NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9916 8.2133 108.0406 46.2255 0.0000 172.4878 2 I 4.8310 7.5844 119.3881 59.2699 40.2670 174.4190 3 F 4.5064 9.9110 129.7861 55.6948 41.0694 174.6729 4 A 5.2326 8.2345 125.6668 50.3678 21.0674 175.7460 5 F 4.8448 9.3436 118.7976 55.7236 43.7350 173.7375 6 E 5.2463 8.9390 119.7875 54.8953 32.6324 175.0573 7 N 5.2077 9.3609 119.6211 51.8180 43.6684 173.0087 8 E 5.0911 8.5581 120.5557 54.7624 33.2649 174.1519 9 Q 4.6181 8.8669 127.2233 54.2335 32.0636 174.5839 10 S 4.9547 8.8511 121.2245 58.4930 64.5834 173.3394 11 S 4.9140 9.1905 115.5162 57.2200 65.7933 174.6369 12 T 4.3177 8.7005 114.0580 62.2723 69.4501 175.2682 13 V 3.7463 7.8198 123.1966 62.2196 32.2819 176.0420 14 A 4.4891 8.4194 129.4869 50.9696 20.0227 176.3885 15 P 4.2469 0.0000 0.0000 66.1126 31.4919 178.9179 16 A 4.0998 8.0421 118.5180 55.1992 18.3365 179.7282 17 K 3.9925 8.0259 116.5278 59.4164 32.2753 179.2038 18 L 3.9728 8.3234 121.0043 58.2750 41.8811 178.2935 19 Y 3.9925 8.4580 119.8652 60.5488 38.7323 178.0269 20 K 3.7924 8.3798 120.2886 59.5457 32.1300 178.5638 21 A 4.0172 7.8811 119.6212 55.1279 18.3624 179.1577 22 L 3.9892 7.4910 115.9790 56.3454 42.2062 176.9051 23 T 3.8449 7.2597 106.4490 61.2519 71.1190 175.7836 24 K 3.6888 8.3391 123.3681 58.5899 33.0881 177.0173 25 D 4.8092 7.9948 116.0836 54.0952 41.4361 178.3668 26 S 3.9492 7.8526 116.8503 61.4857 62.6146 176.0088 27 D 4.2620 7.9681 121.4292 56.9435 40.6219 177.9230 28 E 4.1824 7.8421 115.9426 58.3052 30.4946 178.3478 29 I 3.3658 7.3972 120.9804 63.8957 37.1268 178.0282 30 V 3.4079 7.7892 119.4913 65.8726 30.9887 176.3995 31 P 4.3008 0.0000 0.0000 65.2393 31.2543 178.2722 32 K 4.0495 7.6149 116.2408 58.0031 32.0869 178.3932 33 V 4.3122 7.3308 116.4182 62.0933 33.5532 175.1342 34 I 4.3183 7.6760 120.1455 58.3116 37.2183 175.0135 35 E 3.8559 8.7561 125.8325 58.8012 29.8059 176.9434 36 P 4.3419 0.0000 0.0000 64.7007 31.6875 175.9305 37 I 4.4381 7.6939 120.1408 61.1567 37.2812 175.5566 38 Q 4.4118 9.1634 126.0012 58.2380 29.7368 176.0245 39 S 4.5541 7.5325 110.9312 57.5197 66.5891 173.9143 40 V 4.7414 8.2134 119.3373 61.3054 33.7477 174.1149 41 E 4.6942 9.2837 128.0918 54.3000 32.5481 175.5702 42 I 4.2456 8.4458 125.3618 61.7170 37.1860 176.1494 43 V 4.2362 8.6615 120.8842 61.3718 32.7329 175.8578 44 E 4.5495 8.1556 120.1203 56.4025 32.8536 175.6666 45 G 4.2988 9.2178 110.7702 45.8117 0.0000 172.1458 46 N 4.8859 8.6126 114.5873 53.0924 39.3742 175.0450 47 G 4.0610 8.6501 107.5965 44.6710 0.0000 175.0932 48 G 4.0640 7.4709 109.3619 44.0295 0.0000 171.3744 49 P 4.4122 0.0000 0.0000 63.9464 31.9023 177.6642 50 G 4.1028 8.8438 107.7660 46.4189 0.0000 174.7402 51 T 4.2316 7.5562 116.9980 64.0101 69.5850 173.3208 52 I 5.0537 8.6811 126.7207 59.5199 40.0287 174.7461 53 K 5.0254 9.5115 125.9187 54.4252 35.8532 174.9420 54 K 4.7030 9.2810 126.3560 55.0205 34.0888 175.1240 55 I 4.7331 8.7885 130.1249 60.0213 38.5694 174.9207 56 I 4.7469 8.4895 129.2701 60.5967 38.4232 175.4037 57 A 5.1093 9.2842 127.7877 50.7809 23.3615 174.9363 58 I 5.1293 8.2843 119.2325 58.4191 37.6630 175.6574 59 H 4.2841 8.6675 127.8100 57.2648 27.5261 172.0748 60 D 4.0461 9.3810 119.5937 56.2314 36.2057 173.3852 61 G 4.3311 8.2989 119.2081 43.2845 0.0000 171.2979 62 H 5.0022 7.7495 114.0636 52.6614 32.5201 173.8010 63 T 4.5729 8.3443 112.4590 62.1177 69.5954 173.9294 64 S 4.8121 