NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4443 8.3044 120.3587 55.4338 32.3965 174.3301 2 F 4.5471 8.5912 128.3882 56.6873 40.7286 174.2966 3 K 3.9275 7.0224 125.7543 54.5706 35.4072 173.7570 4 P 4.2442 0.0000 0.0000 62.1198 32.9440 175.5443 5 H 4.6017 9.0901 118.3332 55.6983 30.1588 174.8336 6 V 5.0306 8.7267 122.9346 61.7529 33.4882 174.5308 7 T 5.2142 9.3317 118.6980 60.1878 72.4433 173.5669 8 V 5.3721 8.5843 113.8309 59.8046 35.6843 174.9483 9 A 5.3425 9.5163 125.2099 50.5025 23.3662 174.5589 10 C 5.0575 8.6315 115.9302 58.0924 31.5478 174.4372 11 V 4.0259 8.7554 125.3276 61.9543 32.5733 174.8449 12 V 4.8523 8.3603 128.7965 61.4262 33.9730 173.4551 13 H 5.1099 9.2512 128.3269 54.1818 32.8119 172.3506 14 A 4.7074 8.6203 126.0124 51.8285 22.7958 175.9824 15 E 3.8018 9.2067 122.8302 58.6694 27.0044 174.6816 16 G 4.0873 7.7057 97.8228 46.4039 0.0000 172.2370 17 K 4.9207 7.4890 115.7346 54.3110 37.0882 175.8898 18 F 5.2201 9.8345 121.8090 55.6687 42.1773 174.3220 19 L 3.9096 7.8601 123.9745 53.7563 42.9108 176.0536 20 V 4.4446 7.9323 124.8370 61.2150 35.3737 174.3469 21 V 4.7024 8.5604 119.8326 59.6217 34.9089 174.1306 22 E 5.3508 8.8466 124.4117 54.8491 31.4386 174.6806 23 E 5.4246 9.3168 126.0612 54.0309 33.6959 175.2077 24 T 5.5261 8.1339 115.9254 61.4502 70.2412 174.0433 25 I 4.4127 8.3734 120.5314 60.5254 40.6975 175.3578 26 N 4.3549 8.4564 120.9837 54.8466 37.9545 175.2081 27 G 4.0140 9.0228 114.2188 45.8394 0.0000 171.9858 28 K 4.5374 8.4241 122.4195 54.4639 34.4041 174.9239 29 A 4.9864 8.4846 128.9781 50.7164 20.0133 176.1773 30 L 4.9931 9.4183 122.8168 53.0895 45.9468 176.1886 31 W 6.0461 8.8577 122.2805 55.4213 31.2492 174.9217 32 N 5.2625 8.4318 119.7096 51.9120 42.7643 173.5092 33 Q 4.3161 8.5638 121.3981 54.9886 30.6670 173.7075 34 P 4.5697 0.0000 0.0000 63.5077 32.3989 175.4281 35 A 4.9867 8.4882 126.0893 50.4565 22.7872 174.4533 36 G 4.1058 7.5747 106.7711 45.4829 0.0000 171.6612 37 H 4.8785 8.3711 116.2366 55.3701 29.3773 175.8462 38 L 4.2771 8.9194 124.0944 55.3631 42.7431 175.6725 39 E 4.9076 8.9149 123.3014 53.7764 33.0713 175.5756 40 A 4.1123 8.6839 122.9726 53.3863 18.8137 176.8834 41 D 4.5674 8.7348 115.9339 54.9743 38.6958 173.8067 42 E 5.0479 8.0177 116.6112 53.9716 33.0276 175.6081 43 T 3.5900 8.4121 122.0752 62.7647 70.7116 176.1110 44 L 3.8414 8.0295 123.3305 57.9395 41.6363 180.2320 45 V 3.0086 7.3257 117.6597 65.8234 31.5152 177.7870 46 E 3.8685 7.8977 117.6005 59.2900 29.1775 179.0864 47 A 3.9635 8.1892 121.1344 54.8148 18.3807 179.6493 48 A 3.8189 7.5320 118.8252 55.2130 18.4485 179.7457 49 A 3.9257 7.8679 119.3551 55.0950 18.3638 179.7889 50 R 3.8287 8.3029 117.5964 59.8207 29.7333 178.6344 51 E 4.0628 8.5047 118.6525 59.2535 29.4852 179.2153 52 L 3.9880 8.1586 120.4689 57.7506 42.1847 178.8464 53 W 4.2405 8.1720 129.5928 60.2518 30.5355 177.6891 54 E 4.2356 8.7396 117.4232 58.9126 29.3166 178.2711 55 E 4.5928 8.0208 115.8562 56.3727 30.7768 177.3512 56 T 4.3643 7.7913 105.8443 60.2739 71.4839 175.2875 57 G 2.8409 7.8891 109.7943 45.0058 0.0000 174.1578 58 I 3.6216 7.2541 120.0406 61.7917 37.5160 174.9712 59 S 4.9705 8.5661 118.8353 57.0161 62.8299 172.7249 60 A 4.6658 8.2092 128.5470 51.2149 21.7590 174.9631 61 Q 4.6574 8.3202 119.0704 52.9967 31.1451 174.2975 62 P 4.3592 0.0000 0.0000 63.8175 31.9503 175.8478 63 Q 4.4677 8.7948 121.2437 57.5035 30.2045 175.6476 64 H 5.2086 8.1055 113.6223 53.9591 33.8277 172.1234 65 F 5.0698 9.2707 122.9334 57.5830 40.5320 176.4047 66 I 3.7665 8.1928 127.3004 62.5705 37.9327 176.0499 67 R 3.8381 5.8400 120.2129 55.9938 33.1643 172.0725 68 M 4.7362 8.3251 122.4761 53.9783 34.3933 174.3539 69 H 4.7999 