NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 H 4.7594 8.4449 117.8337 56.2384 30.0032 172.9053 -2 H 4.5230 8.5864 117.3056 56.1396 29.4717 173.5522 -1 H 5.0856 7.5897 115.2901 53.5628 33.4946 171.9949 0 H 4.6297 8.9215 117.1072 56.0260 28.8843 174.3215 1 F 4.9141 8.3644 119.3036 57.8459 39.8517 173.9477 2 N 4.6092 8.5828 117.2026 52.4623 39.0648 174.5415 3 L 4.7327 8.0590 123.2832 52.0275 43.9588 174.6449 4 P 4.5602 0.0000 0.0000 61.7084 32.1651 174.7736 5 P 4.2817 0.0000 0.0000 64.7042 31.7144 176.7624 6 G 3.8573 7.6976 107.8973 44.6618 0.0000 170.7651 7 N 4.4386 8.0352 115.3613 51.5519 39.0789 173.7091 8 Y 4.9444 7.8276 112.9463 57.9771 38.5268 178.1277 9 K 4.2703 8.5342 122.0173 58.4352 32.3157 177.3793 10 K 4.7294 7.1826 114.1250 53.4068 35.4119 174.1487 11 P 4.7399 0.0000 0.0000 63.1157 32.2682 175.4135 12 K 4.8602 9.1681 119.9805 55.2640 37.3121 175.1766 13 L 5.0706 9.0538 121.6585 53.5412 44.2747 176.1422 14 L 5.0137 8.6345 122.3266 53.5631 43.7017 174.4589 15 Y 4.9202 9.3035 126.9328 56.2137 40.7249 173.7090 16 C 4.4771 8.6238 128.1510 56.5931 32.4195 174.6264 17 S 3.8137 8.3292 121.6949 60.6806 63.0286 175.0844 18 N 4.2391 7.9545 119.4691 55.9471 38.5837 175.3273 19 G 3.8743 7.4887 102.0960 43.9695 0.0000 171.7933 20 G 3.3922 7.7830 107.2382 44.8321 0.0000 173.3121 21 H 4.9961 6.9879 114.4598 53.6769 33.0249 174.9040 22 F 5.2323 8.9658 121.1151 56.4519 40.5314 175.1150 23 L 4.6212 9.0629 126.3078 55.3304 43.2659 175.6263 24 R 4.8506 9.2704 126.0832 54.6033 33.8016 173.8251 25 I 4.7854 8.2166 126.4232 59.5172 38.8559 175.7549 26 L 4.1545 9.0882 128.0726 53.2168 42.4425 176.5871 27 P 4.1487 0.0000 0.0000 65.8735 31.2451 177.2513 28 D 4.5356 7.9641 114.4313 53.5541 39.7116 177.0317 29 G 4.4557 8.4246 110.0139 45.3423 0.0000 173.9743 30 T 4.2315 8.2758 117.7869 63.4383 68.9995 173.3652 31 V 4.8393 8.0778 125.3941 61.2540 33.9210 174.4828 32 D 4.5828 8.4811 125.1692 52.9836 42.6051 174.1038 33 G 4.5872 8.6198 104.7146 45.3351 0.0000 172.3749 34 T 5.0046 8.8529 114.6692 60.3702 71.0461 174.7143 35 R 4.2486 8.9223 124.2201 56.7407 30.9860 176.1484 36 D 4.6746 8.2828 119.6923 52.9382 40.6124 176.7825 37 R 3.5593 8.6218 127.9549 58.2490 30.3160 177.0537 38 S 4.3901 7.8310 110.2029 58.4393 63.6531 174.0225 39 D 4.3723 7.6503 121.7951 54.9711 41.2106 176.2410 40 Q 4.1796 8.5661 123.9097 57.7050 29.4113 176.1875 41 H 4.8160 9.2628 115.7962 55.4564 28.9115 175.7250 42 I 4.5955 6.9550 111.4478 60.0048 38.4335 175.4439 43 Q 4.2883 7.8261 122.0368 55.5836 29.7540 174.6479 44 L 5.1983 9.0486 124.7536 52.7881 45.5105 175.4027 45 Q 4.8280 9.0912 124.5950 54.4409 30.7990 174.5614 46 L 5.0858 8.5810 126.8171 54.2338 43.2411 176.3807 47 S 4.6270 8.5675 115.0525 56.6899 66.7662 173.0443 48 A 4.6018 8.5218 122.9912 52.7328 19.8395 176.4306 49 E 4.1388 8.7784 120.9825 56.6705 28.8076 179.0609 50 S 4.5207 5.8958 115.2482 57.0169 64.5793 173.4787 51 V 3.7828 8.2217 121.3990 64.9127 31.5005 176.2505 52 G 3.9620 9.2209 114.6960 45.2810 0.0000 171.8445 53 E 5.1879 8.2610 119.8477 54.6636 32.0612 175.5878 54 V 4.8655 8.8494 116.2544 59.9193 36.5254 174.1292 55 Y 5.1911 8.6823 120.6405 56.7976 40.6967 175.0502 56 I 4.5819 8.5806 122.3801 59.6096 40.4451 174.0890 57 K 4.6075 8.6089 129.1002 53.8790 35.0325 175.0935 58 S 4.4315 8.7808 123.2150 58.8370 62.5549 174.9085 59 T 3.8470 8.5909 118.9735 64.6480 68.6772 175.8581 60 E 4.0633 8.3465 122.5522 58.2194 29.9042 176.9947 61 T 4.3161 7.9122 106.6002 60.4169 70.3903 175.4848 62 G 3.7604 8.1358 109.1380 45.5120 0.0000 173.8006 63 Q 4.3467 7.5875 118.8251 56.1067 30.1792 174.7594 64 Y 4.9121 8.6685 119.9520 55.9899 40.6665 175.1021 65 L 4.4998 8.9824 125.9412 55.3677 43.4027 175.6506 66 A 5.1985 8.8259 126.2900 50.4514 23.1937 174.2811 67 M 5.3433 8.7698 119.0993 53.9387 34.9751 175.5716 68 D 5.2842 9.5018 126.0358 51.8420 41.3778 176.7751 69 T 4.2763 8.4698 107.7298 63.5251 68.9746 174.6392 70 D 4.6182 8.3766 121.0949 54.1828 41.4872 176.9138 71 G 3.1659 8.5644 108.5160 45.3271 0.0000 172.8577 72 L 4.7980 8.0604 119.5032 52.6903 43.2953 