NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1737 8.1727 122.0491 56.2599 34.0951 173.9593 2 V 4.5841 8.1584 127.1018 60.6071 32.6009 174.4703 3 F 4.4404 10.1001 129.0291 57.6936 40.1769 174.7251 4 E 4.3081 9.1771 120.8380 55.2518 31.3245 176.2957 5 R 3.3236 9.0312 119.4232 61.1544 29.8783 179.2632 6 C 4.3064 8.0374 115.5185 59.7490 40.9250 175.8783 7 E 3.8832 8.0838 120.7431 59.1779 29.3797 178.4683 8 L 3.6142 8.0708 120.2122 57.7888 42.0536 178.4767 9 A 3.9148 7.9086 120.7844 55.5306 18.2304 179.9393 10 R 3.8799 7.9498 116.3160 59.6114 29.9861 179.3968 11 T 3.8643 7.8951 115.5774 66.6490 68.5318 176.7125 12 L 3.8397 8.3162 121.2378 57.4390 41.6449 179.3983 13 K 3.9140 8.1356 119.6536 59.6829 31.9496 179.1184 14 R 3.9965 8.1068 117.4199 58.8688 29.9987 178.0809 15 L 4.3560 7.2792 116.4775 54.4810 41.6746 177.3666 16 G 3.8938 7.8529 107.0275 46.3635 0.0000 174.9070 17 M 3.9651 7.7891 121.0326 56.6406 32.2548 175.4647 18 D 4.5322 7.9737 117.2622 56.4131 40.4692 175.6588 19 G 3.9529 9.5910 115.6807 45.0857 0.0000 170.9254 20 Y 4.2072 8.2147 121.8661 59.0125 39.0144 176.5642 21 R 3.5200 8.9775 127.0047 57.2553 27.8098 177.2371 22 G 3.8256 8.3390 103.3813 45.7655 0.0000 173.9570 23 I 4.0264 7.6155 122.2654 59.5106 37.9194 176.0413 24 S 4.6813 8.3068 120.7147 57.8575 64.9728 174.9959 25 L 4.1955 8.6466 123.4734 58.4359 41.9559 178.7574 26 A 4.1338 8.2097 120.2378 55.3910 18.2250 179.2909 27 N 4.4884 8.1314 114.7564 56.4153 38.6226 177.7549 28 W 4.2912 7.9809 120.1240 60.0161 29.0759 178.5811 29 M 4.1187 8.5394 119.1171 58.3954 31.3892 177.9903 30 C 3.1813 8.0185 118.7532 58.9799 44.1805 175.2431 31 L 4.0120 8.1869 121.7852 58.3549 41.7537 178.8420 32 A 4.2853 8.3595 122.0400 54.3455 18.2880 179.4504 33 K 2.9501 8.0689 118.1128 59.4435 32.0935 179.1954 34 W 4.2267 7.8303 117.3675 59.1017 29.0449 178.3315 35 E 4.3633 8.3550 118.9016 58.6270 29.3050 177.6920 36 S 4.5222 7.8695 109.2168 56.6237 64.8189 174.3557 37 G 3.3357 8.2465 108.8835 47.0203 0.0000 173.4660 38 Y 3.6604 7.7009 113.3256 58.6044 35.3773 168.6862 39 N 5.2217 7.6082 119.7713 51.9779 39.7654 175.7992 40 T 4.0582 8.9854 117.6154 64.1410 69.0610 175.8835 41 R 4.4015 8.3097 119.4734 55.7282 30.6856 176.2611 42 A 4.3547 7.6366 121.7961 52.7322 19.3797 177.0665 43 T 5.5326 8.1688 109.7360 60.7432 72.2396 172.8847 44 N 4.8902 8.3727 121.6227 52.5555 42.3154 172.2116 45 Y 4.8822 8.7805 127.7517 57.0653 40.9736 173.8305 46 N 4.7605 8.4651 124.5431 51.1205 39.0508 175.1904 47 A 3.6108 8.2268 127.6351 54.7897 18.9022 179.1646 48 G 3.7234 8.0428 104.0783 48.0007 0.0000 173.8017 49 D 4.7594 7.5761 115.1705 51.9532 40.1187 175.6137 50 R 4.0090 8.1353 116.7779 57.2181 28.0849 175.7305 51 S 5.0027 7.8257 110.9378 56.9983 66.7911 172.4276 52 T 5.1605 9.0802 115.5930 62.0485 73.0463 172.8785 53 D 5.3947 9.0298 124.9262 53.1570 43.1718 175.1179 54 Y 4.9212 9.0988 120.9958 57.3978 41.7603 177.3974 55 G 4.5930 8.8378 111.5429 45.9756 0.0000 173.6846 56 I 4.1357 8.0173 116.3912 62.8447 37.9393 177.6258 57 F 4.8549 7.9014 115.7915 56.4198 40.0175 175.2040 58 Q 3.6171 7.8403 119.1803 57.0953 26.4586 173.7240 59 I 4.4729 8.3459 119.2350 60.8509 39.4971 176.8173 60 N 5.3843 9.1716 125.7784 53.4452 39.7214 175.8706 61 S 4.5457 9.1879 120.6738 61.1703 63.3740 175.5201 62 R 3.7563 8.8143 122.2576 58.7591 30.3337 177.8806 63 Y 4.2361 7.8216 114.1415 57.5086 40.7006 176.8876 64 W 5.0582 8.1069 118.6656 57.7326 31.1010 174.0816 65 C 5.6828 8.2202 111.4264 53.6915 45.2994 172.8952 66 N 5.0819 8.9230 119.0943 51.9854 40.5343 174.7460 67 D 4.8475 8.6291 123.2879 52.1312 40.4075 177.8342 68 G 4.0270 8.8225 107.3049 46.3626 0.0000 174.6337 69 K 4.4964 8.0790 116.6051 56.5763 32.6733 175.6134 