8.7907 123.4034 54.3506 30.8826 173.8805 70 Q 4.9098 8.6545 124.9179 55.4122 30.1623 174.5232 71 W 5.0331 8.8156 132.9682 56.6647 34.9868 172.7538 72 I 4.6343 7.6896 126.1923 58.9585 39.0017 175.6411 73 A 3.3176 8.6275 130.8184 50.8388 18.9831 176.1970 74 P 4.2769 0.0000 0.0000 65.6117 31.1540 176.9226 75 D 4.7137 7.9718 116.0640 53.3028 39.8188 177.1423 76 K 4.2404 8.1807 116.4068 58.3618 30.2279 175.5187 77 T 4.1517 7.1335 117.0920 62.2349 69.6656 172.0786 78 P 4.9148 0.0000 0.0000 61.9624 33.5121 174.8454 79 F 5.5070 9.4452 122.8478 55.6368 42.9172 173.9863 80 L 4.8918 9.8006 124.0072 53.3753 43.6206 175.4853 81 R 5.1041 8.9016 126.0222 54.6529 32.2942 174.7358 82 F 4.9072 9.6527 127.1622 56.3476 40.7031 174.7615 83 L 4.8788 9.1300 127.5495 54.0751 43.4620 175.5456 84 F 5.4408 9.3968 124.2502 55.7415 42.8376 174.0731 85 A 5.4292 9.3225 122.2892 50.4710 22.1934 175.8415 86 I 4.7070 9.0214 121.7417 59.7511 41.1870 174.3120 87 E 4.8841 8.6335 127.5502 55.7124 29.9543 176.2796 88 L 4.7625 8.6084 124.6149 53.0592 43.7585 177.9237 89 E 4.0959 8.8544 121.5747 58.8172 29.9086 177.1883 90 Q 4.4943 7.3720 118.3388 54.3766 32.0471 173.6696 91 I 3.1899 8.8368 120.1343 60.3240 38.1514 174.6662 92 C 4.8120 7.7558 116.2825 55.1367 32.8382 171.5074 93 P 4.3785 0.0000 0.0000 63.5073 31.3679 175.9266 94 T 4.6419 7.6941 113.2958 60.7669 70.3175 173.3101 95 Q 4.1937 9.5304 124.2767 55.7939 31.0017 172.1930 96 P 3.4004 0.0000 0.0000 62.9758 32.3112 175.9930 97 H 4.0980 8.6661 115.0462 56.3113 26.5111 174.8340 98 D 4.3116 7.4808 119.4818 53.3295 42.4259 174.7927 99 S 4.6915 8.6935 122.7682 58.7883 61.8591 172.1769 100 D 4.5786 8.0000 134.6238 54.7103 43.8494 176.4372 101 I 4.5584 7.7865 120.4383 59.7896 37.2703 175.4838 102 D 4.4887 9.3812 127.4143 55.2369 41.2600 176.1959 103 C 4.9182 6.7687 111.0710 58.6534 33.1663 171.9238 104 C 5.1212 8.3310 115.0683 58.3075 31.4670 174.1048 105 R 4.4583 8.3208 121.0696 54.0796 33.3670 174.3808 106 W 5.0797 8.8129 124.2788 55.8413 30.1858 176.1559 107 V 4.7022 8.7520 123.5073 60.0797 34.9987 174.8976 108 S 4.8143 9.5657 117.8130 57.7292 64.2424 175.4419 109 A 3.7736 8.8485 122.2400 55.3366 17.8822 179.7523 110 E 3.9093 8.2029 115.7001 59.4102 29.4344 178.8080 111 E 4.2573 8.1309 118.8850 59.4503 29.9184 179.1519 112 I 3.9960 7.6307 119.0086 64.3821 36.9776 178.4621 113 L 3.9627 7.8456 118.5175 57.9489 41.6578 179.3123 114 Q 4.1385 8.9710 114.9900 56.2688 28.8756 176.1171 115 A 4.5710 7.2330 123.3992 51.1115 20.4399 177.4507 116 S 4.6618 8.3018 115.2904 58.4058 63.7402 174.1575 117 N 4.9628 7.2930 118.5447 52.4079 37.5337 174.3669 118 L 4.7255 7.8875 118.3149 55.4539 43.0276 178.1111 119 R 3.9056 9.2081 122.0981 58.0264 30.4132 176.4923 120 S 4.6668 7.4446 111.6115 57.5200 66.0019 176.0403 121 P 4.1526 0.0000 0.0000 65.5462 31.4335 178.7193 122 L 3.7447 7.1451 117.9063 57.2264 41.0749 178.5839 123 V 4.0083 7.3479 118.9546 65.3777 31.7277 177.2977 124 A 4.0448 7.7583 119.1754 55.3176 18.3434 178.9260 125 E 3.8024 7.7344 116.4701 59.9964 29.4798 179.7104 126 S 4.0832 8.2436 115.1025 62.1204 62.9380 177.2095 127 I 3.6038 7.5328 121.5447 64.1085 36.7228 178.7769 128 R 3.8539 7.7151 118.5124 59.3893 29.7848 178.3611 129 C 3.9488 8.0401 115.4259 63.3428 28.2425 175.3588 130 Y 4.1095 8.2932 120.8799 60.5331 38.0672 177.6638 131 Q 3.9524 7.7137 117.0163 56.7779 29.4002 177.5663 132 S 4.1568 7.5840 115.2900 59.7120 62.8738 175.3621 133 G 3.8470 7.3913 110.0769 45.0217 0.0000 173.9579 134 Q 3.8719 7.7608 117.7273 56.2216 29.0793 175.7860 135 R 4.2139 6.5426 112.9439 56.0008 31.4470 172.8950 136 Y 5.0002 8.3870 117.7552 55.5828 43.0281 173.1161 137 P 4.7944 0.0000 