NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4248 8.1927 115.3002 58.4410 64.4669 175.7142 3 V 3.3806 7.6352 119.2705 65.5792 31.0449 176.1415 4 Y 3.9636 8.6746 116.6993 61.1488 38.3411 177.3532 5 D 4.5070 8.1929 119.1658 57.2641 40.9716 178.5275 6 A 3.9690 7.9204 120.8986 54.9401 18.5078 179.5064 7 A 3.9214 8.1339 118.9107 54.7686 18.1387 179.5649 8 A 4.0428 7.4705 118.7079 54.9198 18.5045 179.2477 9 Q 4.2135 7.7208 115.2875 57.0737 29.9838 177.2795 10 L 4.2100 7.1793 121.1950 53.7215 40.0864 176.9482 11 T 4.1888 7.6234 114.5242 60.5675 71.5728 175.0795 12 A 3.9470 8.4013 121.9967 55.5697 18.2506 179.5251 13 D 4.3010 7.9555 116.8509 57.2219 40.9973 178.9892 14 V 3.4860 7.4027 117.8531 66.0390 31.5777 178.3773 15 K 3.8989 8.1487 118.1734 59.0058 31.7735 179.3895 16 K 3.9654 7.7706 119.7970 59.6414 32.1767 178.7329 17 D 4.6409 8.1633 119.2194 57.1564 40.6949 178.7830 18 L 3.7792 7.9643 119.7167 57.7849 41.6685 179.7639 19 R 4.0663 7.9975 118.0433 59.3674 29.8487 178.9290 20 D 4.4933 8.3682 119.0797 57.3602 40.8033 178.9772 21 S 3.0424 8.3363 114.8982 60.7133 63.0769 176.3496 22 W 4.2647 8.6024 131.9522 59.9134 30.2234 177.8373 23 K 4.0920 7.9190 118.6248 58.6097 31.8813 178.1471 24 V 3.9558 6.9646 115.1099 64.8645 32.0837 177.8601 25 I 3.4396 7.5816 119.6618 64.2797 36.9616 178.0920 26 G 2.4579 6.9724 106.4906 45.6952 0.0000 174.4859 27 S 4.1350 7.1718 114.2500 59.9321 63.8230 174.3292 28 D 4.6203 7.2500 119.2889 51.2075 41.1560 175.4106 29 K 3.8617 8.0069 123.3006 58.5187 32.4004 178.4315 30 K 4.0147 7.9522 119.6266 59.3688 32.3158 179.0182 31 G 3.8324 7.9917 106.7505 47.6122 0.0000 175.2859 32 N 4.4969 8.3178 119.5658 55.1942 38.5176 178.0231 33 G 3.5179 8.1281 107.5550 47.8356 0.0000 176.0262 34 V 3.6313 8.0222 122.3376 64.8945 31.5697 177.8904 35 A 3.9158 7.7916 120.1765 54.9769 18.1549 179.6073 36 L 3.7488 7.8730 117.3708 57.8931 41.7522 179.8578 37 V 3.0721 7.4830 118.1948 66.1091 31.4890 178.1844 38 T 3.8505 7.9116 109.6995 65.1429 68.4109 176.5820 39 T 3.8737 7.7335 118.4264 65.9880 68.3391 176.5057 40 L 3.8505 7.5239 122.4064 58.2937 42.0037 179.1820 41 F 4.6136 7.7312 117.4687 60.3782 38.5364 177.6951 42 A 4.0602 7.8885 119.8867 55.3776 18.3432 179.0828 43 D 4.6460 8.2487 116.1921 55.6400 42.5547 176.7513 44 N 5.0623 8.4917 117.2742 49.8826 39.1428 174.4262 45 Q 4.3955 8.6404 122.4022 58.5457 28.8084 178.8956 46 E 4.0898 8.3150 118.9522 59.2054 29.7398 178.6715 47 T 4.5062 8.3260 110.2337 64.0075 68.8872 176.4054 48 I 3.8154 8.1323 123.4731 63.9809 36.7939 178.1168 49 G 3.5315 7.7890 105.4019 47.2702 0.0000 174.4638 50 Y 4.3201 7.7222 116.6218 58.4599 38.6380 175.7514 51 F 4.9664 8.1100 119.9934 56.5463 40.0359 177.6322 52 K 3.9495 8.2677 123.9213 59.3855 32.3492 178.4769 53 R 3.9905 7.9780 118.0297 59.0514 30.1285 177.2392 54 L 4.1979 7.8770 116.5522 55.4171 42.6441 179.2696 55 G 3.8358 7.6178 106.3474 46.5226 0.0000 176.9391 56 D 4.5507 8.3702 118.1088 53.8265 40.0234 176.7816 57 V 3.8892 7.9622 118.7155 62.7062 31.6431 177.4222 58 S 4.2999 7.9470 113.3445 60.8469 62.9871 175.9800 59 Q 4.1211 7.9760 120.8337 56.1632 29.0457 177.9221 60 G 3.7360 8.4657 108.4488 46.2523 0.0000 175.3983 61 M 3.8647 9.1861 121.7368 58.4618 31.7900 177.2507 62 A 3.9902 7.9157 119.3387 54.3369 18.9630 177.1319 63 N 4.5713 8.2584 115.3249 52.9252 39.3356 174.9462 64 D 4.4347 8.7663 129.1378 57.6423 41.0240 179.1181 65 K 4.0386 7.9937 118.2646 59.4091 32.1231 179.0940 66 L 4.0753 7.8889 120.2232 58.0179 42.1287 178.8183 67 R 3.9993 8.7140 119.3988 59.3138 29.9456 178.7152 68 G 3.6828 8.5634 106.0835 47.9795 0.0000 175.2493 69 H 4.2631 8.4255 120.5322 59.1637 30.0248 177.4141 70 S 4.0463 8.2506 117.0668 61.7231 62.5519 176.8690 71 I 3.8603 7.8479 122.1640 64.8940 37.0166 178.6636 72 T 4.1031 7.8351 116.2841 66.5675 68.2405 176.3371 73 L 4.0675 8.2026 122.4790 58.5781 42.0832 179.0461 74 M 4.2809 7.9670 118.4789 58.3382 31.9583 177.8806 75 Y 4.1424 7.9521 115.4724 59.7156 38.1099 177.6189 76 A 3.8357 7.8502 122.5642 54.7927 18.5355 179.6288 77 L 3.5481 7.4842 117.0372 57.6363 41.7195 179.1933 78 Q 3.4849 7.8766 119.5824 58.8718 