70 T 4.6549 7.6165 117.1384 61.1974 69.9245 172.1867 71 P 4.3496 0.0000 0.0000 64.2788 31.6720 176.0468 72 G 3.9874 8.7995 110.5173 46.2039 0.0000 172.9476 73 A 4.3103 7.3324 118.8070 51.4426 19.5766 177.8838 74 V 4.2913 8.4413 112.8830 59.4588 35.2771 176.2613 75 N 4.9449 8.0894 117.2070 52.0464 37.9662 174.5212 76 A 3.9707 9.1536 125.5426 54.5984 19.0540 178.3985 77 C 4.6075 8.6002 111.1091 57.0425 41.1281 173.0458 78 H 4.0563 7.7958 116.5638 56.7606 26.4647 174.0541 79 L 4.8658 8.2722 117.4388 52.7717 46.3295 176.7202 80 S 4.6318 8.3479 115.2047 58.0252 63.2777 176.0442 81 C 4.0580 8.7946 124.5849 59.7548 40.0559 176.4318 82 S 3.8670 7.7653 114.5394 61.1572 61.6619 175.9104 83 A 4.0303 7.9070 122.6891 54.3107 17.8525 177.8977 84 L 4.4729 7.7770 116.5050 54.9590 41.7952 177.5485 85 L 5.0282 7.9552 117.3373 54.5253 42.4419 176.6869 86 Q 4.3963 7.7910 117.6396 55.2210 29.7012 175.9266 87 D 4.4323 8.5563 120.0830 57.2511 41.1393 177.0657 88 N 4.5454 8.0460 117.9162 53.3920 39.4331 174.7552 89 I 4.2270 8.4211 118.2550 60.8103 38.1184 177.0057 90 A 3.9342 8.1315 124.4633 56.0758 18.2164 179.9326 91 D 4.3070 8.0958 116.2878 57.4509 40.8567 178.7989 92 A 4.1276 7.9592 120.9054 55.0043 18.3979 179.7521 93 V 3.4238 8.1769 117.0747 66.0015 31.6099 178.1704 94 A 3.8307 8.0369 120.6151 55.2306 18.1331 178.8477 95 C 4.2572 8.3723 116.8524 59.6412 41.3296 175.5792 96 A 3.9944 8.3123 122.8628 55.0693 17.7012 179.8062 97 K 3.8546 7.9396 117.0694 59.4536 31.8092 179.4338 98 R 3.9475 7.6413 117.9274 59.4272 30.3576 178.3780 99 V 2.7338 7.5782 117.9136 65.8032 30.9494 178.1606 100 V 3.8600 7.8447 110.6099 63.0660 31.2471 178.0767 101 R 4.1830 7.5978 117.2721 57.1848 30.4324 176.4943 102 D 4.7167 7.4968 119.4572 52.6659 41.8631 175.3058 103 P 4.2248 0.0000 0.0000 66.3587 30.8679 177.9169 104 Q 3.9825 8.1848 117.5814 56.2937 29.8328 177.4027 105 G 3.8722 8.0075 107.1859 46.4752 0.0000 175.2176 106 I 3.3840 7.8453 118.3962 63.9160 37.8509 178.2723 107 R 4.2637 7.1043 117.0622 57.7408 29.9718 177.4399 108 A 4.1048 7.7011 120.6030 53.6995 18.6306 177.6356 109 W 4.5736 8.1692 116.5644 55.4921 29.2264 177.0810 110 I 3.8270 8.6373 124.5457 64.0518 37.3141 177.4506 111 A 4.0307 8.2947 121.2839 54.6128 18.1218 179.2565 112 W 3.9923 8.5006 127.2441 60.5725 30.3362 178.3411 113 R 3.7986 8.2987 117.5216 59.5291 29.4157 178.6333 114 N 4.3261 8.2263 114.8641 55.4665 38.6314 176.1126 115 R 4.2699 7.8232 115.1015 55.6852 31.7206 175.3350 116 C 4.5688 7.8952 114.3617 57.6699 42.7950 174.9324 117 Q 3.0950 5.9337 116.7501 57.1093 28.8194 175.4751 118 N 4.1749 8.5463 121.3047 54.6109 36.3557 173.9019 119 R 4.5492 7.5955 113.4663 54.1521 33.7756 175.7929 120 D 4.5688 8.4461 119.3883 53.9361 40.2375 175.7935 121 V 4.5220 8.0988 118.1102 61.0665 32.4428 178.3661 122 R 4.0092 8.0986 122.2091 59.4233 29.9602 178.9144 123 Q 4.0106 8.1399 113.9950 59.2540 28.3059 177.8105 124 Y 4.3591 7.7694 115.4823 60.2051 38.3126 176.7940 125 V 4.3449 7.9080 110.8807 60.7858 32.6702 175.5383 126 Q 4.2019 8.0218 120.3928 57.1963 28.8127 176.5902 127 G 3.9130 8.8862 110.1745 46.3701 0.0000 174.4252 128 C 4.4786 8.1069 114.9954 56.2551 40.5356 174.4122 129 G 3.9085 8.1196 107.2304 46.2666 0.0000 174.3063 130 V 3.9782 7.7629 118.0042 61.1247 31.8663 175.8398 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 K 8.17 4.17 0.00 2.05 1.64 0.00 1.25 0.00 0.00 1.03 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.92 1.15 7.81 2 V 8.16 4.58 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 0.91 0.00 0.00 0.94 0.00 0.00 3 F 10.10 4.44 0.00 2.85 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 9.18 4.31 0.00 2.05 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 2.31 