0.0000 62.4271 32.4525 177.8209 138 L 4.1212 8.8948 122.3300 58.0786 41.5445 179.4186 139 E 3.9686 8.3925 118.7784 59.2285 29.1816 178.0793 140 M 4.0203 7.6844 118.0848 57.7598 32.3298 177.1519 141 I 4.4622 7.5040 111.0359 60.2525 38.1099 175.8294 142 G 3.8699 7.7889 109.8504 45.4499 0.0000 174.0289 143 D 4.6517 8.0933 119.0041 52.8202 40.2764 175.5573 144 F 4.8462 8.4839 121.2034 58.1216 42.5825 174.3660 145 N 3.7338 7.7850 124.0707 53.5285 35.9856 174.8836 146 W 4.0773 7.9996 127.9359 56.9455 31.2122 173.7093 147 P 3.9979 0.0000 0.0000 63.7792 31.1040 175.7134 148 F 4.9664 6.6209 117.1606 55.8077 41.6486 174.4826 149 T 4.5683 8.3691 111.9977 60.8398 69.8651 175.6865 150 K 4.2809 8.3999 123.1920 56.5043 32.9555 176.1968 151 G 3.9616 8.5516 117.7264 45.2578 0.0000 171.6962 152 V 3.9759 7.9023 116.9054 63.0474 31.8021 174.5300 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 8.30 4.44 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.61 0.00 2 F 8.59 4.55 0.00 3.03 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 K 7.02 3.93 0.00 1.57 1.54 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.37 7.81 4 P 0.00 4.24 0.00 2.07 1.97 0.00 3.56 0.00 0.00 3.05 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 5 H 9.09 4.60 0.00 2.64 3.43 0.00 5.59 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.73 5.03 2.22 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 1.26 0.00 0.00 1.10 0.00 0.00 7 T 9.33 5.21 4.29 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 1.24 0.00 0.00 8 V 8.58 5.37 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 1.07 0.00 0.00 9 A 9.52 5.34 1.24 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 0.00 0.00 10 C 8.63 5.06 0.00 3.04 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 11 V 8.76 4.03 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 0.96 0.00 0.00 12 V 8.36 4.85 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 1.01 0.00 0.00 0.98 0.00 0.00 13 H 9.25 5.11 0.00 2.58 3.07 0.00 5.85 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 14 A 8.62 4.71 1.03 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 15 E 9.21 3.80 0.00 1.87 1.84 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 2.08 2.03 0.00 16 G 7.71 4.09 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 0.00 0.00 0.00 17 K 7.49 4.92 0.00 1.86 1.95 0.00 1.54 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.66 7.81 18 F 9.83 5.22 0.00 2.81 2.86 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 19 L 7.86 3.91 0.00 0.27 0.94 -0.18 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.93 4.44 1.59 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 0.50 0.00 0.00 0.77 0.00 0.00 21 V 8.56 4.70 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 0.56 0.00 0.00 0.94 0.00 0.00 22 E 8.85 5.35 0.00 2.22 1.89 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 2.35 2.58 0.00 23 E 9.32 5.42 0.00 1.94 1.83 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 2.48 2.11 0.00 24 T 8.13 5.53 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 1.35 0.00 0.00 25 I 8.37 4.41 1.91 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 1.44 1.20 0.95 0.00 0.00 26 N 8.46 4.35 0.00 2.85 1.91 0.00 0.00 6.81 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 27 G 9.02 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 0.00 0.00 0.00 28 K 8.42 4.54 0.00 1.79 1.75 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.33 7.81 29 A 8.48 4.99 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 30 L 9.42 4.99 0.00 1.51 1.52 0.91 0.63 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 31 W 8.86 6.05 0.00 3.26 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 