NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.5725 8.4293 116.1863 55.1297 30.4012 173.3302 2 C 4.0933 7.6455 114.0444 56.8148 30.0970 172.1423 3 D 4.5596 8.3420 118.5237 55.0628 40.2041 175.4339 4 L 4.0708 8.0290 120.3788 57.1537 42.2508 175.7232 5 P 4.5562 0.0000 0.0000 62.3003 32.3096 175.3549 6 C 4.3009 8.4583 113.4595 57.7612 30.7405 174.9438 7 G 3.9112 8.2922 107.4740 45.5312 0.0000 172.8401 8 V 4.3384 7.3119 118.7717 60.9794 32.8980 174.3677 9 Y 4.6927 8.0880 123.4665 56.7069 42.1181 174.4557 10 D 3.6503 7.8801 117.1001 51.7288 43.7739 174.8044 11 P 4.0698 0.0000 0.0000 64.8126 31.1616 178.0490 12 A 3.9803 8.3364 120.3167 55.2845 17.9286 179.6207 13 Q 3.8123 7.9698 116.3382 58.9977 28.6729 178.9002 14 A 4.0551 7.7669 121.2925 54.9950 18.4548 179.3972 15 R 3.8229 8.1034 117.3036 59.7368 30.3229 178.6783 16 I 3.6963 8.0813 119.8922 64.6154 37.0999 178.3411 17 E 4.0094 8.0193 118.9979 59.3457 29.3147 179.3002 18 A 4.0853 8.3136 120.9239 55.0030 18.2853 179.5735 19 E 3.9655 8.5574 117.7783 59.6119 29.4811 179.6700 20 S 4.1107 8.0022 114.8524 61.4423 62.9057 176.6403 21 V 3.5643 7.7536 120.9815 66.1078 31.1614 178.0327 22 K 4.1162 8.1672 118.8489 59.4487 32.0550 178.5533 23 A 4.1563 8.3560 121.4264 55.3224 18.2335 179.6768 24 I 3.7535 8.2706 118.7192 64.6487 36.8827 178.6872 25 Q 4.0275 8.2004 118.9176 59.0425 27.8273 178.7314 26 E 4.0207 8.4133 119.7927 59.3762 29.4199 179.6006 27 K 4.3164 8.2797 118.6158 59.6837 31.9133 179.3562 28 M 4.4111 8.3813 118.0307 58.0685 31.9035 178.2647 29 A 4.1542 7.7798 119.9460 54.0134 18.5913 177.8764 30 A 4.3112 7.2798 119.4296 52.4917 20.6410 176.1277 31 N 4.5740 8.1644 115.0574 52.3530 38.9220 173.7828 32 D 4.8397 8.4506 124.4888 53.0806 40.1444 176.4470 33 D 4.4365 8.4002 120.8127 54.2449 42.3282 175.9449 34 L 3.9112 8.7427 128.8656 59.1227 42.0649 178.9967 35 H 4.1416 8.2659 115.2034 58.6224 28.6271 177.5426 36 F 4.1021 8.8322 122.7195 61.4256 39.2937 177.1563 37 Q 3.8786 8.6527 118.1147 58.9361 28.3938 179.1105 38 I 3.6214 7.9250 120.8588 64.4559 37.1180 178.6892 39 R 3.7935 7.9574 118.6133 59.2042 29.8361 178.9911 40 A 3.7108 7.9803 120.7660 55.2428 18.2406 179.9133 41 T 3.7226 7.7362 114.1908 66.6293 68.4484 176.9105 42 V 3.5430 7.7968 120.2532 66.3534 31.4967 178.2218 43 I 3.8975 7.9326 119.5765 64.1766 36.8851 178.3465 44 K 3.9032 8.4172 121.0228 59.3421 31.9741 178.4418 45 E 3.9006 8.2262 119.6799 59.3426 29.5763 178.9161 46 Q 3.9637 7.8611 117.8148 59.1428 28.7752 178.9940 47 R 3.9743 8.2363 118.9569 59.0515 30.0352 178.9775 48 A 3.9975 8.2633 120.9058 54.9651 18.3029 179.3154 49 E 3.8648 8.1679 117.9203 59.4338 29.6666 179.0680 50 L 3.9271 8.0509 118.8503 57.6320 41.6326 179.3532 51 A 4.0423 8.2330 120.8389 55.1412 18.2520 179.8250 52 K 3.9181 8.2572 117.1174 59.7726 32.1176 179.0445 53 H 4.1373 8.3872 118.5337 59.7102 29.9313 177.0638 54 H 4.2515 8.3371 118.0925 58.8869 28.4836 177.8693 55 L 4.1137 8.0604 120.9091 57.7659 41.4108 179.1598 56 D 4.5330 8.4914 119.3123 57.4799 40.6833 179.0348 57 V 3.7283 8.0103 118.7113 65.9395 31.4356 178.0967 58 L 3.9136 8.0101 118.5275 57.4612 41.2540 179.3398 59 W 4.6214 8.4447 127.4046 60.7288 30.8425 177.8586 60 S 3.9921 9.0240 113.1925 60.5361 62.8314 175.1188 61 D 4.7129 8.1950 120.7468 55.9161 41.8104 177.4603 62 Y 3.4861 7.5353 118.1662 60.1786 38.9917 175.7641 63 F 3.9994 7.7927 118.0788 57.3326 39.5351 175.3699 64 K 4.5016 8.2292 124.1744 53.9298 34.6752 175.3676 65 P 4.4642 0.0000 0.0000 65.8400 30.9820 177.2470 66 P 4.2952 0.0000 0.0000 65.6806 31.1212 178.4019 67 H 4.3219 7.9037 115.1284 59.0060 28.4020 177.9082 68 F 4.2351 7.8010 117.6743 60.1815 38.8015 177.1977 69 E 4.2130 7.8872 117.6502 59.3827 29.4328 179.0147 70 S 4.3174 8.3719 114.5906 60.2381 64.0669 174.9537 71 Y 4.4873 8.0877 122.2837 55.0248 36.9310 174.4793 72 P 4.5478 0.0000 0.0000 64.6394 31.9073 177.6641 73 E 4.5705 8.0695 117.5337 56.1432 30.4276 177.1596 74 L 3.9075 8.2820 122.6429 58.5610 41.9988 178.4324 75 H 4.4313 8.4579 115.5248 59.5322 28.6286 177.6325 76 T 3.8135 7.9880 116.7407 66.4266 68.3275 176.2037 77 L 3.8114 8.0836 122.3758 58.2658 42.1672 179.2845 78 V 3.5646 7.9794 118.2790 65.8894 31.4379 177.4174 79 