NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.5032 0.0000 0.0000 61.9303 33.4643 175.1993 3 E 4.3159 8.9021 125.4885 56.0982 30.0769 174.7812 4 I 4.1389 9.4964 130.1676 61.3423 38.6998 175.2034 5 R 4.5239 8.6107 125.0513 55.1705 32.0218 175.0470 6 L 4.8724 8.3706 123.1801 53.4990 42.9963 176.2701 7 R 4.2366 9.5068 126.4031 58.8490 30.4099 175.7686 8 H 4.8119 7.7123 111.6541 54.5032 32.3796 171.5272 9 V 4.1639 8.1407 119.1136 62.1965 31.2433 175.7837 10 V 3.9540 8.8636 129.8204 65.8285 32.0881 175.9159 11 S 4.6529 7.6643 112.1588 57.9164 66.1627 173.5146 12 C 4.9505 8.1802 120.3392 58.4464 33.5543 174.0070 13 S 4.3764 9.6002 122.3950 61.0255 63.5285 174.7245 14 S 4.5798 8.0187 110.5037 57.6340 64.8494 174.5262 15 Q 5.5840 8.4077 123.1520 55.6961 31.0284 173.4086 16 D 4.7337 8.4699 119.1074 53.2652 42.4116 176.6162 17 S 4.3003 8.5791 117.7858 60.9807 63.5716 175.5375 18 T 4.1857 8.0706 109.6992 63.8657 69.7095 175.6348 19 H 4.9686 8.1252 122.4831 53.0485 27.3685 174.1927 20 C 5.0278 7.7253 117.9097 56.1034 32.3155 175.5240 21 A 3.5181 9.7753 125.6151 55.9547 17.6337 180.4702 22 E 3.8862 8.2263 116.0833 61.3082 29.4223 181.3197 23 N 4.7561 8.0415 113.8723 55.5989 38.6576 176.3492 24 L 4.4503 7.8803 119.2935 55.6195 42.1757 177.7419 25 L 4.1761 7.6223 118.5445 56.7433 41.9708 177.7311 26 K 4.5784 7.7634 117.0179 54.2288 35.6871 177.0885 27 A 4.1927 8.6162 126.1381 54.7285 18.7343 178.9499 28 D 4.1931 8.0377 115.1003 57.7249 39.8644 178.3044 29 T 3.6511 7.3298 114.2307 64.6469 68.5495 175.2513 30 Y 4.0043 6.9701 115.3788 58.8501 35.8927 169.3198 31 R 4.7532 7.3252 117.9624 54.5519 32.3284 175.8232 32 K 4.9682 8.4367 119.6120 54.6208 35.8734 174.5697 33 W 5.2376 8.9703 132.0503 55.9882 33.0155 174.8874 34 R 4.6194 8.9071 124.6683 53.7824 33.9620 174.5306 35 A 4.1969 7.8398 122.4280 51.7124 18.9346 179.0065 36 A 4.2728 8.8144 124.1130 54.6085 18.7555 178.4151 37 K 4.6251 7.2097 113.0072 54.3169 36.2935 176.1466 38 A 4.1589 8.3182 123.9734 53.5014 18.8722 178.3251 39 G 3.9279 8.9774 108.7528 45.2714 0.0000 173.3291 40 E 4.2900 7.8965 119.5441 55.4718 29.8347 176.7444 41 K 4.3220 8.8110 124.7087 59.3631 33.1834 177.0238 42 T 5.5310 7.7918 107.4419 60.4066 71.9359 173.1303 43 I 4.8916 8.9805 115.4499 59.9488 41.7899 173.5908 44 S 5.3388 9.3191 116.2476 57.4288 66.2695 173.1528 45 V 4.6598 8.4656 117.5243 59.6321 36.3300 174.1222 46 V 4.5502 8.5090 124.5643 61.1729 33.6429 174.1908 47 L 4.9546 8.9952 128.1601 53.0043 44.4533 175.1305 48 Q 4.7814 8.8906 125.1961 54.7752 30.2787 175.1111 49 L 4.5680 8.6819 127.3146 54.6684 42.0403 177.2915 50 E 4.3033 8.7704 121.9860 58.8973 29.8742 177.2534 51 K 4.7481 7.7309 115.6348 54.5438 36.3419 175.8500 52 E 4.4035 8.6944 122.1753 56.6062 30.2500 175.5718 53 E 4.8070 9.6726 125.3496 55.0723 35.2341 173.6304 54 Q 4.8699 8.6393 122.6045 55.4399 30.8323 174.2125 55 I 4.7628 8.5555 127.2486 60.9254 37.8533 174.7500 56 H 4.7343 9.8824 128.0036 57.9390 31.1493 174.9139 57 S 5.0383 7.9813 110.4794 57.0213 66.5128 173.0731 58 V 4.7660 9.0640 123.6641 61.6275 34.7164 173.4514 59 D 5.4789 9.2458 128.6115 52.9200 43.3221 175.5995 60 I 4.4427 8.9165 123.3832 59.3678 40.8089 174.6561 61 G 3.5616 7.5579 115.0602 44.0780 0.0000 172.7969 62 N 4.6328 8.8490 125.9983 52.8981 40.7872 174.3091 63 D 4.7193 8.0479 117.0050 53.2575 40.9718 176.1665 64 G 4.1237 8.6380 106.6600 45.4358 0.0000 173.3161 65 S 4.1312 7.7130 115.0084 58.0554 63.8970 173.8418 66 A 4.3193 8.7160 124.9471 53.3495 20.3614 177.4104 67 F 5.5444 7.8947 112.0938 55.8828 43.7784 174.4971 68 V 4.9054 9.1956 120.8766 61.2568 35.0829 173.7099 69 E 5.1117 9.5977 128.0606 54.3160 33.3335 174.3394 