NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2520 8.1633 120.2338 55.0566 32.0897 175.7981 2 D 4.2971 8.5637 124.3383 55.4977 41.2038 175.9529 3 A 4.4805 8.0404 120.4468 51.4639 20.4146 176.2304 4 V 4.1269 7.2170 117.5608 61.3872 31.9125 176.1893 5 A 4.0227 8.3908 131.3817 54.9562 18.6878 178.6981 6 V 4.3916 7.7012 107.5570 61.2663 32.9512 174.8808 7 Y 5.0423 8.1777 124.4960 57.2128 39.5494 175.2834 8 H 4.3763 8.9823 123.5076 54.7612 29.5370 177.4120 9 G 3.6364 5.7427 106.4473 45.8614 0.0000 174.6889 10 K 4.6697 8.5261 117.0378 55.4726 32.5866 177.4026 11 I 3.9729 7.3881 110.6268 60.3222 38.8324 176.4749 12 S 4.4748 8.3033 117.9729 57.9946 64.7190 175.3198 13 R 3.8854 9.0489 124.6178 60.2255 29.7510 178.9068 14 E 4.2140 8.0166 118.6830 58.9254 29.4418 179.2964 15 T 3.9351 7.9284 115.6838 66.5703 68.6168 176.6002 16 G 3.5795 8.1658 107.5707 47.7631 0.0000 175.3675 17 E 3.9718 8.3389 121.1507 59.3437 29.5266 179.7994 18 K 4.0869 8.1630 118.2956 59.2949 31.8367 179.4673 19 L 3.9746 7.8415 118.6185 57.7272 41.9426 179.3333 20 L 4.1513 8.0180 118.8631 57.8493 41.6555 179.5025 21 L 4.0093 8.3434 119.0705 57.7073 41.2516 179.4520 22 A 4.0465 7.8471 120.3472 55.1725 17.2704 179.4533 23 T 3.9961 8.0146 108.3245 62.7283 68.6240 176.3709 24 G 3.8034 7.7806 107.4544 45.6032 0.0000 172.7091 25 L 4.6540 7.1642 120.3532 52.1996 43.4582 175.9913 26 D 4.9151 8.7107 124.2355 56.0790 41.4335 177.0180 27 G 4.1198 9.5384 111.9396 45.1755 0.0000 173.4612 28 S 5.6331 8.5100 116.5415 58.6994 64.1238 172.8827 29 Y 5.5590 8.1721 119.4414 56.3426 41.3661 172.9818 30 L 5.0461 9.0028 119.9872 54.8895 44.8566 174.0430 31 L 5.6264 9.2140 119.1452 53.1431 45.0231 176.2331 32 R 5.1862 8.8851 117.9364 54.5141 33.7988 174.0034 33 D 4.7739 9.0703 119.5597 54.0759 42.0019 176.3244 34 S 4.3734 8.6237 117.2014 58.8677 62.6935 174.2481 35 E 4.3351 8.9625 124.4596 57.1249 29.9514 177.1503 36 S 4.5865 8.2184 112.9496 58.4654 65.2760 174.8251 37 V 4.3189 7.3712 120.0489 59.9177 33.8373 172.4210 38 P 4.3123 0.0000 0.0000 64.1776 31.5894 176.6133 39 G 3.8158 8.6473 109.2911 45.9204 0.0000 173.1911 40 V 4.5027 7.2140 119.1717 61.5421 34.0632 174.2117 41 Y 5.3140 9.2604 122.1487 56.4018 42.6173 174.2301 42 C 5.3260 9.4142 118.3965 58.0425 31.5712 173.2375 43 L 4.6774 9.2505 127.6915 54.5384 43.0429 174.9630 44 C 5.2996 9.3465 125.6382 58.0740 30.6528 173.2337 45 V 5.0734 9.0066 124.2868 60.9157 34.2549 174.1120 46 L 4.9316 9.1433 130.8937 55.0826 43.6620 175.1122 47 Y 5.0585 9.5900 127.4988 57.2062 42.3026 174.3898 48 H 3.6910 9.9672 126.6808 57.0514 26.7995 176.0542 49 G 3.9223 8.4592 104.5968 45.7699 0.0000 172.9561 50 Y 4.3981 8.0455 117.0091 55.9881 40.7637 174.9395 51 I 4.8200 7.9723 123.1062 59.9198 38.3352 174.6050 52 Y 4.0574 9.3254 126.6288 57.8189 38.9270 175.0173 53 T 4.9994 8.2224 120.9806 61.9152 71.4840 172.9456 54 Y 4.6040 9.0255 125.0731 56.0373 40.4627 175.4642 55 R 4.7212 8.6856 124.1230 56.0288 31.8214 175.6460 56 V 5.0873 9.3778 123.7058 61.3774 34.5964 174.4675 57 S 5.2905 9.3876 122.7496 56.9231 67.2901 172.5669 58 Q 4.4234 8.4195 123.1810 54.5822 30.5715 175.1640 59 T 4.5398 8.5031 116.6160 60.1197 71.0911 175.3253 60 E 4.0215 8.7229 119.0223 58.2112 29.7590 177.5648 61 T 4.0864 7.5959 108.9320 61.9189 69.3516 175.7731 62 G 3.8380 8.1649 111.8027 44.9504 0.0000 173.8436 63 S 4.8012 7.3810 113.3861 57.7154 65.1113 173.1295 64 W 5.5359 9.4614 120.6195 55.2811 32.4145 175.0065 65 S 5.1427 9.2819 116.2635 57.2821 66.2219 172.7399 66 A 5.2334 8.4975 122.4411 50.0829 20.9652 176.5605 67 E 4.0222 8.9512 122.0028 57.1581 30.0546 176.7054 68 T 4.6860 8.3927 122.2067 61.1502 72.3064 173.7745 69 A 4.1850 8.3859 127.1887 51.3447 19.1543 