176.1009 73 L 5.0326 8.3165 122.6455 55.2023 42.7259 175.5991 74 Y 4.8566 8.7700 118.9490 56.0151 41.8993 173.5095 75 G 4.1660 9.0670 109.1210 45.5928 0.0000 173.1407 76 S 5.1048 9.0320 120.8687 56.6696 64.1184 175.3298 77 Q 4.1449 9.0617 125.1468 58.1958 28.9237 176.5226 78 T 4.7327 7.6347 106.3324 59.0751 71.7694 172.7889 79 P 3.9194 0.0000 0.0000 61.0885 29.9839 174.7644 80 N 4.9907 7.4614 124.1763 51.6609 40.3297 175.9180 81 E 3.8815 8.7104 114.8377 59.7461 29.4508 177.5989 82 E 4.1458 8.9143 118.0241 57.6127 29.6990 177.3282 83 C 5.1087 7.8791 115.1699 58.6081 29.4083 173.4696 84 L 4.2441 7.2687 121.2806 53.7691 42.7821 175.6760 85 F 5.1655 8.8998 121.8967 55.5240 43.2674 174.5401 86 L 4.8168 9.1262 123.1811 53.9199 42.4764 175.5575 87 E 4.5268 8.8306 126.8793 55.2832 30.2011 175.7806 88 R 4.8145 8.5354 125.4572 53.9042 34.6931 174.7816 89 L 4.6996 8.6340 124.1551 55.4187 43.1041 175.9054 90 E 4.6973 9.0719 124.9346 55.2671 33.6139 174.8673 91 E 4.0075 9.7387 123.6960 57.6355 27.2746 174.2368 92 N 4.3188 8.5374 110.9702 54.1828 36.4597 173.9749 93 H 4.8196 8.4809 117.1193 57.5870 37.8408 173.6179 94 Y 4.6290 7.8369 116.1105 57.5385 40.0076 173.4191 95 N 5.5367 9.5872 118.2628 52.0196 41.1112 174.6922 96 T 5.2239 8.8513 112.9847 60.1886 72.6936 172.8594 97 Y 4.9953 8.5862 119.0761 56.6304 41.6004 174.1713 98 I 4.5691 8.4835 126.0117 59.1356 39.5237 175.5629 99 S 4.0429 8.8118 122.1016 58.7347 62.4319 174.1429 100 K 3.9774 8.7319 129.0748 59.3406 32.2969 178.7147 101 K 3.8456 7.9126 117.8898 58.8646 32.1618 177.3242 102 H 4.7243 7.9902 115.3349 55.3176 30.0262 176.5565 103 A 3.9649 7.7230 126.1763 55.1382 17.9719 179.8802 104 E 3.7548 7.8536 113.6565 58.3185 29.9667 177.7694 105 K 3.9197 7.6167 117.8807 56.0512 32.6324 176.0089 106 N 3.9850 7.4486 115.3267 53.9456 36.4356 174.5263 107 W 5.0473 7.8007 117.7426 55.8650 30.8681 176.8060 108 F 5.3777 9.0007 123.8002 55.2899 40.9674 175.9154 109 V 3.8383 8.8922 122.2459 63.3811 32.4201 175.2484 110 G 4.3329 8.5603 112.7281 45.4704 0.0000 171.4208 111 L 5.2564 8.5389 119.8837 52.5330 45.5447 177.3168 112 K 4.1849 9.1118 122.8097 55.4914 32.9521 178.4704 113 K 3.9379 8.4083 119.6855 59.3974 31.9715 178.0432 114 N 4.5534 8.0365 113.6428 52.9361 37.7744 175.8389 115 G 3.5400 8.2575 109.5426 45.1640 0.0000 174.1156 116 S 4.5913 8.1288 114.6389 57.9214 64.0359 173.2408 117 C 4.8269 8.1817 118.9176 59.2208 28.9478 173.8660 118 K 4.2152 8.4794 121.7731 56.4934 32.6626 177.0612 119 R 4.1405 8.4911 122.4701 55.5253 31.2907 177.3426 120 G 3.3021 8.8606 114.1274 48.2971 0.0000 174.0312 121 P 4.3571 0.0000 0.0000 64.0849 31.3931 177.2969 122 R 4.4674 7.9850 116.7537 55.9237 30.2461 176.0594 123 T 5.2016 7.7598 108.4830 59.9910 70.8861 173.4307 124 H 4.8400 8.0103 115.1673 54.7347 30.7499 172.8868 125 Y 3.9530 8.6995 118.5114 60.1091 38.0808 177.2536 126 G 4.0443 8.9712 111.4351 45.4209 0.0000 173.9979 127 Q 4.1592 7.3504 118.9039 55.3357 29.6516 177.3170 128 K 3.7823 8.3292 119.2020 58.9732 32.6896 179.4964 129 A 3.9876 8.0811 121.0559 53.8190 18.3235 178.4048 130 I 4.4008 7.1671 106.0597 60.3138 38.4617 175.1522 131 L 4.4864 7.2602 123.1364 53.4978 43.0501 175.6280 132 F 5.1961 9.3718 122.6253 55.5935 43.0192 174.3371 133 L 5.3471 9.1364 121.1874 52.2360 44.8004 174.2916 134 P 5.0405 0.0000 0.0000 62.9079 32.2268 175.6773 135 L 5.1190 9.1158 123.0088 51.8451 45.9956 174.2548 136 P 4.6471 0.0000 0.0000 62.6246 32.2740 176.7828 137 V 3.7074 8.2273 113.8530 61.8710 31.4754 176.1657 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 -3 H 8.44 4.76 0.00 3.11 3.41 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 -2 H 8.59 4.52 0.00 3.17 3.19 0.00 5.64 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 7.59 5.09 0.00 3.17 3.33 0.00 5.71 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 0 H 8.92 4.63 0.00 3.33 3.41 0.00 5.66 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 F 8.36 4.91 0.00 2.89 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.58 4.61 0.00 2.95 2.78 0.00 0.00 6.88 6.74 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 