70 V 4.9117 8.4800 125.2104 61.1395 34.5385 174.2940 71 L 5.2616 9.2283 127.1024 53.1213 45.6573 175.7441 72 V 4.5530 8.5732 113.8270 59.8999 35.6317 175.3870 73 G 3.8502 8.4775 109.3992 45.5012 0.0000 171.0865 74 S 6.0923 8.5597 113.3210 55.4910 64.7899 174.7876 75 S 4.2619 9.2831 119.0897 59.9407 63.5683 174.4159 76 A 4.0271 7.8615 125.5179 52.9542 18.4342 177.2547 77 G 3.7228 9.2833 111.1035 46.3394 0.0000 175.2889 78 G 3.7917 8.4565 109.8682 44.4212 0.0000 173.5170 79 A 4.3424 8.2466 121.6542 50.9515 19.8344 176.4199 80 G 4.0569 8.8412 112.5315 44.5389 0.0000 173.8989 81 E 3.9399 8.7663 117.6211 59.9585 29.3825 179.6456 82 Q 4.2874 8.0634 113.2661 56.4688 28.3699 176.1982 83 D 4.6004 7.7095 119.3874 55.2904 42.3322 176.3355 84 Y 4.2713 7.2781 117.7455 57.4502 38.4857 175.4099 85 E 4.2847 8.7913 125.9347 55.4653 31.5219 175.3138 86 V 3.9608 8.1963 125.3590 62.8726 32.0590 174.8196 87 L 4.3521 8.6386 129.4189 56.3484 44.0963 175.2970 88 L 5.0071 7.8415 123.7571 52.6725 43.8024 176.0766 89 V 3.9928 8.4339 126.2271 61.6966 32.3588 175.7661 90 T 4.0630 8.4067 117.9909 64.7490 68.8161 173.2868 91 S 4.9942 9.3871 122.9410 56.6453 66.1686 173.5751 92 S 4.9444 8.7716 118.2893 58.1958 62.7624 173.5623 93 F 4.7263 9.0279 122.6915 57.1376 41.0859 174.8290 94 M 4.6977 7.6717 116.5824 53.2282 35.0815 174.6890 95 S 4.3331 8.7607 121.3801 56.6502 65.8708 173.7750 96 P 3.4217 0.0000 0.0000 65.4905 30.9247 179.0922 97 S 4.0405 7.7501 113.2548 61.6843 62.8287 176.5282 98 E 3.9247 8.0754 121.0491 59.5392 28.9856 179.5075 99 S 4.1334 8.1550 114.2462 61.8142 62.9682 176.8125 100 R 4.0929 8.2488 120.3269 58.8045 29.9426 178.5204 101 S 4.5265 8.1724 111.9483 58.1335 63.5974 175.1362 102 G 3.8622 8.4777 110.6078 46.0780 0.0000 173.4850 103 S 4.2703 7.9153 114.8920 58.9425 64.1271 174.0771 104 N 4.1632 8.5832 120.5461 54.2149 35.6473 172.7765 105 P 4.4904 0.0000 0.0000 63.6538 33.1956 179.0067 106 N 5.0390 7.8950 115.2098 51.9107 39.8104 174.7685 107 R 4.0652 8.1166 121.0068 57.1642 31.0227 175.2774 108 V 5.0103 8.4954 125.6731 60.1844 33.6261 175.3198 109 R 4.4711 9.2881 123.0222 54.4862 33.8552 173.7587 110 M 4.7366 8.2711 123.0305 54.0501 34.2273 175.2390 111 F 4.6778 9.3277 124.3438 55.7848 42.3432 175.3699 112 G 4.3705 8.4801 114.1121 43.7473 0.0000 171.0438 113 P 4.3554 0.0000 0.0000 65.3533 31.3383 178.5557 114 D 4.1984 8.0634 116.3475 55.1076 39.7702 177.0117 115 K 4.4111 7.9259 117.4157 56.3536 32.7785 176.4530 116 L 4.6367 7.0939 118.8898 53.1648 43.1230 176.7790 117 V 3.8483 8.5907 115.5023 61.5815 31.9954 177.9956 118 R 4.0862 8.6709 123.3168 58.1411 29.9122 178.9081 119 A 3.9906 7.9965 119.8371 55.2387 18.7129 179.0423 120 A 4.4495 8.0714 118.6297 55.2941 18.4221 179.2892 121 A 4.2770 8.2882 117.8450 54.3652 18.5062 178.9086 122 E 4.1180 8.0185 117.3460 57.7375 29.9432 176.6633 123 K 4.2942 7.4637 117.5094 55.3174 34.0192 176.2276 124 R 4.7000 7.6757 119.5513 54.7198 31.9886 175.9855 125 W 5.4219 9.2184 121.8018 55.2847 34.3376 174.9868 126 D 5.0323 8.9302 116.4797 52.9367 41.2030 174.9243 127 R 5.1730 8.3795 118.2515 54.6930 34.4730 174.8164 128 V 4.5626 8.6207 121.4391 61.2950 35.0948 173.5436 129 K 4.7078 9.2028 130.1480 54.7470 34.3087 174.6785 130 I 4.9016 8.5946 128.6257 59.5717 39.9586 174.5337 131 V 4.8850 9.0004 127.8958 61.3388 33.7579 173.9628 132 C 5.4388 9.2236 125.5747 58.1949 31.1145 173.1554 133 S 5.0753 9.0678 118.3781 57.1534 66.6148 173.4211 134 Q 4.4046 8.3343 123.8582 54.6959 28.8986 172.3613 135 P 4.2835 0.0000 0.0000 63.3679 32.1534 176.7423 136 Y 4.5586 7.5436 114.5792 58.5445 38.4550 175.6994 137 S 4.5223 7.7424 113.9153 57.2868 65.2237 173.4176 138 K 