175.4250 70 P 4.4204 0.0000 0.0000 64.2099 31.7683 177.4556 71 G 3.9781 8.9381 110.5673 45.3583 0.0000 173.5912 72 V 3.9078 7.2529 119.3671 61.6840 32.3165 174.9097 73 H 4.1502 8.7553 126.1912 56.2806 29.7334 174.4714 74 K 4.1314 8.4168 128.7363 55.7847 32.8831 175.8642 75 R 4.3830 8.1682 124.6412 54.5221 31.9169 175.1173 76 Y 4.8052 7.9592 119.0187 56.0425 40.8905 175.1297 77 F 5.0558 9.0051 121.9149 55.5548 42.3309 176.8407 78 R 4.1985 8.9576 123.2513 58.7999 30.5688 177.2735 79 K 4.9023 7.8650 114.9305 53.5581 36.4399 176.9676 80 I 3.2618 7.9567 122.6415 64.3968 36.7823 178.8795 81 K 3.8486 7.8139 118.9315 60.0094 32.3493 178.8347 82 N 4.2663 7.9935 117.5591 55.6835 38.4176 177.1409 83 L 2.4400 7.4792 121.3647 57.5814 42.1902 178.8856 84 I 3.5036 7.6286 119.7936 64.5310 36.8391 178.4822 85 S 4.2945 8.0980 115.7825 60.9564 62.9734 176.4246 86 A 3.9227 7.6588 123.2295 54.8067 18.0895 178.8143 87 F 4.4537 7.5716 113.8652 58.1262 38.7056 177.6355 88 Q 4.1832 7.5796 120.2257 56.5252 28.5518 176.3246 89 K 4.1738 6.8648 118.5633 54.7076 33.0367 175.1548 90 P 4.1737 0.0000 0.0000 63.7810 32.3173 175.8469 91 D 4.2818 8.4628 118.6985 56.0746 38.8251 173.6085 92 Q 4.4252 8.1260 114.2381 55.7960 30.0920 177.1062 93 G 3.9666 8.6037 106.3625 45.0512 0.0000 173.0497 94 I 4.3567 7.0478 112.1265 58.0952 40.0838 176.0106 95 V 3.4115 7.9641 120.0459 64.3529 31.1518 176.5013 96 I 4.3046 6.8602 116.9982 58.5235 40.6686 172.1762 97 P 4.3956 0.0000 0.0000 62.1559 32.0733 176.2918 98 L 3.8133 8.3771 121.4954 55.4414 41.5057 177.3978 99 Q 4.1227 9.1035 122.6976 56.4197 31.9359 175.5317 100 Y 4.9493 7.9327 116.9905 54.7779 39.4699 172.5196 101 P 3.6630 0.0000 0.0000 62.4090 32.3192 176.5451 102 V 4.0756 8.2108 124.1285 61.4993 32.1355 174.3003 103 E 4.5441 8.5283 127.9586 54.9318 30.5726 177.2452 104 K 3.8514 8.3585 122.1774 57.2628 32.4117 176.6165 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 8.16 4.25 0.00 1.67 1.51 0.00 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.84 0.00 2 D 8.56 4.30 0.00 2.76 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 3 A 8.04 4.48 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 4 V 7.22 4.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.72 0.00 0.00 5 A 8.39 4.02 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 6 V 7.70 4.39 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 0.73 0.00 0.00 1.02 0.00 0.00 7 Y 8.18 5.04 0.00 3.01 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 8 H 8.98 4.38 0.00 2.89 3.19 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 5.74 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.53 4.67 0.00 1.83 1.79 0.00 1.61 0.00 0.00 2.42 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.38 7.81 11 I 7.39 3.97 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.68 0.88 0.00 0.00 12 S 8.30 4.47 0.00 3.87 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 13 R 9.05 3.89 0.00 2.02 1.94 0.00 3.07 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 14 E 8.02 4.21 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 15 T 7.93 3.94 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 16 G 8.17 3.58 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 0.00 0.00 0.00 17 E 8.34 3.97 0.00 2.17 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 2.29 2.51 0.00 18 K 8.16 4.09 0.00 1.86 1.83 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.59 7.81 19 L 7.84 3.97 0.00 1.69 1.66 0.81 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.02 4.15 0.00 1.85 1.75 1.02 0.45 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 21 L 8.34 4.01 0.00 1.62 1.68 0.87 0.78 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 22 A 7.85 4.05 