NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1468 8.1727 122.0465 56.2827 34.1172 174.0815 2 V 4.5507 8.1463 127.0365 60.6926 32.2495 174.5158 3 F 4.4462 10.0028 129.0592 57.5780 40.1694 174.9724 4 E 4.2150 9.0785 121.2242 55.6465 30.9379 176.8199 5 R 3.3289 9.0016 120.6501 60.9340 29.9346 179.4376 6 C 4.3375 7.9991 115.3426 59.6213 37.9239 175.7434 7 E 3.8967 8.1004 120.7664 59.2672 29.2918 178.5019 8 L 3.4847 8.0077 120.1153 57.7775 42.0567 178.6195 9 A 3.9320 7.8443 120.7445 55.4045 18.3201 179.9207 10 R 3.9055 8.0139 116.4685 59.5358 30.2239 179.4521 11 T 3.8563 7.8666 115.6580 66.6156 68.5585 176.7558 12 L 3.8574 8.1674 121.3388 57.4735 41.6050 179.4296 13 K 3.9049 8.0902 119.6362 59.5914 31.9365 178.8840 14 R 3.9591 7.9119 117.7793 59.0123 30.0329 177.5124 15 L 4.3485 7.4269 116.0002 54.1973 41.7238 176.8841 16 G 3.8369 7.8270 106.8977 46.9953 0.0000 174.9906 17 M 3.9652 7.7224 120.2892 55.9314 32.5068 175.7912 18 D 4.3985 8.0239 118.1618 55.6593 41.1802 175.8351 19 G 3.9551 9.3510 115.5810 45.4528 0.0000 171.5336 20 Y 4.2515 8.2572 122.0376 58.9274 39.0471 176.4870 21 R 3.5096 8.9254 126.8042 57.2752 27.8380 177.1855 22 G 3.8100 8.1545 102.9414 45.7509 0.0000 173.9126 23 I 4.0994 7.6646 122.2014 59.0251 38.1521 175.8405 24 S 4.6312 8.3229 120.3804 57.7321 63.9031 174.8370 25 L 4.2202 8.7288 123.6669 58.7133 41.6379 179.4619 26 A 4.1299 8.1324 120.0091 55.2474 18.2334 179.2551 27 N 4.4085 8.2227 115.0400 56.2778 38.5657 177.7021 28 W 4.2347 8.0179 119.9316 59.9213 29.0882 178.3598 29 M 4.1546 8.4591 118.8407 58.6453 31.4606 177.9448 30 C 3.1385 8.1573 118.8464 59.0474 42.8473 175.3906 31 L 3.9679 8.2763 121.8790 58.2942 41.8016 178.8452 32 A 4.2700 8.3636 122.1813 54.3369 18.2538 179.4804 33 K 2.8106 8.2622 118.3136 59.3322 32.0484 179.1285 34 W 4.3067 7.7001 117.4258 59.2735 29.0900 178.3785 35 E 4.3511 8.5125 118.8761 58.7233 29.1544 177.8221 36 S 4.5217 7.7361 108.1749 56.6384 64.7305 173.9785 37 G 3.4104 8.0184 108.9385 46.9184 0.0000 173.1393 38 Y 3.6275 7.5893 113.3856 58.8326 35.1786 169.2008 39 N 5.2960 7.9030 118.8161 51.9225 40.2670 175.3173 40 T 4.1666 9.0241 117.8312 63.8817 69.1805 175.9801 41 R 4.4336 7.9548 116.5455 55.7382 30.1909 176.3109 42 A 4.3323 7.6213 121.5394 52.7274 19.2976 176.9341 43 T 5.0395 8.3519 110.9324 60.0720 72.6552 173.1136 44 N 4.8588 8.7142 121.5682 52.4160 42.3823 172.4740 45 Y 4.5961 8.7661 128.1587 57.4257 40.6917 174.0216 46 N 4.8046 8.6229 125.0824 51.0163 38.0296 175.1109 47 A 3.6732 8.2878 126.7444 54.8651 18.8359 179.5401 48 G 3.7310 7.9754 103.9132 48.1089 0.0000 173.7857 49 D 4.6542 7.2754 114.7936 52.0817 40.5218 175.5708 50 R 3.9562 8.2342 116.1464 56.8985 28.2516 175.8526 51 S 4.9153 7.6954 112.7741 57.2114 66.2910 172.8208 52 T 5.0829 8.7494 115.6078 61.9964 72.9108 172.8876 53 D 5.4488 9.1357 125.4476 53.3821 43.0257 175.0675 54 Y 5.0569 9.1880 121.0754 57.4392 41.5677 177.4432 55 G 4.4150 9.1190 112.3030 45.9593 0.0000 173.4355 56 I 3.6493 8.2443 117.0450 63.5409 37.9203 177.9020 57 F 4.8877 7.9594 115.4962 56.4411 39.8321 175.1985 58 Q 3.6163 7.9652 119.2489 57.1029 26.6338 174.3178 59 I 4.3308 8.1111 118.8060 61.2066 39.2223 176.8982 60 N 5.3989 9.2290 126.1780 53.3736 39.7430 175.8137 61 S 4.6375 9.1055 120.5826 60.4116 63.3179 175.4724 62 R 3.7441 8.6760 122.2678 58.8292 30.3143 177.8239 63 Y 4.4934 7.4882 113.3297 57.1562 40.7407 176.9361 64 W 4.8183 8.1384 118.9744 57.6838 30.1810 173.7091 65 C 5.5978 7.8925 110.6116 53.5048 44.3008 171.8289 66 N 4.9885 8.8788 119.8875 52.2192 39.7862 174.8919 67 D 4.8274 8.4408 122.6889 52.1529 40.4442 178.2760 68 G 4.0574 8.4751 108.2389 46.2967 0.0000 174.8005 69 K 4.4330 8.0239 116.5372 56.6949 33.1312 175.9217 70 T 4.5566 7.7624 117.1149 