28.7136 177.9354 79 N 4.1704 7.3489 116.5817 56.7121 39.4081 176.4826 80 F 4.5106 7.3392 119.0088 60.7997 38.7981 177.6901 81 I 3.4901 7.6725 119.5840 64.5289 36.5953 178.2821 82 D 4.4015 7.8822 118.4365 56.5389 40.9682 177.7174 83 Q 4.4418 7.5716 116.6305 55.5746 28.7266 177.2509 84 L 3.9086 7.3682 121.9843 57.9046 41.7255 178.0476 85 D 4.5310 7.9251 115.2664 55.0391 41.3954 176.5626 86 N 4.8260 7.8752 117.8506 49.9227 39.6747 171.8986 87 P 4.1948 0.0000 0.0000 65.6385 31.6994 177.5948 88 D 4.4711 8.2067 116.8317 57.6273 40.8855 178.4597 89 D 4.3709 8.2140 118.9162 57.0279 40.8149 178.5302 90 L 3.8879 7.9347 120.9664 58.0606 42.0934 179.2550 91 V 3.2986 7.6648 118.3639 66.0483 31.4824 177.8386 92 C 4.1601 7.8865 114.0148 61.2403 29.4174 176.0044 93 V 3.7209 7.9171 120.8580 65.6112 31.1247 178.2818 94 V 3.5328 7.8731 118.2414 65.9025 30.8192 177.9632 95 E 3.9956 8.2755 118.4621 59.1226 29.0403 179.1937 96 K 4.0151 7.8668 118.8772 59.5093 32.9087 178.3629 97 F 4.2985 8.5000 120.8259 61.2443 39.2948 176.9798 98 A 3.7764 8.3740 120.3262 54.4138 18.1939 179.3899 99 V 3.5020 7.3757 116.3875 66.8216 31.4365 178.1328 100 N 4.3533 7.9806 115.1156 56.4254 38.4340 177.0388 101 H 4.1887 7.5661 116.7226 58.4390 28.7524 177.8748 102 I 3.7630 8.1416 122.4521 64.6059 36.7043 178.5139 103 T 3.9193 7.6184 115.4584 66.3903 68.3321 176.0665 104 R 4.1837 7.4863 116.8244 55.5000 30.5124 176.2852 105 K 3.8097 7.8971 117.2822 57.5656 29.8516 176.5081 106 I 4.1166 7.5296 121.0829 59.7252 36.9273 177.0052 107 S 4.4149 8.3604 120.9298 57.7980 65.0912 174.7710 108 A 4.0301 8.5189 123.4321 55.1334 17.8463 179.8463 109 A 3.9938 7.9189 118.2169 55.2851 18.9794 178.9386 110 E 4.0919 8.1192 117.4503 59.5048 29.7316 178.8376 111 F 4.1589 8.6422 120.9257 61.1010 39.4891 177.0583 112 G 3.8972 8.3598 104.8010 46.8101 0.0000 175.0685 113 K 4.2405 7.6942 119.1646 58.1533 32.3611 178.0664 114 I 3.8578 7.6144 119.0383 62.5023 37.8729 177.1502 115 N 4.4491 8.1936 117.9024 56.6082 38.3879 177.1688 116 G 3.6186 8.0260 106.5382 47.5269 0.0000 173.5807 117 P 4.2278 0.0000 0.0000 65.1233 31.2511 178.7604 118 I 3.5019 7.6450 118.4567 64.1804 37.0088 178.3388 119 K 3.9083 8.2024 120.5586 59.4850 31.9739 179.0395 120 K 3.9825 8.1153 118.7602 59.3868 31.7508 179.5744 121 V 3.5399 8.0321 118.9169 65.8895 31.3224 178.0944 122 L 3.9085 8.1520 118.8176 57.8068 41.4442 179.3873 123 A 4.0358 8.1590 120.9641 55.0074 18.0631 179.7366 124 S 4.1391 7.9378 111.9144 60.4889 63.1220 175.7895 125 K 4.3241 7.1904 119.6521 55.3602 32.4405 175.5205 126 N 4.1159 8.0969 115.4322 54.5388 35.7777 174.5392 127 F 4.4924 8.0628 118.0680 55.5440 40.1238 177.3423 128 G 4.0342 8.6586 113.8854 44.5030 0.0000 172.1458 129 D 4.5218 8.8242 118.5878 57.1754 40.2526 178.6814 130 K 3.8081 8.1968 119.8589 60.0098 32.0965 178.1861 131 Y 4.1920 8.1593 116.0381 60.7287 37.8455 177.8914 132 A 4.2104 8.1460 121.5350 55.3129 18.4293 179.2932 133 N 4.3811 8.7631 115.2780 56.1583 38.2142 177.5400 134 A 3.9424 7.7300 121.9003 55.1378 18.4985 179.8401 135 W 3.9037 8.4851 117.1924 59.6211 29.2149 178.6948 136 A 4.1253 8.1783 120.9381 54.9542 17.5164 179.8167 137 K 3.9814 7.5894 116.6231 59.2009 32.3951 179.0795 138 L 3.9018 7.4629 120.4200 58.1137 41.9546 179.1770 139 V 3.7113 8.0925 118.0215 65.9551 31.4914 177.8287 140 A 4.4255 7.8143 121.5781 54.4311 17.8983 179.8014 141 V 3.4119 7.3222 116.4465 66.0360 31.8443 178.1808 142 V 3.4335 7.3042 117.5712 65.8841 31.3115 177.8540 143 Q 3.8733 8.3013 117.9147 58.7976 28.3077 178.5496 144 A 4.0536 7.7704 120.1355 54.0032 18.4750 178.4259 145 A 4.3174 7.6316 117.4509 52.3801 19.5218 177.1261 146 L 4.1560 7.3835 121.8820 54.6972 41.8685 176.4432 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 2 S 8.19 4.42 0.00 3.88 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 3 V 7.64 3.38 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 0.81 0.00 0.00 0.84 0.00 0.00 4 Y 8.67 3.96 0.00 2.99 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 D 8.19 4.51 0.00 2.84 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 6 A 7.92 3.97 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 