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 23 T 8.01 4.00 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 1.24 0.00 0.00 24 G 7.78 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.16 4.65 0.00 1.79 1.48 0.13 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.71 4.92 0.00 2.84 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 27 G 9.54 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 0.00 0.00 0.00 28 S 8.51 5.63 0.00 3.94 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 29 Y 8.17 5.56 0.00 3.21 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 30 L 9.00 5.05 0.00 1.95 1.72 0.92 0.22 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 31 L 9.21 5.63 0.00 1.75 1.84 0.86 0.86 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 32 R 8.89 5.19 0.00 2.00 1.99 0.00 2.94 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 33 D 9.07 4.77 0.00 2.68 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 34 S 8.62 4.37 0.00 3.86 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 35 E 8.96 4.34 0.00 1.99 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 2.28 2.29 0.00 36 S 8.22 4.59 0.00 3.93 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 37 V 7.37 4.32 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 1.03 0.00 0.00 0.94 0.00 0.00 38 P 0.00 4.31 0.00 2.07 1.97 0.00 3.82 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 39 G 8.65 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 40 V 7.21 4.50 2.23 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 1.18 0.00 0.00 0.97 0.00 0.00 41 Y 9.26 5.31 0.00 3.18 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 C 9.41 5.33 0.00 2.88 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 43 L 9.25 4.68 0.00 1.80 1.80 1.03 0.37 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 44 C 9.35 5.30 0.00 2.96 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 45 V 9.01 5.07 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 1.15 0.00 0.00 1.06 0.00 0.00 46 L 9.14 4.93 0.00 1.93 1.67 1.01 0.96 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 47 Y 9.59 5.06 0.00 2.98 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 48 H 9.97 3.69 0.00 3.10 3.26 0.00 5.78 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 49 G 8.46 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 50 Y 8.05 4.40 0.00 3.13 2.60 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 0.00 0.00 0.00 0.00 51 I 7.97 4.82 1.86 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 1.36 0.50 0.96 0.00 0.00 52 Y 9.33 4.06 0.00 3.10 2.87 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 53 T 8.22 5.00 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 1.22 0.00 0.00 54 Y 9.03 4.60 0.00 2.86 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 55 R 8.69 4.72 0.00 1.83 1.93 0.00 3.28 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 56 V 9.38 5.09 2.28 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 1.32 0.00 0.00 1.07 0.00 0.00 57 S 9.39 5.29 0.00 3.86 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 58 Q 8.42 4.42 0.00 0.93 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.91 0.00 0.00 0.00 0.00 0.00 1.70 1.30 0.00 59 T 8.50 4.54 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 60 E 8.72 4.02 0.00 2.05 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 2.21 2.24 0.00 61 T 7.60 4.09 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 62 G 8.16 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 63 S 7.38 4.80 0.00 4.21 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 64 W 9.46 5.54 0.00 3.42 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 9.28 5.14 0.00 3.60 3.47 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 