9.4788 118.8682 58.3685 66.3678 171.9503 65 F 6.0511 8.1844 112.9090 57.5157 41.0913 173.0444 66 V 4.6615 8.4468 117.2498 60.0480 35.0353 174.0654 67 L 5.2250 8.8946 122.9372 53.7122 43.8066 174.9757 68 H 5.4961 9.3477 123.0793 54.2245 33.4112 171.9164 69 K 5.0917 8.8213 125.6201 54.4679 35.5240 174.4264 70 L 4.5731 9.0556 130.1247 54.9925 42.5114 176.6700 71 D 4.6312 9.0157 126.8150 56.4809 42.1802 176.8956 72 A 4.5963 7.6487 116.0763 51.2412 22.4052 175.2622 73 I 5.0741 8.3898 119.8909 59.8477 41.6637 174.7050 74 D 4.6632 9.5492 128.4234 52.6202 42.2892 175.2652 75 E 3.9772 9.1679 124.1440 58.2229 30.0692 179.5285 76 A 3.9571 8.1518 120.6514 54.5192 18.5196 177.6063 77 N 4.7273 8.1351 110.0368 52.1342 39.3747 174.4354 78 L 2.4400 7.3378 118.0594 55.8248 40.0057 173.8804 79 T 5.5310 7.7529 106.8970 60.4672 72.2971 173.0039 80 Y 5.4193 9.0658 120.0413 56.3339 41.9077 172.9926 81 N 5.4575 9.7210 120.7767 51.6622 42.2367 173.0579 82 Y 5.4203 8.4247 119.8503 56.0338 42.3079 173.7562 83 S 5.1684 9.2051 115.1410 56.9719 67.9829 173.2678 84 I 4.9930 9.1604 124.0029 60.2210 38.1843 176.1469 85 I 4.4855 8.6198 120.4007 59.9989 38.7677 175.2442 86 G 3.7869 8.2397 111.3824 46.5955 0.0000 173.3638 87 G 3.9726 7.8763 106.2405 44.9983 0.0000 172.8152 88 E 3.8395 7.8760 117.7536 57.5081 29.7964 177.1184 89 G 3.9137 8.8583 109.0768 45.2351 0.0000 173.3640 90 L 4.2909 7.1451 121.0337 53.3921 41.8493 175.3926 91 D 4.4441 8.6471 125.8915 54.1989 41.7462 177.4196 92 E 4.0098 8.7322 125.0724 59.0171 29.9556 177.9181 93 S 4.3927 8.8801 112.6677 59.1803 63.7169 173.2453 94 L 5.0781 7.4314 121.1820 53.6759 42.6486 176.6651 95 E 4.3418 9.8269 124.2852 58.8072 30.3116 176.7871 96 K 4.4352 7.3690 115.7477 56.5671 35.6679 173.7065 97 I 4.7296 8.3063 121.3931 59.5848 40.0740 174.9345 98 S 5.0021 8.6429 123.3335 56.8467 65.6799 172.7798 99 Y 4.7859 8.8522 121.2097 56.0104 41.3067 174.5517 100 E 4.6422 9.2557 123.0651 54.8703 32.5438 175.0852 101 S 5.3944 8.7778 121.2455 56.7209 66.4947 173.5485 102 K 5.1426 8.9723 123.1124 55.2740 35.9270 174.6546 103 I 4.9457 8.7991 128.6563 60.0047 38.4307 175.2288 104 L 4.8107 8.9082 127.5945 52.2135 44.6633 174.3170 105 P 4.6064 0.0000 0.0000 62.7614 32.0474 175.9704 106 G 4.3157 8.4762 110.8425 43.4857 0.0000 170.8306 107 P 4.5650 0.0000 0.0000 63.2264 31.9050 176.0236 108 D 4.2821 9.1612 116.8633 55.7692 37.9846 174.9900 109 G 3.9379 8.2801 104.1545 46.2433 0.0000 174.9766 110 G 4.1877 7.6617 110.5780 44.7466 0.0000 172.3950 111 S 5.3185 8.8135 114.0469 57.4988 67.5076 172.9908 112 I 4.9773 8.9948 119.8896 59.6392 41.0195 175.0173 113 G 4.1742 9.2319 115.2524 44.8207 0.0000 172.5437 114 K 4.9322 8.9007 126.7000 54.7180 34.3272 175.6741 115 I 4.8477 8.8650 126.8577 59.4695 40.2553 174.1569 116 N 5.3178 9.2536 127.6422 51.9882 40.5421 173.6279 117 V 4.4141 8.5846 126.8004 59.7884 34.1466 174.9922 118 K 4.9235 8.7757 124.0126 54.6117 35.2170 175.1548 119 F 4.6103 9.4456 125.5775 56.8803 40.4396 175.0817 120 H 5.1711 9.2190 123.1803 54.6832 29.1984 174.6796 121 T 4.7002 8.6578 114.2558 60.8205 69.5819 175.6442 122 K 4.1214 9.5965 123.6319 58.6450 32.7363 176.8328 123 G 4.4176 7.8397 108.3915 44.2956 0.0000 172.4203 124 D 4.8238 8.7151 119.7739 54.1211 41.3968 176.2796 125 V 4.3029 7.5545 118.9439 60.7072 33.8003 174.5078 126 L 3.9694 7.5872 128.6246 52.9954 41.9292 176.7227 127 S 4.1494 8.2312 121.8575 