NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3273 8.4045 120.3427 54.6949 33.4357 175.4165 2 D 4.2089 8.4003 120.3552 52.0151 40.1214 173.6809 3 K 4.0838 9.2824 127.0412 55.9187 34.0031 175.9644 4 K 4.4319 8.1100 125.9697 55.2325 35.1547 175.1226 5 T 5.3063 9.2526 117.4309 62.0307 72.0186 173.2889 6 I 4.9285 9.1715 126.3929 59.2372 41.2772 173.4008 7 Y 5.2907 8.6079 129.8772 55.9793 41.4124 174.0562 8 F 4.9441 9.4727 127.3565 56.6928 40.6339 175.0632 9 I 4.9071 8.8477 124.9958 59.6823 40.4786 174.8624 10 S 4.9109 8.6464 120.2383 57.0323 66.1630 174.0705 11 T 3.8420 8.9024 115.7261 66.3129 69.0033 174.5763 12 G 4.9326 7.9160 106.5955 43.6071 0.0000 171.2258 13 N 5.6121 8.4307 113.4050 52.3739 39.2602 174.3044 14 S 4.6703 8.0583 113.7526 58.9445 64.2897 173.3743 15 A 4.7178 7.0433 120.1786 52.1163 21.7721 177.5570 16 R 3.8564 8.2311 112.3386 59.0494 30.6769 179.4467 17 S 4.1246 8.0243 113.0640 61.4880 62.9944 176.3504 18 Q 4.0683 7.9806 121.2351 59.0748 28.5289 178.2677 19 M 3.9243 8.4321 119.9472 58.0821 31.9504 178.6779 20 A 3.6780 7.9316 121.1192 54.8855 18.3888 179.2926 21 E 4.0940 8.2120 117.9840 59.2292 29.5826 179.2648 22 G 3.4984 8.1923 105.7714 47.7148 0.0000 175.7426 23 W 4.5418 8.3635 122.6382 59.1679 29.0635 178.7764 24 G 3.8597 8.7256 106.1241 48.0969 0.0000 175.8996 25 K 4.2097 8.2897 121.2448 58.8488 31.7578 179.2351 26 E 4.0209 7.8965 119.1280 59.2771 29.7503 178.3731 27 I 4.1677 8.3582 118.6662 63.1641 38.0002 177.2905 28 L 4.8725 8.4694 117.6498 54.1319 41.8689 178.2436 29 G 4.0306 7.7992 108.7036 48.9892 0.0000 175.1063 30 E 4.1177 8.6052 118.2974 58.8098 29.7405 177.8450 31 G 4.1826 8.3275 102.7635 45.5576 0.0000 172.5730 32 W 5.8238 8.3639 118.7838 54.9216 33.5077 174.3505 33 N 4.8282 9.8003 121.6550 52.3280 39.8617 174.2206 34 V 4.8756 8.0157 122.7636 61.3915 34.0692 173.9990 35 Y 5.0887 8.9730 124.2441 56.4694 42.5870 174.1926 36 S 5.6110 8.8271 113.6426 57.6639 66.6259 172.5578 37 A 4.9281 9.0010 121.7590 51.4558 22.7099 175.1664 38 G 4.4415 8.8801 105.5442 44.3900 0.0000 174.2512 39 I 4.0189 8.4426 121.5307 63.3568 37.9165 176.1432 40 E 4.9409 8.6780 120.5190 54.4578 34.0882 175.2775 41 T 4.8762 8.2198 110.1929 60.5651 71.4422 174.4653 42 H 4.9414 8.4442 125.3081 54.5525 29.8669 171.4145 43 G 3.9808 8.1244 112.3544 44.4205 0.0000 173.4008 44 V 3.7374 8.1587 120.7061 61.9260 32.3457 175.3915 45 N 4.4914 8.9417 126.7375 52.8527 39.3398 173.7267 46 P 4.2429 0.0000 0.0000 65.7942 31.2815 178.6877 47 K 3.9092 8.6178 117.2612 58.8745 31.7452 179.2781 48 A 4.1867 8.0854 121.5544 55.0414 18.2652 179.7108 49 I 3.5836 7.6690 117.9289 64.5378 37.2885 178.1292 50 E 3.9117 8.3887 119.9534 59.1117 28.1693 178.5634 51 A 4.2612 8.5372 121.0865 55.7164 18.3948 179.5928 52 M 4.0782 8.0998 117.1373 58.0924 32.0172 178.8276 53 K 3.9291 8.1674 120.0452 59.4836 32.0954 178.3995 54 E 4.1001 8.3018 118.7034 58.3141 29.4910 178.1142 55 V 4.3771 6.8140 111.2098 60.4721 33.0113 175.0927 56 D 4.3982 8.0548 115.8090 55.6404 38.7956 173.9368 57 I 4.2362 7.7352 118.9882 59.3904 39.4819 174.9440 58 D 4.6004 8.6194 125.7355 53.0470 41.4879 175.4118 59 I 4.2150 7.9159 119.4941 60.3983 37.9108 177.5482 60 S 4.1075 8.6052 119.9785 61.7953 62.7631 175.2624 61 N 4.7437 7.9039 116.0366 52.4060 37.9020 179.9836 62 H 4.6446 7.9426 115.3441 56.8161 29.4390 174.6560 63 T 4.6416 8.1436 110.4442 59.8639 71.4162 173.2402 64 S 4.8885 8.5244 117.5404 57.3357 63.2337 172.8287 65 D 5.1052 9.7789 126.8790 52.4339 45.0986 175.7208 66 L 5.0432 8.3124 120.7400 52.9269 43.4664 176.7058 67 I 3.7021 8.1768 121.1982 61.6437 37.4865 175.9653 68 D 4.7340 9.3193 125.3803 52.8615 42.1060 176.5721 69 N 4.3234 8.7784 126.0525 56.8679 38.7610 176.2961 70 D 4.3107 8.0835 119.5425 57.4343 41.2437 178.5568 71 I 3.5532 7.4849 119.7364 