2.25 0.00 5 R 9.03 3.32 0.00 2.00 1.91 0.00 3.44 0.00 0.00 3.49 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.86 0.00 6 C 8.04 4.31 0.00 3.01 3.12 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 7 E 8.08 3.88 0.00 2.06 2.24 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 2.57 2.40 0.00 8 L 8.07 3.61 0.00 1.40 1.38 -0.28 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.91 3.91 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 10 R 7.95 3.88 0.00 1.89 1.99 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 11 T 7.90 3.86 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 12 L 8.32 3.84 0.00 1.69 1.55 0.89 0.43 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 13 K 8.14 3.91 0.00 1.90 1.93 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.49 7.81 14 R 8.11 4.00 0.00 1.91 1.97 0.00 3.20 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 15 L 7.28 4.36 0.00 1.56 1.56 0.88 0.87 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 16 G 7.85 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 0.00 0.00 0.00 17 M 7.79 3.97 0.00 1.28 1.93 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.22 0.00 18 D 7.97 4.53 0.00 2.69 2.69 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 19 G 9.59 3.95 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 0.00 0.00 0.00 20 Y 8.21 4.21 0.00 3.35 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 21 R 8.98 3.52 0.00 1.67 1.80 0.00 2.29 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.42 0.00 22 G 8.34 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.62 4.03 1.68 0.00 0.00 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 0.86 0.67 -0.22 0.00 0.00 24 S 8.31 4.68 0.00 4.11 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 25 L 8.65 4.20 0.00 2.04 1.80 0.99 1.05 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 26 A 8.21 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.13 4.49 0.00 2.78 2.79 0.00 0.00 6.97 9.01 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 28 W 7.98 4.29 0.00 3.46 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 29 M 8.54 4.12 0.00 2.06 2.29 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.89 0.00 30 C 8.02 3.18 0.00 2.76 3.21 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 31 L 8.19 4.01 0.00 1.91 1.88 0.65 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.36 4.29 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.07 2.95 0.00 1.77 1.66 0.00 0.61 0.00 0.00 0.99 0.00 0.00 2.65 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.10 0.37 7.81 34 W 7.83 4.23 0.00 3.36 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 35 E 8.35 4.36 0.00 2.05 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 0.00 2.57 2.52 0.00 36 S 7.87 4.52 0.00 4.08 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 37 G 8.25 3.34 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 0.00 38 Y 7.70 3.66 0.00 3.25 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 39 N 7.61 5.22 0.00 2.77 2.86 0.00 0.00 7.00 7.10 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 40 T 8.99 4.06 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 41 R 8.31 4.40 0.00 1.96 2.03 0.00 3.18 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 42 A 7.64 4.35 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 43 T 8.17 5.53 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 1.32 0.00 0.00 44 N 8.37 4.89 0.00 2.88 2.83 0.00 0.00 6.68 7.56 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 45 Y 8.78 4.88 0.00 3.02 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 46 N 8.47 4.76 0.00 2.63 2.59 0.00 0.00 6.64 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.23 3.61 