58.8458 64.6880 175.1067 128 E 3.5389 8.5773 122.6303 59.7380 29.0230 179.8237 129 T 3.8317 7.6588 114.9634 66.2313 68.7367 176.4474 130 V 3.5952 7.5579 120.1036 65.8055 31.5189 178.0761 131 R 3.1701 8.0885 117.4394 58.6277 29.7447 176.9940 132 D 4.8203 7.6300 119.0120 54.6073 41.3728 177.1950 133 Q 4.4558 8.4838 116.1814 53.4925 30.6844 180.6962 134 A 4.3681 7.7803 122.0782 56.1805 18.0965 179.3774 135 K 4.3051 8.2185 125.7668 58.0374 31.8081 184.7456 *136 F 4.2431 8.1272 119.0067 62.3271 38.1281 180.1204 137 K 4.4826 8.0622 117.9115 59.9633 32.0106 178.9177 138 G 3.8153 8.2155 104.2243 46.9004 0.0000 174.0289 139 L 4.8127 8.2529 118.4544 53.3247 42.8517 178.6593 140 G 3.8605 8.0633 107.4769 48.0290 0.0000 175.3381 141 L 3.9167 7.9756 122.7189 57.6473 42.1219 178.2944 142 F 4.0201 8.4460 119.9127 61.7120 39.1083 177.3031 143 K 4.0738 8.7546 117.7990 59.1470 31.8026 179.3034 144 A 3.9615 7.9239 120.8689 55.2380 18.3302 179.7259 145 I 3.5028 7.5543 118.1826 64.4236 37.1907 178.2409 146 E 3.8026 7.9781 120.3014 59.1308 29.2839 178.9704 147 G 3.6378 8.2841 105.9952 47.9660 0.0000 174.7616 148 Y 4.0627 7.9587 122.2205 60.5457 38.6078 178.4681 149 V 3.6362 7.7829 117.6949 65.7262 31.6421 177.3659 150 L 4.0502 8.2709 119.3246 58.2138 42.1356 178.5619 151 A 4.1666 7.9827 118.1030 53.3430 20.1370 177.0599 152 H 4.7353 8.1358 114.7695 53.2458 29.4334 172.4148 153 P 4.3181 0.0000 0.0000 65.7940 31.5894 177.4721 154 D 4.5321 7.9558 115.5106 53.6724 41.3030 175.2981 155 Y 4.4591 7.8101 121.7318 58.0422 37.6432 176.3236 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 G 8.21 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 2 I 7.58 4.83 1.66 0.00 0.00 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 1.16 0.71 0.67 0.00 0.00 3 F 9.91 4.51 0.00 3.18 3.04 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 4 A 8.23 5.23 1.07 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 0.00 0.00 5 F 9.34 4.84 0.00 3.04 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 6 E 8.94 5.25 0.00 1.83 1.82 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 2.18 2.29 0.00 7 N 9.36 5.21 0.00 2.64 2.63 0.00 0.00 6.28 7.23 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 8 E 8.56 5.09 0.00 1.89 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 0.00 2.17 2.39 0.00 9 Q 8.87 4.62 0.00 1.99 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.73 0.00 0.00 0.00 0.00 0.00 2.55 2.60 0.00 10 S 8.85 4.95 0.00 3.97 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 0.00 11 S 9.19 4.91 0.00 4.05 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 12 T 8.70 4.32 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 1.24 0.00 0.00 13 V 7.82 3.75 2.12 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 0.82 0.00 0.00 0.95 0.00 0.00 14 A 8.42 4.49 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 15 P 0.00 4.25 0.00 2.19 2.19 0.00 3.64 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.35 0.00 16 A 8.04 4.10 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 17 K 8.03 3.99 0.00 1.98 1.92 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.52 7.81 18 L 8.32 3.97 0.00 1.80 1.91 0.73 1.22 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 19 Y 8.46 3.99 0.00 3.22 3.18 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 20 K 8.38 3.79 0.00 2.09 2.00 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.48 7.81 21 A 