4.5749 8.5827 125.6292 56.3771 32.3719 176.9737 139 D 4.5533 7.7934 121.4928 56.7503 40.9700 176.7569 140 S 4.7457 7.5652 112.4059 55.8018 66.9994 171.9657 141 P 4.3946 0.0000 0.0000 62.7629 31.8466 175.6787 142 F 5.0912 7.6896 114.8847 54.9310 42.0043 174.3445 143 G 3.6238 7.3097 110.0362 46.2553 0.0000 173.0086 144 L 4.7803 7.8874 123.4439 53.1034 45.2784 177.4743 145 S 4.4328 9.4911 117.9586 60.8542 63.3288 173.5855 146 F 5.1297 7.5040 112.4428 56.3984 41.2036 173.0276 147 V 4.8527 8.3860 117.5602 60.5475 34.1564 173.9826 148 R 4.6203 8.8874 123.2294 54.4054 33.3544 174.4509 149 F 5.3299 8.7878 122.1697 56.2280 42.0052 174.4565 150 H 5.5532 8.9631 118.2643 54.1144 32.6604 173.5329 151 S 5.5214 9.1672 117.7440 56.2934 64.4334 172.1834 152 P 4.2660 0.0000 0.0000 62.2718 31.9032 175.0409 153 P 4.3929 0.0000 0.0000 62.8934 31.3790 176.3520 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 2 P 0.00 4.50 0.00 2.13 2.07 0.00 3.85 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 2.03 2.11 0.00 3 E 8.90 4.32 0.00 2.12 1.90 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 2.44 2.38 0.00 4 I 9.50 4.14 2.02 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 1.30 0.83 1.00 0.00 0.00 5 R 8.61 4.52 0.00 1.87 1.85 0.00 3.11 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 6 L 8.37 4.87 0.00 1.65 1.58 1.12 0.91 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 7 R 9.51 4.24 0.00 1.80 2.14 0.00 3.31 0.00 0.00 3.34 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 8 H 7.71 4.81 0.00 3.17 3.32 0.00 5.50 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.14 4.16 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 0.60 0.00 0.00 0.81 0.00 0.00 10 V 8.86 3.95 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 0.82 0.00 0.00 0.80 0.00 0.00 11 S 7.66 4.65 0.00 3.85 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 12 C 8.18 4.95 0.00 2.76 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 13 S 9.60 4.38 0.00 3.91 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 14 S 8.02 4.58 0.00 3.84 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 15 Q 8.41 5.58 0.00 2.41 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 16 D 8.47 4.73 0.00 2.80 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.58 4.30 0.00 4.01 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.07 4.19 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 1.17 0.00 0.00 19 H 8.13 4.97 0.00 3.31 3.45 0.00 5.61 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 C 7.73 5.03 0.00 3.31 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 21 A 9.78 3.52 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.23 3.89 0.00 1.98 1.99 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 2.32 1.99 0.00 23 N 8.04 4.76 0.00 3.05 3.08 0.00 0.00 6.99 7.99 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 24 L 7.88 4.45 0.00 1.65 1.77 0.91 1.23 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 25 L 7.62 4.18 0.00 1.63 1.74 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.76 4.58 0.00 1.73 1.60 0.00 1.63 0.00 0.00 1.95 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.39 7.81 27 A 8.62 4.19 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 28 D 8.04 4.19 0.00 2.53 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 29 T 7.33 3.65 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 1.18 0.00 0.00 30 Y 6.97 4.00 0.00 3.31 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 31 R 7.33 4.75 0.00 1.96 2.00 0.00 3.14 0.00 0.00 3.43 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 32 K 8.44 4.97 0.00 1.74 1.83 0.00 1.62 0.00 0.00 1.97 