63.9229 37.1005 177.8273 72 L 4.2286 8.4347 124.0918 59.1238 41.7549 180.0515 73 K 4.1064 8.2651 121.9497 59.0079 31.6352 179.8611 74 Q 4.6185 7.3491 114.0138 55.3623 29.4238 175.9249 75 S 4.4945 7.4134 117.0761 58.4867 63.9800 173.9458 76 D 4.7264 9.0552 123.6769 56.2882 42.3820 176.5263 77 L 5.2021 7.9158 119.4155 53.3941 45.9533 174.9059 78 V 4.6154 8.9794 126.3330 61.0044 34.1498 174.1582 79 V 4.4442 8.1776 128.0951 61.1040 33.2537 174.2118 80 T 4.8744 8.6169 119.0871 60.9114 70.7414 175.2076 81 L 5.7506 9.3047 123.5405 54.1400 43.3993 176.0699 82 S 5.0068 7.8155 113.2072 55.5442 66.2017 175.1514 83 S 4.0557 8.7261 116.6500 61.6833 62.6495 176.2988 84 D 4.3297 8.0985 121.8226 57.1156 40.6102 178.4428 85 A 3.9714 8.0016 121.2508 55.0231 18.1511 179.0814 86 D 4.2156 7.9018 115.5966 57.7692 41.3773 178.0550 87 N 4.5055 8.3663 115.9184 55.6516 38.7473 176.3768 88 N 4.6421 8.2634 115.6225 52.4889 39.4241 175.1049 89 C 4.1433 7.4089 122.0294 58.4354 32.1919 171.6380 90 P 4.3832 0.0000 0.0000 62.2195 31.5853 176.2245 91 I 3.7432 8.1500 121.8573 61.6296 37.3604 175.8724 92 L 4.4087 8.2834 125.7004 52.8743 42.8331 175.1350 93 P 4.4388 0.0000 0.0000 61.9273 31.9083 175.5452 94 P 4.2439 0.0000 0.0000 65.5702 31.2592 177.2832 95 N 4.5611 8.0998 112.9906 53.4830 37.9095 174.5465 96 V 4.5180 7.7297 120.1423 61.3190 33.2185 175.2586 97 K 4.6173 8.8210 127.1641 55.3638 34.2928 175.5327 98 K 5.1000 8.4345 122.6522 54.9298 35.1736 175.1243 99 E 4.8861 9.2334 125.4824 54.8444 34.3552 173.8176 100 H 5.2048 8.9047 121.5056 53.6328 32.1232 173.5835 101 W 4.6946 9.1180 126.6963 54.6629 30.8583 174.7696 102 G 4.0788 8.0886 111.5472 45.8377 0.0000 170.7571 103 F 5.0422 8.5429 120.3145 55.2744 43.2478 174.7023 104 D 4.4245 8.8232 121.1525 54.2967 41.3222 175.8238 105 D 4.5294 8.4233 122.1899 52.9383 41.3104 174.5886 106 P 4.0599 0.0000 0.0000 63.1637 31.8584 175.9879 107 A 4.1532 7.9448 123.0899 54.2368 18.4212 178.1277 108 G 3.9693 9.1393 110.1450 45.6912 0.0000 173.4327 109 K 4.5119 8.0125 119.4895 54.2595 34.0628 176.0402 110 E 4.3451 8.4292 117.6069 55.8349 30.4879 177.5214 111 W 4.7963 9.3212 130.0087 61.2893 30.4687 178.3962 112 S 3.9400 8.2616 112.9220 61.1553 62.2834 176.0243 113 E 3.9253 8.4100 122.5170 59.0321 29.1436 179.0605 114 F 3.8438 8.1808 118.2161 60.3337 38.9489 177.7704 115 Q 3.7301 7.4426 117.2706 58.6526 28.5385 178.4971 116 R 3.8025 8.0593 119.9894 59.5849 30.1905 178.8242 117 V 3.6013 7.8099 118.0057 65.6675 31.4271 177.7801 118 R 3.9621 8.0596 118.6740 59.8406 29.9913 178.3163 119 D 4.3514 8.2460 118.1347 56.9171 40.7775 178.6711 120 E 4.0153 8.1168 119.6194 59.3500 29.4883 179.2954 121 I 3.2634 7.6174 119.9628 63.7198 36.9950 178.2705 122 K 2.7323 7.3801 120.5035 59.0971 31.7963 178.7374 123 L 4.0224 7.8147 120.1234 57.1860 41.5456 179.4171 124 A 3.7357 7.8940 120.5868 55.1924 18.2969 179.8206 125 I 3.9645 7.7968 118.3158 64.4702 36.8266 178.4921 126 E 3.9645 8.2348 119.6605 59.2485 29.3583 179.3501 127 K 3.9535 8.1392 119.7531 59.2997 32.2313 178.5573 128 F 4.1147 8.2504 121.0391 61.3012 39.1014 177.0293 129 K 3.9024 8.0254 117.9580 59.1483 32.0383 177.9234 130 L 4.2372 7.4101 116.6492 55.4861 41.7783 177.0800 131 R 4.0344 7.5742 123.5769 56.4362 29.9352 176.3237 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 8.40 4.33 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 2 D 8.40 4.21 0.00 2.82 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 3 K 9.28 4.08 0.00 1.70 1.69 0.00 1.83 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.51 7.81 4 K 8.11 4.43 0.00 0.79 0.94 0.00 0.88 0.00 0.00 1.27 0.00 0.00 2.68 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.02 0.86 7.81 5 T 9.25 5.31 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 1.34 0.00 0.00 6 I 9.17 4.93 1.46 0.00 