32 N 8.43 5.26 0.00 2.81 2.58 0.00 0.00 7.08 7.59 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 33 Q 8.56 4.32 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 34 P 0.00 4.57 0.00 2.03 1.97 0.00 3.69 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 1.98 1.97 0.00 35 A 8.49 4.99 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 36 G 7.57 4.11 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 0.00 0.00 0.00 37 H 8.37 4.88 0.00 3.11 3.32 0.00 5.71 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.92 4.28 0.00 1.70 1.72 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.91 4.91 0.00 2.09 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 2.24 2.25 0.00 40 A 8.68 4.11 1.27 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 0.00 0.00 41 D 8.73 4.57 0.00 2.52 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 0.00 0.00 0.00 42 E 8.02 5.05 0.00 1.96 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 2.20 2.22 0.00 43 T 8.41 3.59 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 0.96 0.00 0.00 44 L 8.03 3.84 0.00 1.50 1.67 0.01 0.40 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 45 V 7.33 3.01 1.88 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 0.91 0.00 0.00 0.83 0.00 0.00 46 E 7.90 3.87 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 2.32 2.23 0.00 47 A 8.19 3.96 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 48 A 7.53 3.82 0.97 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 49 A 7.87 3.93 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 50 R 8.30 3.83 0.00 1.91 2.10 0.00 3.23 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 1.78 1.67 0.00 51 E 8.50 4.06 0.00 2.16 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 2.54 2.56 0.00 52 L 8.16 3.99 0.00 1.88 1.89 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 53 W 8.17 4.24 0.00 3.46 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 54 E 8.74 4.24 0.00 2.13 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 2.61 2.77 0.00 55 E 8.02 4.59 0.00 1.93 1.89 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 2.24 2.54 0.00 56 T 7.79 4.36 4.10 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 1.10 0.00 0.00 57 G 7.89 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 0.00 0.00 0.00 58 I 7.25 3.62 1.91 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.08 0.99 0.00 0.00 59 S 8.57 4.97 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 60 A 8.21 4.67 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 61 Q 8.32 4.66 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 62 P 0.00 4.36 0.00 2.00 2.12 0.00 3.54 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.88 0.00 63 Q 8.79 4.47 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.56 0.00 64 H 8.11 5.21 0.00 3.20 3.33 0.00 5.80 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 65 F 9.27 5.07 0.00 3.08 3.06 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 66 I 8.19 3.77 1.69 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.70 0.90 0.00 0.00 67 R 5.84 3.84 0.00 1.58 1.36 0.00 2.97 0.00 0.00 2.95 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.30 0.00 68 M 8.33 4.74 0.00 1.78 1.57 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.95 0.00 69 H 8.79 4.80 0.00 3.12 3.20 0.00 5.85 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 8.65 4.91 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.71 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 71 W 8.82 5.03 0.00 3.48 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 72 I 7.69 4.63 1.69 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.72 0.73 0.00 0.00 73 A 8.63 