3 L 8.06 4.73 0.00 1.47 1.41 0.59 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.56 0.00 2.15 2.16 0.00 3.45 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 5 P 0.00 4.28 0.00 2.17 2.19 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 6 G 7.70 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 7 N 8.04 4.44 0.00 2.55 2.62 0.00 0.00 5.77 7.55 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 8 Y 7.83 4.94 0.00 3.08 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 9 K 8.53 4.27 0.00 1.85 1.90 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.43 7.81 10 K 7.18 4.73 0.00 1.68 1.68 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.38 7.81 11 P 0.00 4.74 0.00 1.93 2.04 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.26 0.00 12 K 9.17 4.86 0.00 1.64 1.85 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.65 7.81 13 L 9.05 5.07 0.00 1.73 1.74 0.39 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.63 5.01 0.00 1.53 1.59 0.35 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.30 4.92 0.00 3.21 3.13 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 0.00 0.00 0.00 16 C 8.62 4.48 0.00 2.35 2.47 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 17 S 8.33 3.81 0.00 3.97 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 18 N 7.95 4.24 0.00 2.61 2.67 0.00 0.00 6.72 7.98 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 19 G 7.49 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 0.00 0.00 0.00 20 G 7.78 3.39 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 0.00 21 H 6.99 5.00 0.00 2.99 3.14 0.00 5.81 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.97 5.23 0.00 3.07 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.06 4.62 0.00 1.84 1.52 0.96 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.27 4.85 0.00 1.93 2.03 0.00 3.24 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 25 I 8.22 4.79 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.73 0.88 0.00 0.00 26 L 9.09 4.15 0.00 1.74 1.50 0.91 0.82 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 27 P 0.00 4.15 0.00 2.00 2.12 0.00 3.47 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.03 0.00 28 D 7.96 4.54 0.00 2.78 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.42 4.46 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 30 T 8.28 4.23 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 1.22 0.00 0.00 31 V 8.08 4.84 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 0.82 0.00 0.00 0.93 0.00 0.00 32 D 8.48 4.58 0.00 2.87 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 G 8.62 4.59 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 0.00 0.00 0.00 34 T 8.85 5.00 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 1.37 0.00 0.00 35 R 8.92 4.25 0.00 1.89 2.00 0.00 3.22 0.00 0.00 3.14 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 36 D 8.28 4.67 0.00 2.83 2.64 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 37 R 8.62 3.56 0.00 1.88 1.89 0.00 3.30 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.96 0.00 38 S 7.83 4.39 0.00 4.01 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 39 D 7.65 4.37 0.00 2.82 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 40 Q 8.57 4.18 0.00 1.82 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.97 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 41 H 9.26 4.82 0.00 3.36 3.49 0.00 5.78 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 6.96 4.60 1.91 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 1.45 1.32 1.09 0.00 0.00 43 Q 7.83 4.29 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 44 L 9.05 5.20 0.00 1.59 1.44 0.81 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 9.09 4.83 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.89 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 46 L 8.58 5.09 0.00 1.65 1.24 0.88 1.02 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 47 S 8.57 4.63 0.00 3.92 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 48 A 8.52 4.60 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 