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.50 7.81 33 W 8.97 5.24 0.00 3.45 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 34 R 8.91 4.62 0.00 1.64 1.52 0.00 3.02 0.00 0.00 3.02 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.37 0.00 35 A 7.84 4.20 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.81 4.27 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 37 K 7.21 4.63 0.00 1.87 1.65 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.51 7.81 38 A 8.32 4.16 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 39 G 8.98 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 0.00 0.00 0.00 40 E 7.90 4.29 0.00 1.99 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 0.00 2.32 2.31 0.00 41 K 8.81 4.32 0.00 1.72 1.84 0.00 1.60 0.00 0.00 1.84 0.00 0.00 2.74 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.47 1.43 7.81 42 T 7.79 5.53 4.41 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 1.22 0.00 0.00 43 I 8.98 4.89 1.89 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 0.90 0.50 0.65 0.00 0.00 44 S 9.32 5.34 0.00 3.92 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 45 V 8.47 4.66 1.54 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 -0.94 0.00 0.00 0.23 0.00 0.00 46 V 8.51 4.55 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.67 0.00 0.00 47 L 9.00 4.95 0.00 1.45 1.45 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.89 4.78 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.96 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 49 L 8.68 4.57 0.00 1.65 1.57 0.96 0.71 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 50 E 8.77 4.30 0.00 1.88 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 2.36 2.27 0.00 51 K 7.73 4.75 0.00 1.69 1.73 0.00 1.59 0.00 0.00 1.86 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.42 7.81 52 E 8.69 4.40 0.00 1.99 1.87 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 2.37 2.34 0.00 53 E 9.67 4.81 0.00 1.92 1.81 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 2.24 2.48 0.00 54 Q 8.64 4.87 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 55 I 8.56 4.76 2.04 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 1.36 0.84 1.18 0.00 0.00 56 H 9.88 4.73 0.00 3.20 3.57 0.00 5.93 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.98 5.04 0.00 3.99 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 9.06 4.77 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.15 0.00 0.00 59 D 9.25 5.48 0.00 2.83 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 60 I 8.92 4.44 2.29 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 1.37 1.65 0.53 0.00 0.00 61 G 7.56 3.56 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 0.00 0.00 0.00 62 N 8.85 4.63 0.00 2.90 2.89 0.00 0.00 6.29 8.00 0.00 0.00 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 D 8.05 4.72 0.00 2.83 2.50 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 64 G 8.64 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.71 4.13 0.00 3.96 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.72 4.32 1.13 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 0.00 0.00 67 F 7.89 5.54 0.00 2.95 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 68 V 9.20 4.91 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 0.93 0.00 0.00 0.45 0.00 0.00 69 E 9.60 5.11 0.00 1.99 1.71 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 2.15 2.33 0.00 70 V 8.48 4.91 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.99 0.00 0.00 71 L 9.23 5.26 0.00 1.47 1.63 0.87 0.70 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 72 V 8.57 4.55 0.67 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 0.40 0.00 0.00 -0.06 0.00 0.00 