7.88 4.02 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.49 3.99 0.00 1.39 1.39 1.18 0.80 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 23 T 7.26 3.84 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 -0.18 0.00 0.00 24 K 8.34 3.69 0.00 1.66 1.97 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.46 7.81 25 D 7.99 4.81 0.00 2.78 2.70 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 26 S 7.85 3.95 0.00 3.88 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 27 D 7.97 4.26 0.00 2.58 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 28 E 7.84 4.18 0.00 2.06 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 2.27 2.34 0.00 29 I 7.40 3.37 1.54 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.29 0.37 0.00 0.00 30 V 7.79 3.41 2.05 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 1.03 0.00 0.00 0.81 0.00 0.00 31 P 0.00 4.30 0.00 1.96 2.18 0.00 3.59 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 2.09 0.00 32 K 7.61 4.05 0.00 1.38 1.66 0.00 1.11 0.00 0.00 1.53 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.40 7.81 33 V 7.33 4.31 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 0.94 0.00 0.00 0.58 0.00 0.00 34 I 7.68 4.32 1.92 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 1.15 0.49 0.90 0.00 0.00 35 E 8.76 3.86 0.00 1.88 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 2.30 2.42 0.00 36 P 0.00 4.34 0.00 2.23 2.11 0.00 3.67 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 2.13 2.12 0.00 37 I 7.69 4.44 2.02 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.45 0.87 0.00 0.00 38 Q 9.16 4.41 0.00 1.88 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.64 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 39 S 7.53 4.55 0.00 3.82 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.21 4.74 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.85 0.00 0.00 41 E 9.28 4.69 0.00 1.81 1.76 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 2.17 2.20 0.00 42 I 8.45 4.25 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.43 0.93 0.00 0.00 43 V 8.66 4.24 2.03 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 0.61 0.00 0.00 0.94 0.00 0.00 44 E 8.16 4.55 0.00 2.00 1.73 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 2.28 2.30 0.00 45 G 9.22 4.30 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 46 N 8.61 4.89 0.00 2.63 2.75 0.00 0.00 7.24 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 47 G 8.65 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 48 G 7.47 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 49 P 0.00 4.41 0.00 2.22 2.22 0.00 3.72 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 50 G 8.84 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 0.00 0.00 0.00 0.00 51 T 7.56 4.23 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 1.25 0.00 0.00 52 I 8.68 5.05 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.95 1.01 0.00 0.00 53 K 9.51 5.03 0.00 1.58 1.59 0.00 1.41 0.00 0.00 1.54 0.00 0.00 2.73 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.33 7.81 54 K 9.28 4.70 0.00 1.65 1.57 0.00 1.28 0.00 0.00 1.40 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 0.81 7.81 55 I 8.79 4.73 2.03 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.46 0.91 0.00 0.00 56 I 8.49 4.75 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.80 0.95 0.00 0.00 57 A 9.28 5.11 1.23 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 0.00 0.00 0.00 58 I 8.28 5.13 1.88 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 1.12 1.85 0.95 0.00 0.00 59 H 8.67 4.28 0.00 3.05 3.26 0.00 6.08 0.00 0.00 0.00 0.00 6.