0.00 -0.29 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 0.98 0.82 0.00 0.00 7 Y 8.61 5.29 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 8 F 9.47 4.94 0.00 3.10 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.85 4.91 1.73 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.48 0.82 0.00 0.00 10 S 8.65 4.91 0.00 3.90 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 11 T 8.90 3.84 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 1.22 0.00 0.00 12 G 7.92 4.93 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 13 N 8.43 5.61 0.00 2.76 2.77 0.00 0.00 7.12 7.63 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 14 S 8.06 4.67 0.00 3.98 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 15 A 7.04 4.72 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 16 R 8.23 3.86 0.00 1.87 1.99 0.00 3.25 0.00 0.00 3.67 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 17 S 8.02 4.12 0.00 4.11 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 0.00 18 Q 7.98 4.07 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.95 0.00 0.00 0.00 0.00 0.00 2.55 2.43 0.00 19 M 8.43 3.92 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.50 0.00 20 A 7.93 3.68 0.36 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 21 E 8.21 4.09 0.00 2.14 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 0.00 2.24 2.32 0.00 22 G 8.19 3.50 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 0.00 23 W 8.36 4.54 0.00 3.25 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 24 G 8.73 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 0.00 0.00 0.00 25 K 8.29 4.21 0.00 1.85 1.90 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.76 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.63 7.81 26 E 7.90 4.02 0.00 1.94 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 2.47 2.55 0.00 27 I 8.36 4.17 2.08 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 1.63 1.01 0.98 0.00 0.00 28 L 8.47 4.87 0.00 1.86 1.79 0.80 0.97 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 29 G 7.80 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 30 E 8.61 4.12 0.00 2.32 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 0.00 2.31 1.88 0.00 31 G 8.33 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 W 8.36 5.82 0.00 3.34 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 33 N 9.80 4.83 0.00 2.82 2.84 0.00 0.00 6.33 8.29 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 34 V 8.02 4.88 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 1.04 0.00 0.00 1.09 0.00 0.00 35 Y 8.97 5.09 0.00 2.53 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 36 S 8.83 5.61 0.00 4.02 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 37 A 9.00 4.93 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 38 G 8.88 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.44 4.02 1.98 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 1.39 0.82 0.89 0.00 0.00 40 E 8.68 4.94 0.00 1.89 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 0.00 2.17 2.19 0.00 41 T 8.22 4.88 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 1.25 0.00 0.00 42 H 8.44 4.94 0.00 3.12 3.24 0.00 5.85 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 43 G 8.12 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 44 V 8.16 3.74 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 0.81 0.00 0.00 0.97 0.00 0.00 45 N 8.94 4.49 0.00 2.89 2.89 0.00 0.00 6.81 7.34 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 46 P 0.00 4.24 0.00 2.12 2.04 0.00 3.62 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 47 K 8.62 3.91 0.00 0.79 0.95 0.00 1.24 0.00 0.00 1.23 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.17 1.18 7.81 48 A 8.09 4.19 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 49 I 7.67 3.58 