N 4.0380 8.1814 116.9643 56.7196 38.6685 176.7711 80 E 3.7627 8.2980 120.0444 58.7897 29.3665 179.1826 81 A 3.8305 7.4717 120.9292 55.3654 18.5558 180.2346 82 V 3.6214 7.7710 110.7852 64.2869 31.5348 179.0584 83 K 3.9931 7.9996 118.3317 59.1271 31.8401 179.2386 84 A 4.0863 8.2140 121.6267 55.1228 18.2935 179.7065 85 L 4.0094 7.9487 117.6242 57.9504 41.5127 179.8555 86 S 4.1130 8.1479 115.0313 61.5514 62.5282 176.6025 87 A 4.0046 7.9126 122.3119 55.0378 18.4435 179.2484 88 A 4.1752 8.0111 120.7452 54.6101 18.1884 179.9441 89 K 3.9086 7.9180 116.1585 59.4057 32.2554 178.5389 90 A 4.3783 7.5117 117.6485 51.7245 18.8599 176.7040 91 S 4.6758 7.3035 111.4834 56.8525 65.6899 173.7230 92 T 4.3713 8.2961 112.5802 61.2760 69.7314 173.9025 93 D 4.4990 8.2477 124.2620 53.3152 41.3792 174.9277 94 P 4.5569 0.0000 0.0000 64.8678 31.1716 178.3201 95 A 4.0007 8.4489 119.8802 55.0222 17.7790 179.7374 96 T 3.9755 8.1974 108.9893 64.8691 68.9519 177.3010 97 G 3.5997 8.1224 108.1852 47.5013 0.0000 175.3448 98 Q 3.9735 8.3792 122.1970 58.7286 29.1917 178.0684 99 K 3.7403 8.3148 120.6809 59.4702 32.1144 178.5974 100 A 4.1875 8.0075 120.7845 55.2787 18.2871 179.6093 101 L 3.9656 8.0135 117.5208 57.9410 41.5702 179.5402 102 D 4.3061 8.3614 119.1949 57.6149 40.7488 178.4579 103 Y 4.3044 7.7664 116.8580 61.1984 37.8544 178.5718 104 I 3.7838 8.2652 120.7954 64.3842 37.2582 178.3592 105 A 4.1855 8.3364 121.7413 55.2056 18.2022 179.7649 106 Q 4.0494 8.0129 116.4401 59.1256 28.7013 178.8884 107 I 3.8108 8.0832 121.0355 64.3395 37.1606 177.8897 108 D 4.3606 8.7016 119.4373 57.1560 41.0395 178.3160 109 K 4.1395 8.1625 119.9528 59.7182 32.2426 178.8866 110 I 3.5980 7.6553 119.6327 64.1092 36.9226 177.9095 111 F 3.9521 8.5442 121.8164 61.4421 39.0930 177.4338 112 W 4.1627 8.3353 118.1079 59.5064 28.5701 178.4975 113 E 4.0812 8.3444 119.1421 59.7222 28.7543 179.5073 114 T 3.9688 7.8759 108.5092 64.4235 68.8410 176.6349 115 K 4.0027 7.4923 120.9297 59.0347 32.2546 178.7674 116 K 4.3319 8.1174 115.3716 56.7976 32.4035 176.8734 117 A 4.2023 7.5818 127.5403 52.5001 18.2853 177.2134 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 H 8.43 4.57 0.00 3.23 3.23 0.00 5.48 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 C 7.65 4.09 0.00 3.10 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 3 D 8.34 4.56 0.00 2.87 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 4 L 8.03 4.07 0.00 1.59 1.74 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.56 0.00 2.28 2.08 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 6 C 8.46 4.30 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 7 G 8.29 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 8 V 7.31 4.34 2.02 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 0.89 0.00 0.00 0.93 0.00 0.00 9 Y 8.09 4.69 0.00 2.79 2.41 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 10 D 7.88 3.65 0.00 2.57 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 0.00 0.00 0.00 0.00 11 P 0.00 4.07 0.00 2.24 1.89 0.00 2.86 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.18 0.00 12 A 8.34 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 7.97 3.81 0.00 1.80 1.62 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 2.21 2.31 0.00 14 A 7.77 4.06 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 15 R 8.10 3.82 0.00 1.90 2.08 0.00 3.13 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 1.64 1.69 0.00 16 I 8.08 3.70 1.86 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 1.52 0.98 0.91 0.00 0.00 17 E 8.02 4.01 0.00 2.13 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 0.00 2.58 2.55 0.00 18 A 8.31 4.09 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 19 E 8.56 3.97 0.00 2.20 2.02 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 2.34 2.62 0.00 20 S 8.00 4.11 0.00 4.07 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 21 V 7.75 3.56 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 1.00 0.00 0.00 0.99 0.00 0.00 22 K 8.17 4.12 0.00 1.89 1.91 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.16 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.61 7.81 23 A 8.36 4.16 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 24 I 8.27 3.75 