49 E 8.78 4.14 0.00 1.75 1.49 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 0.00 2.19 2.29 0.00 50 S 5.90 4.52 0.00 4.07 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 51 V 8.22 3.78 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 0.94 0.00 0.00 1.03 0.00 0.00 52 G 9.22 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 53 E 8.26 5.19 0.00 1.99 1.70 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 2.20 2.28 0.00 54 V 8.85 4.87 1.96 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 0.61 0.00 0.00 1.16 0.00 0.00 55 Y 8.68 5.19 0.00 2.98 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 56 I 8.58 4.58 1.72 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.68 0.68 0.00 0.00 57 K 8.61 4.61 0.00 1.54 1.55 0.00 1.26 0.00 0.00 1.36 0.00 0.00 2.71 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.92 0.21 7.81 58 S 8.78 4.43 0.00 3.84 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 59 T 8.59 3.85 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 1.19 0.00 0.00 60 E 8.35 4.06 0.00 2.01 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 2.15 2.36 0.00 61 T 7.91 4.32 4.22 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 1.23 0.00 0.00 62 G 8.14 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 7.59 4.35 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 64 Y 8.67 4.91 0.00 2.97 2.91 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 65 L 8.98 4.50 0.00 1.62 1.49 0.80 0.27 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 66 A 8.83 5.20 0.46 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 67 M 8.77 5.34 0.00 2.22 2.23 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 2.66 2.67 0.00 68 D 9.50 5.28 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 69 T 8.47 4.28 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 1.34 0.00 0.00 70 D 8.38 4.62 0.00 2.77 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 71 G 8.56 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 0.00 0.00 0.00 72 L 8.06 4.80 0.00 2.05 1.60 0.82 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.32 5.03 0.00 1.56 1.61 0.90 0.86 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 74 Y 8.77 4.86 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 75 G 9.07 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 0.00 0.00 0.00 0.00 76 S 9.03 5.10 0.00 3.69 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 77 Q 9.06 4.14 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.54 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 78 T 7.63 4.73 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 1.22 0.00 0.00 79 P 0.00 3.92 0.00 0.73 0.49 0.00 3.47 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.22 0.00 80 N 7.46 4.99 0.00 2.95 2.98 0.00 0.00 5.86 7.66 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 81 E 8.71 3.88 0.00 2.05 2.11 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 2.28 2.33 0.00 82 E 8.91 4.15 0.00 2.23 2.27 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 2.39 2.48 0.00 83 C 7.88 5.11 0.00 3.23 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 84 L 7.27 4.24 0.00 1.33 1.29 0.77 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.90 5.17 0.00 3.10 3.08 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 86 L 9.13 4.82 0.00 1.51 1.61 0.89 0.78 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 87 E 8.83 4.53 0.00 2.14 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 2.19 1.89 0.00 88 R 8.54 4.81 0.00 1.76 1.78 0.00 3.13 0.00 0.00 2.89 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 89 L 8.63 4.70 0.00 1.53 1.62 1.01 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.07 4.70 0.00 2.22 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 0.00 2.28 2.42 0.00 91 E 9.74 4.01 0.00 2.45 2.16 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 2.29 2.40 0.00 92 N 8.54 4.32 0.00 2.86 2.90 0.00 0.00 6.87 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 93 H 8.48 4.82 0.00 2.87 2.94 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.84 4.63 0.00 