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 48 G 8.04 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 49 D 7.58 4.76 0.00 2.71 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 50 R 8.14 4.01 0.00 2.05 2.20 0.00 3.11 0.00 0.00 3.20 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.53 0.00 51 S 7.83 5.00 0.00 3.88 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 52 T 9.08 5.16 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 53 D 9.03 5.39 0.00 2.69 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 54 Y 9.10 4.92 0.00 2.93 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 55 G 8.84 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 56 I 8.02 4.14 1.67 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.42 0.06 0.00 0.00 57 F 7.90 4.85 0.00 3.19 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 58 Q 7.84 3.62 0.00 2.54 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.80 0.00 0.00 0.00 0.00 0.00 2.51 2.70 0.00 59 I 8.35 4.47 2.15 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.19 1.13 0.00 0.00 60 N 9.17 5.38 0.00 3.02 3.07 0.00 0.00 6.97 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 9.19 4.55 0.00 4.07 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.81 3.76 0.00 1.55 1.39 0.00 2.59 0.00 0.00 2.79 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.91 0.00 63 Y 7.82 4.24 0.00 1.54 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 0.00 0.00 0.00 0.00 64 W 8.11 5.06 0.00 3.47 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 C 8.22 5.68 0.00 3.03 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 66 N 8.92 5.08 0.00 2.85 2.70 0.00 0.00 7.03 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 67 D 8.63 4.85 0.00 2.96 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 68 G 8.82 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.08 4.50 0.00 1.89 1.89 0.00 1.57 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.44 7.81 70 T 7.62 4.65 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 1.21 0.00 0.00 71 P 0.00 4.35 0.00 2.01 2.00 0.00 3.83 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 72 G 8.80 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 A 7.33 4.31 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 74 V 8.44 4.29 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 0.62 0.00 0.00 0.88 0.00 0.00 75 N 8.09 4.94 0.00 2.75 2.57 0.00 0.00 6.78 8.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 9.15 3.97 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 77 C 8.60 4.61 0.00 3.29 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 78 H 7.80 4.06 0.00 3.31 3.36 0.00 5.79 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 79 L 8.27 4.87 0.00 1.69 1.50 1.00 0.70 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 80 S 8.35 4.63 0.00 3.83 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 C 8.79 4.06 0.00 2.29 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 82 S 7.77 3.87 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 83 A 7.91 4.03 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 84 L 7.78 4.47 0.00 1.93 1.81 1.08 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.96 5.03 0.00 1.77 1.70 1.11 1.39 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 86 Q 7.79 4.40 0.00 2.24 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.47 7.08 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 87 D 8.56 4.43 0.00 2.62 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.05 4.55 0.00 2.69 2.74 0.00 0.00 6.92 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.42 4.23 1.72 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.72 0.95 0.00 0.00 90 A 8.13 3.93 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 91 D 8.10 4.31 0.00 2.74 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.96 4.13 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 93 V 8.18 3.42 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.88 0.00 0.00 94 A 8.04 3.83 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 C 8.37 4.26 0.00 3.17 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.31 3.