 4.60 0.00 3.99 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 0.00 196 G 8.54 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 0.00 197 G 7.98 4.32 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 0.00 198 P 0.00 5.01 0.00 2.35 2.37 0.00 3.81 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.18 0.00 199 V 8.41 4.42 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 0.75 0.00 0.00 0.46 0.00 0.00 200 V 8.80 4.83 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 0.90 0.00 0.00 0.75 0.00 0.00 201 C 9.04 5.09 0.00 2.79 2.86 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 0.00 0.00 0.00 202 S 9.32 3.66 0.00 4.03 4.19 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 0.00 203 G 8.26 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 0.00 204 K 7.77 4.75 0.00 1.79 1.65 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.40 7.81 *209 L 8.13 4.35 0.00 1.51 1.64 1.04 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 210 Q 8.68 4.36 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.41 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 211 G 8.03 5.42 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 0.00 212 I 8.18 5.30 1.92 0.00 0.00 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 1.29 1.18 0.95 0.00 0.00 213 V 8.78 3.87 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 0.97 0.00 0.00 1.17 0.00 0.00 214 S 8.53 4.81 0.00 4.02 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 0.00 215 W 7.28 4.81 0.00 3.36 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 0.00 216 G 8.23 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 S 8.41 4.61 0.00 4.32 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 *219 G 7.87 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 0.00 220 C 8.36 4.83 0.00 2.94 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 0.00 221 A 8.91 3.74 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 221A Q 7.84 4.53 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.30 7.00 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 222 K 8.53 4.24 0.00 1.74 1.77 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.64 1.48 7.81 223 N 9.36 4.25 0.00 2.75 2.83 0.00 0.00 6.81 7.88 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 0.00 224 K 7.64 4.12 0.00 1.73 1.76 0.00 1.74 0.00 0.00 1.31 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.48 7.81 225 P 0.00 4.68 0.00 2.10 2.09 0.00 3.54 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 226 G 8.26 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 V 6.88 4.39 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 0.37 0.00 0.00 -0.48 0.00 0.00 228 Y 8.15 4.87 0.00 1.49 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 T 8.44 4.27 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 1.10 0.00 0.00 230 K 9.36 5.28 0.00 2.18 1.99 0.00 1.82 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.55 7.81 231 V 9.08 3.86 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 1.04 0.00 0.00 232 C 8.30 4.52 0.00 3.16 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 0.00 233 N 8.22 4.41 0.00 2.14 2.47 0.00 0.00 6.74 7.27 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 0.00 234 Y 7.81 4.70 0.00 3.22 3.12 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 0.00 0.00 0.00 235 V 7.81 3.52 2.12 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 1.05 0.00 0.00 1.08 0.00 0.00 236 S 8.19 4.10 0.00 3.97 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 0.00 237 W 8.35 4.12 0.00 3.60 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 0.00 238 I 8.73 3.43 2.08 0.00 0.00 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 1.72 1.09 0.82 0.00 0.00 239 K 8.13 3.82 0.00 1.87 1.78 0.00 1.62 0.00 0.00 1.51 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.57 7.81 240 Q 8.20 3.83 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 241 T 7.84 3.44 3.34 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 0.73 0.00 0.00 242 I 7.05 2.64 1.38 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.49 0.00 0.00 243 A 7.42 4.09 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 0.00 244 S 7.70 4.47 0.00 4.02 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 0.00 245 N 7.73 4.66 0.00 3.06 3.03 0.00 0.00 6.79 6.86 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 * Residues marked with a * may have inaccurate shift predictions.