7 A 8.13 3.92 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 8 A 7.47 4.04 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 9 Q 7.72 4.21 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.30 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 10 L 7.18 4.21 0.00 1.73 1.53 0.76 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.62 4.19 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 1.18 0.00 0.00 12 A 8.40 3.95 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 13 D 7.96 4.30 0.00 2.66 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.40 3.49 2.22 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 0.91 0.00 0.00 0.87 0.00 0.00 15 K 8.15 3.90 0.00 1.78 1.77 0.00 1.70 0.00 0.00 1.50 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.59 7.81 16 K 7.77 3.97 0.00 1.96 1.99 0.00 1.56 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.46 1.57 7.81 17 D 8.16 4.64 0.00 2.79 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 18 L 7.96 3.78 0.00 1.62 1.21 0.53 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.00 4.07 0.00 2.06 2.04 0.00 3.12 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 20 D 8.37 4.49 0.00 2.96 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 21 S 8.34 3.04 0.00 3.37 3.38 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 22 W 8.60 4.26 0.00 3.81 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 23 K 7.92 4.09 0.00 2.01 2.05 0.00 1.88 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.46 7.81 24 V 6.96 3.96 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 1.06 0.00 0.00 1.09 0.00 0.00 25 I 7.58 3.44 1.60 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 1.20 0.95 0.65 0.00 0.00 26 G 6.97 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 0.00 0.00 0.00 27 S 7.17 4.14 0.00 3.92 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 28 D 7.25 4.62 0.00 2.66 2.39 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 29 K 8.01 3.86 0.00 1.73 1.69 0.00 1.22 0.00 0.00 0.74 0.00 0.00 2.29 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.23 1.36 7.81 30 K 7.95 4.01 0.00 1.83 1.78 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.50 7.81 31 G 7.99 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 32 N 8.32 4.50 0.00 2.70 2.73 0.00 0.00 6.98 7.13 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 33 G 8.13 3.52 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 0.00 34 V 8.02 3.63 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 1.19 0.00 0.00 0.96 0.00 0.00 35 A 7.79 3.92 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 36 L 7.87 3.75 0.00 1.82 1.59 0.83 0.53 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 37 V 7.48 3.07 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 0.30 0.00 0.00 0.82 0.00 0.00 38 T 7.91 3.85 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 39 T 7.73 3.87 4.31 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 1.21 0.00 0.00 40 L 7.52 3.85 0.00 1.64 1.41 0.89 0.93 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 41 F 7.73 4.61 0.00 3.23 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 42 A 7.89 4.06 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 43 D 8.25 4.65 0.00 2.66 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 44 N 8.49 5.06 0.00 2.95 2.96 0.00 0.00 6.65 7.28 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 45 Q 8.64 4.40 0.00 2.30 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.89 0.00 0.00 0.00 0.00 0.00 2.45 2.33 0.00 46 E 8.32 4.09 0.00 2.22 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 0.00 2.48 2.39 0.00 47 T 8.33 4.51 4.69 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 1.44 0.00 0.00 48 I 8.13 3.82 1.87 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.62 0.67 0.00 0.00 49 G 7.79 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.72 4.32 0.00 2.72 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 51 F 8.11 4.97 0.00 2.97 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 52 K 8.27 3.95 0.00 1.76 1.80 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.42 7.81 53 R 7.98 3.99 0.00 1.83 