61.5851 69.4067 172.8795 71 P 4.2136 0.0000 0.0000 64.1475 31.8944 176.4091 72 G 3.9103 8.5558 110.5737 46.3466 0.0000 172.8672 73 A 4.4513 7.7029 120.1366 50.7033 20.5223 176.8850 74 V 4.5026 8.0866 112.7734 59.7599 35.6001 176.3310 75 N 4.9362 8.0614 115.7546 51.7762 38.5505 174.1163 76 A 3.9611 8.8428 124.6852 55.2833 19.0515 178.6421 77 C 4.4518 8.4259 110.8141 57.5791 40.8775 173.0518 78 H 4.1127 8.0087 116.2677 56.7217 26.3913 174.3832 79 L 4.8472 8.3026 117.1549 52.7817 46.2976 176.7821 80 S 4.5881 8.3599 115.4935 58.0841 63.2666 176.0224 81 C 4.0926 8.8047 124.1781 59.6488 40.8261 176.3539 82 S 3.9099 7.8216 114.4703 61.3149 61.6246 176.0048 83 A 4.0760 7.8060 122.5312 54.4795 17.9953 177.9775 84 L 4.4201 7.8434 116.2182 55.2315 41.7547 177.6862 85 L 5.0433 7.8449 117.3335 54.5087 42.4064 176.7398 86 Q 4.3520 7.8594 117.7034 55.4087 29.5296 175.9991 87 D 4.3754 8.5508 120.2444 57.1601 41.1241 176.6761 88 N 4.5554 8.0268 118.2169 53.2305 39.0642 174.5585 89 I 4.2360 8.4644 119.1136 61.0628 37.9646 176.9868 90 A 3.9409 8.5120 125.1111 55.9702 18.1072 180.1191 91 D 4.2771 8.0757 116.4636 57.4451 40.9614 178.7055 92 A 4.0694 7.9741 120.8597 55.1759 18.3925 179.7290 93 V 3.4563 8.3064 117.0488 65.9351 31.5852 178.1013 94 A 3.8156 8.0748 120.6680 55.2390 18.1031 178.8633 95 C 4.2058 8.4004 116.9370 59.6881 40.5457 175.5475 96 A 3.9402 8.3509 122.8520 55.0906 17.5995 179.7689 97 K 3.7565 7.6636 116.1699 59.4534 32.4279 179.1165 98 R 4.0777 7.7655 118.9465 59.3808 30.0580 178.5586 99 V 2.5463 7.6167 118.0758 65.8439 31.0452 178.0386 100 V 3.8842 7.7742 110.1289 62.7007 31.2826 177.9460 101 R 4.1423 7.6741 118.0287 57.7227 30.3938 176.0779 102 D 4.7161 7.4998 118.8179 52.8323 41.8057 175.1828 103 P 4.2321 0.0000 0.0000 66.3469 31.2736 177.9453 104 Q 4.0009 8.1865 117.3348 56.3838 29.9267 177.3478 105 G 3.6587 7.9537 107.3887 46.8122 0.0000 176.0048 106 I 3.4662 7.8178 119.6496 63.6115 37.9166 178.0384 107 R 4.1641 7.3148 117.4528 57.8853 30.0135 177.3848 108 A 4.0421 7.6586 121.1201 54.3982 18.6993 177.7469 109 W 4.6588 8.0838 117.0847 55.5481 29.8227 177.6201 110 V 3.7565 8.6995 123.7122 65.9208 30.9264 177.6325 111 A 4.0514 8.3089 120.2653 54.7548 18.1151 179.2470 112 W 3.9643 8.3897 126.6611 60.6879 30.5860 178.4006 113 R 3.7801 8.2553 116.4135 59.3657 29.6386 178.3869 114 N 4.4379 8.1330 115.4235 55.2786 38.6539 176.2193 115 R 4.2785 7.6905 112.7749 55.6626 30.5101 174.9670 116 C 4.4772 7.3129 114.8887 58.4489 42.8655 174.2202 117 Q 3.1321 6.5150 119.0823 57.3209 28.6691 175.7902 118 A 3.7122 8.5007 125.1498 52.9167 16.3381 176.6383 119 R 4.4847 7.3847 115.8627 55.3073 32.7589 175.9658 120 D 4.5592 8.4336 119.1077 54.1532 40.4245 175.6841 121 V 4.6285 8.1733 119.0446 61.2082 32.3135 178.4113 122 R 4.0495 8.3059 122.7079 59.3231 29.9335 178.8378 123 Q 3.9833 8.3009 115.4844 59.4943 28.3209 178.7198 124 Y 3.9258 7.8137 114.8133 60.0493 38.2090 176.9490 125 V 4.3601 7.8881 110.9552 60.7384 32.9337 175.6043 126 Q 4.1838 7.4697 120.3052 57.2736 28.7668 177.2189 127 G 3.9915 8.9166 110.4367 45.9411 0.0000 174.7479 128 C 4.3810 8.0419 116.1208 57.3279 40.5030 173.8629 129 G 3.8279 8.1258 107.1568 46.8974 0.0000 174.0923 130 V 4.0051 7.8936 117.9538 61.0799 32.0622 175.9172 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 K 8.17 4.15 0.00 1.90 1.63 0.00 1.19 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.86 1.09 7.81 2 V 8.15 4.55 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 0.90 0.00 0.00 0.94 0.00 0.00 3 F 10.00 4.45 0.00 2.87 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 4 E 9.08 4.22 0.00 1.96 1.86 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 2.32 2.25 0.00 5 R 9.00 3.33 0.00 1.93 1.90 0.00 3.41 0.00 0.00 3.44 