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.71 0.86 0.00 0.00 50 E 8.39 3.91 0.00 1.98 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 0.00 1.85 2.27 0.00 51 A 8.54 4.26 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 52 M 8.10 4.08 0.00 1.82 1.96 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.76 0.00 53 K 8.17 3.93 0.00 1.89 1.97 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.42 7.81 54 E 8.30 4.10 0.00 2.30 2.29 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 2.42 2.47 0.00 55 V 6.81 4.38 2.21 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 0.99 0.00 0.00 0.64 0.00 0.00 56 D 8.05 4.40 0.00 2.83 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 57 I 7.74 4.24 1.55 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.52 0.63 0.00 0.00 58 D 8.62 4.60 0.00 2.56 2.54 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 0.00 0.00 0.00 0.00 59 I 7.92 4.22 1.23 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 1.32 0.57 0.67 0.00 0.00 60 S 8.61 4.11 0.00 3.96 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 61 N 7.90 4.74 0.00 2.76 2.74 0.00 0.00 6.73 7.90 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 62 H 7.94 4.64 0.00 3.20 3.36 0.00 5.58 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.14 4.64 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 64 S 8.52 4.89 0.00 3.94 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 65 D 9.78 5.11 0.00 2.63 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 66 L 8.31 5.04 0.00 1.55 1.62 0.92 0.95 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 67 I 8.18 3.70 1.83 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 1.02 0.36 0.87 0.00 0.00 68 D 9.32 4.73 0.00 2.75 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 69 N 8.78 4.32 0.00 2.83 2.80 0.00 0.00 7.17 8.49 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 70 D 8.08 4.31 0.00 2.74 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 7.48 3.55 1.53 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.84 -0.33 0.00 0.00 72 L 8.43 4.23 0.00 2.04 1.92 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.27 4.11 0.00 1.87 1.72 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.36 7.81 74 Q 7.35 4.62 0.00 1.92 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 75 S 7.41 4.49 0.00 4.08 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 76 D 9.06 4.73 0.00 2.93 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 77 L 7.92 5.20 0.00 1.90 1.55 0.98 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.98 4.62 2.01 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 0.82 0.00 0.00 0.94 0.00 0.00 79 V 8.18 4.44 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 -0.25 0.00 0.00 -0.25 0.00 0.00 80 T 8.62 4.87 4.33 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 1.15 0.00 0.00 81 L 9.30 5.75 0.00 1.70 1.94 0.92 1.13 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 82 S 7.82 5.01 0.00 3.98 3.96 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 83 S 8.73 4.06 0.00 4.04 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 0.00 84 D 8.10 4.33 0.00 2.71 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 85 A 8.00 3.97 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 86 D 7.90 4.22 0.00 2.65 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 87 N 8.37 4.51 0.00 2.68 2.84 0.00 0.00 7.08 7.60 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 88 N 8.26 4.64 0.00 2.75 2.83 0.00 0.00 6.97 7.24 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 89 C 7.41 4.14 0.00 3.09 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 90 P 0.00 4.38 0.00 2.05 1.95 0.00 3.68 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 91 I 8.15 3.74 1.86 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 1.41 0.33 