66 A 8.50 5.23 1.20 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 67 E 8.95 4.02 0.00 2.03 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 2.37 2.35 0.00 68 T 8.39 4.69 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 1.23 0.00 0.00 69 A 8.39 4.18 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 70 P 0.00 4.42 0.00 2.07 2.03 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 71 G 8.94 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 72 V 7.25 3.91 2.28 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 0.80 0.00 0.00 0.96 0.00 0.00 73 H 8.76 4.15 0.00 3.12 3.27 0.00 5.97 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.42 4.13 0.00 1.71 1.66 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.74 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.79 1.24 7.81 75 R 8.17 4.38 0.00 1.81 1.26 0.00 3.25 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.56 0.00 76 Y 7.96 4.81 0.00 2.79 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 F 9.01 5.06 0.00 3.28 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 78 R 8.96 4.20 0.00 1.91 2.09 0.00 3.38 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 79 K 7.87 4.90 0.00 1.74 1.61 0.00 1.79 0.00 0.00 1.99 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.50 1.43 7.81 80 I 7.96 3.26 1.34 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.27 -0.36 0.56 0.00 0.00 81 K 7.81 3.85 0.00 1.92 2.00 0.00 1.48 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.50 7.81 82 N 7.99 4.27 0.00 3.07 3.04 0.00 0.00 6.54 6.52 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 83 L 7.48 2.44 0.00 1.39 1.59 1.09 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.63 3.50 1.89 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 1.44 0.95 0.86 0.00 0.00 85 S 8.10 4.29 0.00 3.87 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 86 A 7.66 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 F 7.57 4.45 0.00 2.94 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 7.58 4.18 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.66 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.35 0.00 89 K 6.86 4.17 0.00 1.77 1.66 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.30 7.81 90 P 0.00 4.17 0.00 2.00 1.95 0.00 3.78 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 91 D 8.46 4.28 0.00 2.76 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 92 Q 8.13 4.43 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.56 0.00 0.00 0.00 0.00 0.00 2.48 2.28 0.00 93 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 94 I 7.05 4.36 1.28 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.67 -0.23 0.00 0.00 95 V 7.96 3.41 1.46 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 0.42 0.00 0.00 -0.25 0.00 0.00 96 I 6.86 4.30 1.56 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.60 0.98 0.00 0.00 97 P 0.00 4.40 0.00 2.00 2.13 0.00 3.68 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 98 L 8.38 3.81 0.00 1.15 0.31 0.46 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 9.10 4.12 0.00 1.22 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 7.00 0.00 0.00 0.00 0.00 0.00 2.02 2.27 0.00 100 Y 7.93 4.95 0.00 3.06 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 0.00 101 P 0.00 3.66 0.00 1.89 1.71 0.00 3.83 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 1.97 1.99 0.00 102 V 8.21 4.08 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 0.93 0.00 0.00 0.90 0.00 0.00 103 E 8.53 4.54 0.00 1.86 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 104 K 8.36 3.85 0.00 1.65 1.50 0.00 1.60 0.00 0.00 1.68 0.00 0.00 3.21 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.55 1.33 7.81