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.78 0.00 6 C 8.00 4.34 0.00 3.00 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 7 E 8.10 3.90 0.00 2.07 2.25 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 2.62 2.44 0.00 8 L 8.01 3.48 0.00 1.31 1.35 -0.18 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.84 3.93 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 10 R 8.01 3.91 0.00 1.88 1.98 0.00 3.13 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 11 T 7.87 3.86 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 1.20 0.00 0.00 12 L 8.17 3.86 0.00 1.72 1.58 0.92 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.09 3.90 0.00 1.95 1.94 0.00 1.65 0.00 0.00 1.58 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.46 7.81 14 R 7.91 3.96 0.00 2.04 2.00 0.00 3.30 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 15 L 7.43 4.35 0.00 1.70 1.54 0.87 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.83 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 17 M 7.72 3.97 0.00 1.32 1.96 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.20 0.00 18 D 8.02 4.40 0.00 2.67 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 9.35 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 0.00 0.00 0.00 20 Y 8.26 4.25 0.00 3.34 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.93 3.51 0.00 1.87 1.83 0.00 3.24 0.00 0.00 3.00 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.42 0.00 22 G 8.15 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 0.00 0.00 0.00 23 I 7.66 4.10 1.71 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.75 -0.28 0.00 0.00 24 S 8.32 4.63 0.00 4.06 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 25 L 8.73 4.22 0.00 2.00 1.82 0.98 1.41 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 26 A 8.13 4.13 1.51 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 0.00 0.00 27 N 8.22 4.41 0.00 2.82 2.80 0.00 0.00 6.95 7.58 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 28 W 8.02 4.23 0.00 3.54 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 29 M 8.46 4.15 0.00 2.18 2.36 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.92 0.00 30 C 8.16 3.14 0.00 2.39 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 31 L 8.28 3.97 0.00 1.85 1.85 0.59 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.36 4.27 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 33 K 8.26 2.81 0.00 1.57 1.79 0.00 0.69 0.00 0.00 1.06 0.00 0.00 2.56 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.20 0.22 7.81 34 W 7.70 4.31 0.00 3.36 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 35 E 8.51 4.35 0.00 2.02 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 0.00 2.60 2.58 0.00 36 S 7.74 4.52 0.00 4.03 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 37 G 8.02 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.59 3.63 0.00 3.27 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 39 N 7.90 5.30 0.00 2.85 2.80 0.00 0.00 7.02 6.90 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 40 T 9.02 4.17 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 1.46 0.00 0.00 41 R 7.95 4.43 0.00 2.01 2.09 0.00 3.08 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.58 0.00 42 A 7.62 4.33 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 43 T 8.35 5.04 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 1.29 0.00 0.00 44 N 8.71 4.86 0.00 2.98 2.67 0.00 0.00 6.96 7.03 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 45 Y 8.77 4.60 0.00 2.98 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.62 4.80 0.00 2.64 2.60 0.00 0.00 6.54 7.15 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 47 A 8.29 3.67 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 48 G 7.98 