2.03 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 1.54 0.72 0.91 0.00 0.00 25 Q 8.20 4.03 0.00 2.31 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 26 E 8.41 4.02 0.00 2.18 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 0.00 2.34 2.61 0.00 27 K 8.28 4.32 0.00 2.20 2.06 0.00 1.80 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.68 7.81 28 M 8.38 4.41 0.00 2.07 2.33 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 2.59 0.00 29 A 7.78 4.15 1.38 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 0.00 0.00 30 A 7.28 4.31 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 31 N 8.16 4.57 0.00 2.16 2.14 0.00 0.00 7.14 8.28 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 32 D 8.45 4.84 0.00 2.82 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 33 D 8.40 4.44 0.00 2.86 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 34 L 8.74 3.91 0.00 1.77 1.62 0.88 1.00 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 35 H 8.27 4.14 0.00 3.47 3.38 0.00 5.87 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.83 4.10 0.00 3.19 3.29 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 37 Q 8.65 3.88 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.70 2.62 0.00 38 I 7.93 3.62 1.98 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 1.48 0.72 0.88 0.00 0.00 39 R 7.96 3.79 0.00 1.79 1.87 0.00 3.15 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 40 A 7.98 3.71 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 41 T 7.74 3.72 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 1.18 0.00 0.00 42 V 7.80 3.54 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 1.00 0.00 0.00 0.96 0.00 0.00 43 I 7.93 3.90 1.88 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 1.38 0.47 0.89 0.00 0.00 44 K 8.42 3.90 0.00 1.79 1.87 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.44 7.81 45 E 8.23 3.90 0.00 2.28 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 2.29 2.38 0.00 46 Q 7.86 3.96 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 47 R 8.24 3.97 0.00 1.82 2.11 0.00 3.29 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.79 0.00 48 A 8.26 4.00 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 49 E 8.17 3.86 0.00 2.22 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 0.00 2.29 2.38 0.00 50 L 8.05 3.93 0.00 1.92 1.68 0.93 0.51 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 51 A 8.23 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 52 K 8.26 3.92 0.00 1.98 1.86 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.67 7.81 53 H 8.39 4.14 0.00 3.22 3.43 0.00 5.79 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 54 H 8.34 4.25 0.00 3.34 3.28 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.06 4.11 0.00 1.88 1.76 0.95 1.16 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 56 D 8.49 4.53 0.00 2.90 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 57 V 8.01 3.73 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 1.38 0.00 0.00 0.89 0.00 0.00 58 L 8.01 3.91 0.00 2.10 1.72 0.78 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 59 W 8.44 4.62 0.00 3.44 3.61 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 60 S 9.02 3.99 0.00 4.06 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 0.00 61 D 8.19 4.71 0.00 3.03 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 62 Y 7.54 3.49 0.00 1.43 2.42 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 63 F 7.79 4.00 0.00 2.88 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 0.00 0.00 0.00 0.00 64 K 8.23 4.50 0.00 1.44 1.57 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.17 7.81 65 P 0.00 4.46 0.00 2.15 2.16 0.00 3.56 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 2.11 2.23 0.00 66 P 0.00 4.30 0.00 2.01 2.04 0.00 3.39 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 67 H 7.90 4.32 0.00 3.00 3.06 0.00 5.64 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 68 F 7.80 4.24 0.00 3.17 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 69 E 7.89 4.21 0.00 2.18 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 0.00 2.56 2.51 0.00 70 S 8.37 4.32 0.00 3.74 3.57 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 71 Y 8.09 4.49 