3.32 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 74 P 0.00 4.28 0.00 2.08 2.20 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 75 D 7.97 4.71 0.00 2.81 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 76 K 8.18 4.24 0.00 1.82 1.90 0.00 1.53 0.00 0.00 1.63 0.00 0.00 3.11 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.39 7.81 77 T 7.13 4.15 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 0.85 0.00 0.00 78 P 0.00 4.91 0.00 2.23 2.29 0.00 3.24 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 1.87 2.11 0.00 79 F 9.45 5.51 0.00 3.47 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 80 L 9.80 4.89 0.00 1.85 1.89 1.06 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.90 5.10 0.00 1.97 1.82 0.00 2.89 0.00 0.00 3.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 82 F 9.65 4.91 0.00 3.37 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 83 L 9.13 4.88 0.00 1.66 1.44 1.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 84 F 9.40 5.44 0.00 3.23 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 85 A 9.32 5.43 1.43 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 0.00 0.00 0.00 86 I 9.02 4.71 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.89 0.98 0.00 0.00 87 E 8.63 4.88 0.00 2.04 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 2.44 2.53 0.00 88 L 8.61 4.76 0.00 1.60 1.66 1.09 0.67 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 89 E 8.85 4.10 0.00 1.93 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 2.31 2.22 0.00 90 Q 7.37 4.49 0.00 1.88 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.97 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 91 I 8.84 3.19 0.56 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 -0.14 0.26 0.00 0.00 92 C 7.76 4.81 0.00 3.03 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 93 P 0.00 4.38 0.00 2.05 2.05 0.00 3.64 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 94 T 7.69 4.64 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 1.21 0.00 0.00 95 Q 9.53 4.19 0.00 1.79 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.48 0.00 0.00 0.00 0.00 0.00 1.97 2.10 0.00 96 P 0.00 3.40 0.00 1.99 1.84 0.00 3.76 0.00 0.00 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.03 0.00 97 H 8.67 4.10 0.00 3.16 3.32 0.00 5.73 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 D 7.48 4.31 0.00 2.71 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.69 4.69 0.00 4.03 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 0.00 100 D 8.00 4.58 0.00 2.87 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.79 4.56 1.83 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 1.54 0.77 0.93 0.00 0.00 102 D 9.38 4.49 0.00 2.79 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 0.00 103 C 6.77 4.92 0.00 3.02 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 0.00 104 C 8.33 5.12 0.00 2.69 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.32 4.46 0.00 1.04 1.26 0.00 3.14 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.04 0.00 106 W 8.81 5.08 0.00 3.09 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 0.00 107 V 8.75 4.70 1.84 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 0.67 0.00 0.00 0.89 0.00 0.00 108 S 9.57 4.81 0.00 4.28 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 0.00 109 A 8.85 3.77 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 0.00 110 E 8.20 3.91 0.00 2.20 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 2.40 2.38 0.00 111 E 8.13 4.26 0.00 2.22 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 0.00 2.47 2.44 0.00 112 I 7.63 4.00 1.88 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.01 0.89 0.00 0.00 113 