0.91 0.00 0.00 92 L 8.28 4.41 0.00 1.63 1.59 0.90 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.44 0.00 2.33 1.98 0.00 3.62 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 2.11 2.11 0.00 94 P 0.00 4.24 0.00 2.04 2.15 0.00 3.67 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 2.04 2.10 0.00 95 N 8.10 4.56 0.00 2.84 2.94 0.00 0.00 5.83 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 96 V 7.73 4.52 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 0.86 0.00 0.00 1.03 0.00 0.00 97 K 8.82 4.62 0.00 1.97 1.76 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.46 1.43 7.81 98 K 8.43 5.10 0.00 1.68 1.62 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.39 7.81 99 E 9.23 4.89 0.00 1.80 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 2.36 2.32 0.00 100 H 8.90 5.20 0.00 3.11 3.25 0.00 5.68 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 W 9.12 4.69 0.00 3.35 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 0.00 102 G 8.09 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 0.00 0.00 0.00 103 F 8.54 5.04 0.00 2.92 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 0.00 104 D 8.82 4.42 0.00 2.66 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.42 4.53 0.00 2.63 2.57 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 0.00 0.00 0.00 0.00 106 P 0.00 4.06 0.00 0.49 1.65 0.00 3.63 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 1.58 1.52 0.00 107 A 7.94 4.15 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 0.00 108 G 9.14 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 0.00 109 K 8.01 4.51 0.00 1.85 1.80 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.66 1.46 7.81 110 E 8.43 4.35 0.00 2.28 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 0.00 2.43 2.39 0.00 111 W 9.32 4.80 0.00 3.37 3.21 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 0.00 112 S 8.26 3.94 0.00 4.03 4.12 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 0.00 113 E 8.41 3.93 0.00 2.16 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 2.33 2.48 0.00 114 F 8.18 3.84 0.00 3.01 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 0.00 115 Q 7.44 3.73 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.91 0.00 0.00 0.00 0.00 0.00 1.89 1.16 0.00 116 R 8.06 3.80 0.00 1.86 2.00 0.00 3.08 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 117 V 7.81 3.60 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 0.83 0.00 0.00 0.94 0.00 0.00 118 R 8.06 3.96 0.00 2.07 2.20 0.00 3.26 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.85 0.00 119 D 8.25 4.35 0.00 2.70 2.63 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 0.00 120 E 8.12 4.02 0.00 2.28 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 2.36 2.60 0.00 121 I 7.62 3.26 1.82 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.07 0.70 0.00 0.00 122 K 7.38 2.73 0.00 0.79 1.28 0.00 0.72 0.00 0.00 1.22 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.92 0.21 7.81 123 L 7.81 4.02 0.00 1.82 1.59 0.85 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 124 A 7.89 3.74 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 0.00 125 I 7.80 3.96 1.84 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 1.91 1.07 1.07 0.00 0.00 126 E 8.23 3.96 0.00 2.04 1.92 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 2.22 2.34 0.00 127 K 8.14 3.95 0.00 1.71 1.80 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.36 7.81 128 F 8.25 4.11 0.00 3.28 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 0.00 129 K 8.03 3.90 0.00 1.89 2.03 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.56 7.81 130 L 7.41 4.24 0.00 1.79 1.66 0.89 0.82 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 0.00 131 R 7.57 4.03 0.00 1.62 1.76 0.00 2.96 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00