0.00 3.00 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 72 P 0.00 4.55 0.00 2.21 2.22 0.00 3.76 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 2.02 2.00 0.00 73 E 8.07 4.57 0.00 2.07 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 0.00 2.36 2.26 0.00 74 L 8.28 3.91 0.00 1.79 1.81 0.49 -0.56 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 75 H 8.46 4.43 0.00 3.28 3.38 0.00 5.68 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 76 T 7.99 3.81 4.43 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 1.19 0.00 0.00 77 L 8.08 3.81 0.00 1.83 1.85 1.05 1.22 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 78 V 7.98 3.56 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 0.96 0.00 0.00 1.19 0.00 0.00 79 N 8.18 4.04 0.00 2.73 2.77 0.00 0.00 7.23 7.33 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 80 E 8.30 3.76 0.00 1.42 1.16 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 2.18 2.29 0.00 81 A 7.47 3.83 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 82 V 7.77 3.62 2.00 0.00 0.00 0.00 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 0.82 0.00 0.00 83 K 8.00 3.99 0.00 1.92 1.81 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.47 7.81 84 A 8.21 4.09 1.58 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 85 L 7.95 4.01 0.00 1.88 1.73 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.15 4.11 0.00 4.04 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 87 A 7.91 4.00 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 88 A 8.01 4.18 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 89 K 7.92 3.91 0.00 2.00 1.99 0.00 1.69 0.00 0.00 1.91 0.00 0.00 3.20 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.59 7.81 90 A 7.51 4.38 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 91 S 7.30 4.68 0.00 3.82 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 92 T 8.30 4.37 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 93 D 8.25 4.50 0.00 2.70 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 94 P 0.00 4.56 0.00 2.20 2.11 0.00 3.94 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 2.13 2.04 0.00 95 A 8.45 4.00 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 96 T 8.20 3.98 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 97 G 8.12 3.60 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 0.00 0.00 0.00 98 Q 8.38 3.97 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 99 K 8.31 3.74 0.00 1.94 1.99 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.15 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 1.28 7.81 100 A 8.01 4.19 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 0.00 101 L 8.01 3.97 0.00 1.93 1.74 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 102 D 8.36 4.31 0.00 2.60 2.53 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 0.00 103 Y 7.77 4.30 0.00 3.23 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 I 8.27 3.78 2.06 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 1.51 0.78 0.94 0.00 0.00 105 A 8.34 4.19 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 0.00 106 Q 8.01 4.05 0.00 2.35 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 107 I 8.08 3.81 2.10 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.89 1.08 0.00 0.00 108 D 8.70 4.36 0.00 2.89 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 0.00 109 K 8.16 4.14 0.00 2.00 2.01 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.59 7.81 110 I 7.66 3.60 1.73 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 1.13 0.35 -0.15 0.00 0.00 111 F 8.54 3.95 0.00 2.99 2.99 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 0.00 112 W 8.34 4.16 0.00 3.55 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 0.00 113 E 8.34 4.08 0.00 2.31 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 2.45 2.61 0.00 114 T 7.88 3.97 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 1.25 0.00 0.00 115 K 7.49 4.00 0.00 1.76 1.91 0.00 1.58 0.00 0.00 1.46 0.00 0.00 2.94 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.30 0.43 7.81 116 K 8.12 4.33 0.00 1.82 1.92 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.80 7.81 117 A 7.58 4.20 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