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 0.00 0.00 0.00 49 D 7.28 4.65 0.00 2.68 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 50 R 8.23 3.96 0.00 2.02 2.19 0.00 3.13 0.00 0.00 3.19 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.53 0.00 51 S 7.70 4.92 0.00 3.98 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 52 T 8.75 5.08 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 0.60 0.00 0.00 53 D 9.14 5.45 0.00 2.68 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 9.19 5.06 0.00 2.94 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 55 G 9.12 4.42 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 56 I 8.24 3.65 1.70 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 0.93 1.20 0.13 0.00 0.00 57 F 7.96 4.89 0.00 3.24 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 58 Q 7.97 3.62 0.00 2.54 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.84 0.00 0.00 0.00 0.00 0.00 2.54 2.73 0.00 59 I 8.11 4.33 2.14 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 1.32 1.18 1.14 0.00 0.00 60 N 9.23 5.40 0.00 3.15 3.14 0.00 0.00 6.97 7.16 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 61 S 9.11 4.64 0.00 4.06 4.38 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 62 R 8.68 3.74 0.00 1.48 0.66 0.00 2.71 0.00 0.00 2.96 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.16 0.00 63 Y 7.49 4.49 0.00 1.48 2.31 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 64 W 8.14 4.82 0.00 3.68 3.30 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 65 C 7.89 5.60 0.00 3.13 3.20 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 66 N 8.88 4.99 0.00 2.80 2.70 0.00 0.00 7.02 9.22 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 67 D 8.44 4.83 0.00 2.90 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 68 G 8.48 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 69 K 8.02 4.43 0.00 1.92 1.93 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.47 7.81 70 T 7.76 4.56 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 1.15 0.00 0.00 71 P 0.00 4.21 0.00 2.01 1.98 0.00 3.81 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 72 G 8.56 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 0.00 0.00 0.00 73 A 7.70 4.45 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 74 V 8.09 4.50 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 0.65 0.00 0.00 0.86 0.00 0.00 75 N 8.06 4.94 0.00 2.73 2.65 0.00 0.00 6.76 7.73 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 76 A 8.84 3.96 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 77 C 8.43 4.45 0.00 3.31 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 78 H 8.01 4.11 0.00 3.32 3.36 0.00 5.62 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 79 L 8.30 4.85 0.00 1.67 1.49 0.96 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.36 4.59 0.00 3.83 3.69 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 81 C 8.80 4.09 0.00 2.26 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 82 S 7.82 3.91 0.00 3.89 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 83 A 7.81 4.08 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 84 L 7.84 4.42 0.00 1.95 1.83 1.07 0.46 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 85 L 7.84 5.04 0.00 1.78 1.72 1.12 1.01 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 86 Q 7.86 4.35 0.00 2.24 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 7.09 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 87 D 8.55 4.38 0.00 2.62 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 88 N 8.03 4.56 0.00 2.69 2.76 0.00 0.00 6.96 7.94 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 89 I 8.46 4.24 1.78 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.99 1.00 0.00 0.00 90 A 8.51 3.94 