2.00 0.00 3.31 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 54 L 7.88 4.20 0.00 1.87 1.78 1.00 1.06 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 55 G 7.62 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 56 D 8.37 4.55 0.00 2.75 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.96 3.89 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 0.80 0.00 0.00 0.69 0.00 0.00 58 S 7.95 4.30 0.00 4.06 3.99 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 59 Q 7.98 4.12 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.12 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 60 G 8.47 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 61 M 9.19 3.86 0.00 1.96 2.13 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.62 0.00 62 A 7.92 3.99 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 N 8.26 4.57 0.00 2.82 2.93 0.00 0.00 7.01 8.54 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 64 D 8.77 4.43 0.00 2.74 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 65 K 7.99 4.04 0.00 1.84 1.91 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.52 7.81 66 L 7.89 4.08 0.00 1.77 1.85 1.06 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.71 4.00 0.00 2.14 2.06 0.00 3.16 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 68 G 8.56 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 69 H 8.43 4.26 0.00 3.39 3.55 0.00 5.80 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 70 S 8.25 4.05 0.00 4.04 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 71 I 7.85 3.86 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.25 1.15 0.00 0.00 72 T 7.84 4.10 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 1.29 0.00 0.00 73 L 8.20 4.07 0.00 1.71 1.87 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 74 M 7.97 4.28 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.93 0.00 75 Y 7.95 4.14 0.00 3.25 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 76 A 7.85 3.84 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 77 L 7.48 3.55 0.00 1.54 1.17 1.04 1.11 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 78 Q 7.88 3.48 0.00 2.46 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 79 N 7.35 4.17 0.00 2.80 2.60 0.00 0.00 7.28 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 7.34 4.51 0.00 2.97 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 81 I 7.67 3.49 1.50 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 -0.32 0.79 0.00 0.00 82 D 7.88 4.40 0.00 2.80 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 83 Q 7.57 4.44 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.73 2.55 0.00 84 L 7.37 3.91 0.00 1.54 1.66 0.75 0.79 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 D 7.93 4.53 0.00 2.65 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 86 N 7.88 4.83 0.00 2.73 2.64 0.00 0.00 7.06 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 87 P 0.00 4.19 0.00 2.29 2.19 0.00 3.67 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 2.21 0.00 88 D 8.21 4.47 0.00 2.93 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 89 D 8.21 4.37 0.00 2.82 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 90 L 7.93 3.89 0.00 1.88 1.69 0.74 0.47 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 91 V 7.66 3.30 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 0.51 0.00 0.00 0.01 0.00 0.00 92 C 7.89 4.16 0.00 3.23 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 7.92 3.72 2.36 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 1.28 0.00 0.00 1.07 0.00 0.00 94 V 7.87 3.53 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 0.68 0.00 0.00 0.40 0.00 0.00 95 E 8.28 4.00 0.00 2.05 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 2.27 2.47 0.00 96 K 7.87 4.02 0.00 1.84 2.17 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.58 7.81 97 F 8.50 4.30 0.00 3.41 3.40 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 98 A 8.37 3.78 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 99 V 7.38 3.50 2.17 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 1.01 0.00 0.00 1.04 0.00 0.00 100 N 7.98 4.35 0.00 2.61 2.72 0.00 0.00 7.02 8.16 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 0.00 101 H 7.57 4.19 0.00 3.27 3.33 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.14 3.76 2.01 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 1.50 0.88 0.90 0.00 0.00 103 T 7.62 3.92 4.37 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 1.19 0.00 0.00 104 R 7.49 4.18 0.00 1.82 1.94 0.00 3.11 0.00 0.00 3.10 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.90 0.00 105 K 7.90 3.81 0.00 2.01 1.98 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.57 7.81 106 I 7.53 4.12 2.