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.94 3.85 0.00 1.73 1.41 0.00 1.26 0.00 0.00 0.77 0.00 0.00 2.20 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.30 0.97 7.81 98 R 7.64 3.95 0.00 1.86 2.20 0.00 3.47 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 99 V 7.58 2.73 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 -0.23 0.00 0.00 -0.54 0.00 0.00 100 V 7.84 3.86 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 1.09 0.00 0.00 1.47 0.00 0.00 101 R 7.60 4.18 0.00 2.00 2.05 0.00 3.24 0.00 0.00 3.39 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.13 0.00 102 D 7.50 4.72 0.00 3.08 2.62 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 0.00 103 P 0.00 4.22 0.00 2.15 2.20 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 104 Q 8.18 3.98 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.90 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 105 G 8.01 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 0.00 106 I 7.85 3.38 0.95 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.08 -0.84 0.00 0.00 107 R 7.10 4.26 0.00 2.05 2.04 0.00 3.22 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.54 0.00 108 A 7.70 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.17 4.57 0.00 3.63 3.28 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 0.00 110 I 8.64 3.83 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 1.63 1.94 1.00 0.00 0.00 111 A 8.29 4.03 1.53 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 0.00 0.00 112 W 8.50 3.99 0.00 3.49 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 R 8.30 3.80 0.00 2.14 2.00 0.00 3.27 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 114 N 8.23 4.33 0.00 2.69 2.73 0.00 0.00 6.92 8.37 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 0.00 115 R 7.82 4.27 0.00 1.12 0.87 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.11 0.00 116 C 7.90 4.57 0.00 1.50 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 5.93 3.09 0.00 0.93 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.74 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 118 N 8.55 4.17 0.00 2.78 2.80 0.00 0.00 6.83 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 0.00 119 R 7.60 4.55 0.00 1.80 1.77 0.00 3.28 0.00 0.00 3.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.35 0.00 120 D 8.45 4.57 0.00 2.63 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.10 4.52 2.44 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 1.06 0.00 0.00 1.06 0.00 0.00 122 R 8.10 4.01 0.00 2.00 2.01 0.00 3.17 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 123 Q 8.14 4.01 0.00 1.97 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 7.11 0.00 0.00 0.00 0.00 0.00 2.02 1.59 0.00 124 Y 7.77 4.36 0.00 3.28 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 0.00 125 V 7.91 4.34 2.14 0.00 0.00 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 1.06 0.00 0.00 126 Q 8.02 4.20 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.19 0.00 0.00 0.00 0.00 0.00 2.48 2.30 0.00 127 G 8.89 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 0.00 128 C 8.11 4.48 0.00 3.02 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 8.12 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 0.00 130 V 7.76 3.98 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 0.78 0.00 0.00 0.96 0.00 0.00