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 91 D 8.08 4.28 0.00 2.75 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 92 A 7.97 4.07 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 93 V 8.31 3.46 2.18 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 0.77 0.00 0.00 0.92 0.00 0.00 94 A 8.07 3.82 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 95 C 8.40 4.21 0.00 3.14 3.30 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 96 A 8.35 3.94 0.79 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 97 K 7.66 3.76 0.00 1.61 1.38 0.00 1.27 0.00 0.00 0.71 0.00 0.00 2.30 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.30 0.89 7.81 98 R 7.77 4.08 0.00 1.98 2.16 0.00 3.28 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.99 0.00 99 V 7.62 2.55 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 -0.28 0.00 0.00 -0.52 0.00 0.00 100 V 7.77 3.88 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 1.18 0.00 0.00 1.47 0.00 0.00 101 R 7.67 4.14 0.00 2.19 2.08 0.00 3.34 0.00 0.00 3.30 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 102 D 7.50 4.72 0.00 3.08 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 0.00 103 P 0.00 4.23 0.00 2.15 2.20 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 104 Q 8.19 4.00 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.95 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 105 G 7.95 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.82 3.47 0.99 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 -0.30 -0.36 -0.54 0.00 0.00 107 R 7.31 4.16 0.00 2.07 2.03 0.00 3.25 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.59 0.00 108 A 7.66 4.04 0.75 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 0.00 109 W 8.08 4.66 0.00 3.48 3.27 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 0.00 110 V 8.70 3.76 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 1.10 0.00 0.00 1.00 0.00 0.00 111 A 8.31 4.05 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 W 8.39 3.96 0.00 3.49 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 0.00 113 R 8.26 3.78 0.00 2.10 2.01 0.00 3.65 0.00 0.00 3.53 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.14 0.00 114 N 8.13 4.44 0.00 2.67 2.71 0.00 0.00 6.86 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 0.00 115 R 7.69 4.28 0.00 0.97 1.16 0.00 2.74 0.00 0.00 2.80 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.62 0.00 116 C 7.31 4.48 0.00 1.54 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 0.00 117 Q 6.51 3.13 0.00 0.93 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 118 A 8.50 3.71 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 0.00 119 R 7.38 4.48 0.00 1.89 1.82 0.00 3.15 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 120 D 8.43 4.56 0.00 2.64 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 0.00 121 V 8.17 4.63 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 0.92 0.00 0.00 1.03 0.00 0.00 122 R 8.31 4.05 0.00 2.02 2.02 0.00 3.30 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 123 Q 8.30 3.98 0.00 2.03 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.90 0.00 0.00 0.00 0.00 0.00 2.25 1.63 0.00 124 Y 7.81 3.93 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 0.00 125 V 7.89 4.36 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 1.05 0.00 0.00 126 Q 7.47 4.18 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.64 0.00 0.00 0.00 0.00 0.00 2.54 2.46 0.00 127 G 8.92 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 0.00 0.00 0.00 128 C 8.04 4.38 0.00 3.09 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 8.13 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 0.00 130 V 7.89 4.01 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 0.96 0.00 0.00