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.49 0.94 0.00 0.00 107 S 8.36 4.41 0.00 4.09 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 0.00 108 A 8.52 4.03 1.40 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 0.00 109 A 7.92 3.99 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 0.00 110 E 8.12 4.09 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 111 F 8.64 4.16 0.00 3.34 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 0.00 112 G 8.36 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 0.00 0.00 0.00 113 K 7.69 4.24 0.00 1.87 1.90 0.00 1.92 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.74 7.81 114 I 7.61 3.86 1.52 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.11 0.75 0.00 0.00 115 N 8.19 4.45 0.00 2.98 2.88 0.00 0.00 6.72 7.74 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 0.00 116 G 8.03 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 0.00 117 P 0.00 4.23 0.00 2.06 2.15 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 118 I 7.64 3.50 1.96 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 1.21 0.78 0.60 0.00 0.00 119 K 8.20 3.91 0.00 1.90 1.99 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.53 7.81 120 K 8.12 3.98 0.00 1.97 1.81 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.60 7.81 121 V 8.03 3.54 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 0.90 0.00 0.00 0.90 0.00 0.00 122 L 8.15 3.91 0.00 1.90 1.81 0.85 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.16 4.04 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 0.00 124 S 7.94 4.14 0.00 4.02 3.99 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 0.00 125 K 7.19 4.32 0.00 2.17 1.93 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.62 7.81 126 N 8.10 4.12 0.00 2.58 2.78 0.00 0.00 6.78 6.96 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 0.00 127 F 8.06 4.49 0.00 3.01 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 0.00 128 G 8.66 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.82 4.52 0.00 2.74 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 0.00 130 K 8.20 3.81 0.00 1.77 1.65 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.10 1.40 7.81 131 Y 8.16 4.19 0.00 3.44 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 A 8.15 4.21 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.76 4.38 0.00 2.88 2.89 0.00 0.00 6.89 6.83 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 0.00 134 A 7.73 3.94 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 0.00 135 W 8.49 3.90 0.00 3.60 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 0.00 136 A 8.18 4.13 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 7.59 3.98 0.00 1.83 1.81 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.63 7.81 138 L 7.46 3.90 0.00 1.45 1.70 0.61 0.37 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 0.00 139 V 8.09 3.71 2.33 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 1.29 0.00 0.00 1.19 0.00 0.00 140 A 7.81 4.43 1.40 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 0.00 141 V 7.32 3.41 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 0.57 0.00 0.00 0.80 0.00 0.00 142 V 7.30 3.43 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 0.40 0.00 0.00 0.37 0.00 0.00 143 Q 8.30 3.87 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.62 2.72 0.00 144 A 7.77 4.05 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 0.00 145 A 7.63 4.32 1.22 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 0.00 146 L 7.38 4.16 0.00 1.73 1.54 0.62 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00