L 7.85 3.96 0.00 1.70 1.71 0.89 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 8.97 4.14 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 115 A 7.23 4.57 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 0.00 116 S 8.30 4.66 0.00 3.76 3.79 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 0.00 117 N 7.29 4.96 0.00 2.51 2.60 0.00 0.00 6.23 6.67 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 0.00 118 L 7.89 4.73 0.00 1.59 1.60 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 119 R 9.21 3.91 0.00 1.88 1.93 0.00 3.35 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 1.67 1.61 0.00 120 S 7.44 4.67 0.00 3.53 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 0.00 121 P 0.00 4.15 0.00 2.04 2.10 0.00 3.59 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 2.22 2.14 0.00 122 L 7.15 3.74 0.00 1.06 1.29 -0.35 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 123 V 7.35 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 1.15 0.00 0.00 0.99 0.00 0.00 124 A 7.76 4.04 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 0.00 125 E 7.73 3.80 0.00 2.04 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 2.23 2.36 0.00 126 S 8.24 4.08 0.00 4.10 3.89 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 0.00 127 I 7.53 3.60 1.79 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 -0.36 0.71 0.00 0.00 128 R 7.72 3.85 0.00 2.02 1.94 0.00 3.24 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 129 C 8.04 3.95 0.00 3.11 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 0.00 130 Y 8.29 4.11 0.00 3.18 3.25 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 0.00 131 Q 7.71 3.95 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.75 0.00 0.00 0.00 0.00 0.00 2.54 2.72 0.00 132 S 7.58 4.16 0.00 3.97 4.13 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 0.00 133 G 7.39 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 0.00 0.00 0.00 134 Q 7.76 3.87 0.00 1.83 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.25 0.00 135 R 6.54 4.21 0.00 1.61 1.71 0.00 2.77 0.00 0.00 2.92 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.27 0.00 136 Y 8.39 5.00 0.00 3.10 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 0.00 137 P 0.00 4.79 0.00 2.18 2.06 0.00 3.83 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 138 L 8.89 4.12 0.00 1.74 1.80 1.04 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.39 3.97 0.00 2.11 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 2.42 2.47 0.00 140 M 7.68 4.02 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.72 0.00 141 I 7.50 4.46 1.67 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 -0.09 0.79 0.00 0.00 142 G 7.79 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 0.00 143 D 8.09 4.65 0.00 2.87 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 0.00 0.00 0.00 0.00 144 F 8.48 4.85 0.00 2.97 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 0.00 145 N 7.79 3.73 0.00 2.48 2.57 0.00 0.00 6.97 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 0.00 146 W 8.00 4.08 0.00 3.40 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 0.00 147 P 0.00 4.00 0.00 1.28 1.60 0.00 2.20 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.08 0.00 148 F 6.62 4.97 0.00 3.22 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 0.00 149 T 8.37 4.57 4.29 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 1.27 0.00 0.00 150 K 8.40 4.28 0.00 1.84 2.03 0.00 1.60 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.67 7.81 151 G 8.55 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 0.00 152 V 7.90 3.98 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 0.81 0.00 0.00 0.93 0.00 0.00