73 G 8.48 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 74 S 8.56 6.09 0.00 3.95 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 75 S 9.28 4.26 0.00 4.03 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 76 A 7.86 4.03 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 77 G 9.28 3.72 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 0.00 0.00 0.00 78 G 8.46 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 0.00 0.00 0.00 79 A 8.25 4.34 1.11 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 80 G 8.84 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 81 E 8.77 3.94 0.00 2.04 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 2.44 2.31 0.00 82 Q 8.06 4.29 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 83 D 7.71 4.60 0.00 2.65 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 0.00 0.00 0.00 0.00 84 Y 7.28 4.27 0.00 3.04 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.79 4.28 0.00 1.78 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 2.36 2.30 0.00 86 V 8.20 3.96 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 0.82 0.00 0.00 0.90 0.00 0.00 87 L 8.64 4.35 0.00 1.65 1.55 1.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.84 5.01 0.00 1.65 1.38 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 89 V 8.43 3.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.92 0.00 0.00 90 T 8.41 4.06 4.19 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 1.14 0.00 0.00 91 S 9.39 4.99 0.00 3.88 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 92 S 8.77 4.94 0.00 4.00 3.72 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 93 F 9.03 4.73 0.00 2.82 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 94 M 7.67 4.70 0.00 1.85 2.05 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 95 S 8.76 4.33 0.00 3.92 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 96 P 0.00 3.42 0.00 1.85 1.55 0.00 3.28 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.73 0.00 97 S 7.75 4.04 0.00 3.79 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 98 E 8.08 3.92 0.00 2.10 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 2.28 2.28 0.00 99 S 8.15 4.13 0.00 4.01 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 0.00 100 R 8.25 4.09 0.00 1.96 1.98 0.00 3.15 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.80 0.00 101 S 8.17 4.53 0.00 4.01 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 0.00 102 G 8.48 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 0.00 103 S 7.92 4.27 0.00 3.85 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 8.58 4.16 0.00 2.80 2.84 0.00 0.00 7.04 8.02 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 0.00 105 P 0.00 4.49 0.00 2.07 2.07 0.00 3.56 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 2.09 2.34 0.00 106 N 7.90 5.04 0.00 2.61 2.85 0.00 0.00 7.20 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 0.00 107 R 8.12 4.07 0.00 1.94 1.98 0.00 3.31 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 108 V 8.50 5.01 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 0.97 0.00 0.00 1.09 0.00 0.00 109 R 9.29 4.47 0.00 1.60 1.07 0.00 2.55 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.23 0.00 110 M 8.27 4.74 0.00 1.90 1.88 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.55 0.00 111 F 9.33 4.68 0.00 3.13 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 0.00 112 G 8.48 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 0.00 0.00 0.00 0.00 113 P 0.00 4.36 0.00 2.17 2.05 0.00 3.58 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 2.02 1.64 0.00 114 D 8.06 4.20 0.00 2.81 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 0.00 115 K 7.93 