2.99 3.01 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 95 N 9.59 5.54 0.00 2.87 2.49 0.00 0.00 6.99 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 96 T 8.85 5.22 4.55 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 1.36 0.00 0.00 97 Y 8.59 5.00 0.00 2.77 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 98 I 8.48 4.57 1.65 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.19 0.64 0.00 0.00 99 S 8.81 4.04 0.00 4.07 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 0.00 100 K 8.73 3.98 0.00 1.68 1.65 0.00 1.69 0.00 0.00 1.46 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.30 7.81 101 K 7.91 3.85 0.00 1.63 1.63 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.98 1.36 7.81 102 H 7.99 4.72 0.00 3.20 2.48 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.72 3.96 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 0.00 104 E 7.85 3.75 0.00 1.81 1.68 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 2.07 2.10 0.00 105 K 7.62 3.92 0.00 0.79 1.01 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.52 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.00 0.84 7.81 106 N 7.45 3.98 0.00 3.04 3.07 0.00 0.00 6.92 7.65 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 0.00 107 W 7.80 5.05 0.00 3.30 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.00 5.38 0.00 2.87 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.89 3.84 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 0.68 0.00 0.00 0.55 0.00 0.00 110 G 8.56 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 0.00 0.00 0.00 0.00 111 L 8.54 5.26 0.00 1.43 1.43 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 112 K 9.11 4.18 0.00 1.93 1.68 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.36 7.81 113 K 8.41 3.94 0.00 1.71 1.85 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.42 7.81 114 N 8.04 4.55 0.00 2.79 2.90 0.00 0.00 6.26 7.00 0.00 0.00 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 G 8.26 3.54 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 0.00 0.00 0.00 116 S 8.13 4.59 0.00 3.99 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 0.00 117 C 8.18 4.83 0.00 2.87 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 0.00 118 K 8.48 4.22 0.00 1.63 1.70 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.53 7.81 119 R 8.49 4.14 0.00 1.65 1.63 0.00 3.09 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 120 G 8.86 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 0.00 0.00 0.00 121 P 0.00 4.36 0.00 1.96 2.21 0.00 3.10 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.79 0.00 122 R 7.99 4.47 0.00 1.82 1.92 0.00 3.09 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.49 0.00 123 T 7.76 5.20 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 1.38 0.00 0.00 124 H 8.01 4.84 0.00 3.44 3.51 0.00 5.67 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.70 3.95 0.00 3.12 2.91 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 0.00 126 G 8.97 4.04 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 0.00 0.00 0.00 127 Q 7.35 4.16 0.00 1.81 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.77 0.00 0.00 0.00 0.00 0.00 2.12 2.01 0.00 128 K 8.33 3.78 0.00 1.75 1.65 0.00 1.53 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.27 7.81 129 A 8.08 3.99 1.19 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 0.00 0.00 130 I 7.17 4.40 1.62 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.97 0.54 0.00 0.00 131 L 7.26 4.49 0.00 1.01 0.68 0.27 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.37 5.20 0.00 3.39 3.10 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 0.00 0.00 0.00 0.00 133 L 9.14 5.35 0.00 1.85 1.69 1.07 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.04 0.00 2.17 2.20 0.00 3.80 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 135 L 9.12 5.12 0.00 1.70 1.60 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.65 0.00 2.06 2.05 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 137 V 8.23 3.71 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 0.65 0.00 0.00 0.90 0.00 0.00