4.41 0.00 2.01 2.11 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.18 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.46 7.81 116 L 7.09 4.64 0.00 1.51 1.77 1.06 0.96 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 0.00 117 V 8.59 3.85 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 0.82 0.00 0.00 1.02 0.00 0.00 118 R 8.67 4.09 0.00 1.89 2.01 0.00 3.16 0.00 0.00 3.37 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 119 A 8.00 3.99 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 0.00 120 A 8.07 4.45 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 0.00 121 A 8.29 4.28 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.02 4.12 0.00 2.29 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 2.40 0.00 123 K 7.46 4.29 0.00 1.02 1.13 0.00 1.90 0.00 0.00 1.55 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.30 1.54 7.81 124 R 7.68 4.70 0.00 1.46 1.72 0.00 3.09 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.00 125 W 9.22 5.42 0.00 3.14 3.24 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 0.00 126 D 8.93 5.03 0.00 2.67 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 0.00 127 R 8.38 5.17 0.00 1.88 1.98 0.00 3.29 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 128 V 8.62 4.56 1.74 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 0.62 0.00 0.00 0.42 0.00 0.00 129 K 9.20 4.71 0.00 0.96 1.24 0.00 0.64 0.00 0.00 1.04 0.00 0.00 2.65 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.09 1.04 7.81 130 I 8.59 4.90 1.94 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.05 1.03 0.00 0.00 131 V 9.00 4.89 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 0.96 0.00 0.00 0.89 0.00 0.00 132 C 9.22 5.44 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 0.00 133 S 9.07 5.08 0.00 3.88 3.70 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 0.00 0.00 0.00 134 Q 8.33 4.40 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.94 0.00 0.00 0.00 0.00 0.00 1.91 2.30 0.00 135 P 0.00 4.28 0.00 1.41 1.81 0.00 3.08 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.91 0.00 136 Y 7.54 4.56 0.00 3.07 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 S 7.74 4.52 0.00 3.85 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 0.00 138 K 8.58 4.57 0.00 1.77 1.80 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.41 7.81 139 D 7.79 4.55 0.00 2.63 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 0.00 140 S 7.57 4.75 0.00 3.82 3.71 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 0.00 141 P 0.00 4.39 0.00 1.97 2.05 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 142 F 7.69 5.09 0.00 3.14 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 0.00 143 G 7.31 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.89 4.78 0.00 1.76 1.53 1.01 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 145 S 9.49 4.43 0.00 4.03 4.08 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 0.00 146 F 7.50 5.13 0.00 3.18 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 0.00 147 V 8.39 4.85 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 0.84 0.00 0.00 0.55 0.00 0.00 148 R 8.89 4.62 0.00 1.96 1.78 0.00 3.17 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 149 F 8.79 5.33 0.00 3.01 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 0.00 150 H 8.96 5.55 0.00 3.18 3.21 0.00 5.61 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 S 9.17 5.52 0.00 3.88 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 0.00 152 P 0.00 4.27 0.00 1.98 2.08 0.00 3.73 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 153 P 0.00 4.39 0.00 2.01 1.93 0.00 3.60 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00