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 D 9.38 4.05 0.00 2.87 2.54 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 61 G 8.30 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 62 H 7.75 5.00 0.00 3.16 3.19 0.00 5.62 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.34 4.57 4.30 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 1.24 0.00 0.00 64 S 9.48 4.81 0.00 3.73 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 65 F 8.18 6.05 0.00 3.15 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 66 V 8.45 4.66 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 0.95 0.00 0.00 1.05 0.00 0.00 67 L 8.89 5.22 0.00 1.84 1.73 1.07 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.35 5.50 0.00 3.25 3.07 0.00 5.54 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 69 K 8.82 5.09 0.00 1.89 1.62 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.38 7.81 70 L 9.06 4.57 0.00 1.91 1.61 1.20 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 71 D 9.02 4.63 0.00 2.71 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 72 A 7.65 4.60 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 73 I 8.39 5.07 2.03 0.00 0.00 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 1.43 1.31 1.00 0.00 0.00 74 D 9.55 4.66 0.00 2.75 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 E 9.17 3.98 0.00 2.18 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 2.61 2.68 0.00 76 A 8.15 3.96 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 N 8.14 4.73 0.00 2.69 2.81 0.00 0.00 7.02 7.85 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 78 L 7.34 2.44 0.00 1.73 1.36 0.96 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.75 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 1.31 0.00 0.00 80 Y 9.07 5.42 0.00 3.26 3.20 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 81 N 9.72 5.46 0.00 2.62 2.74 0.00 0.00 6.25 7.49 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 82 Y 8.42 5.42 0.00 2.87 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 83 S 9.21 5.17 0.00 3.74 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 84 I 9.16 4.99 2.01 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.17 1.01 0.00 0.00 85 I 8.62 4.49 1.91 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 1.39 0.74 0.94 0.00 0.00 86 G 8.24 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 87 G 7.88 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 0.00 0.00 0.00 88 E 7.88 3.84 0.00 1.83 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 2.23 2.16 0.00 89 G 8.86 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 90 L 7.15 4.29 0.00 1.61 1.76 0.99 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 91 D 8.65 4.44 0.00 2.81 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.73 4.01 0.00 1.94 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 2.29 2.36 0.00 93 S 8.88 4.39 0.00 4.02 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 94 L 7.43 5.08 0.00 1.76 1.72 1.13 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 95 E 9.83 4.34 0.00 1.99 2.03 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 2.36 2.30 0.00 96 K 7.37 4.44 0.00 1.90 1.85 0.00 1.34 0.00 0.00 1.74 0.00 0.00 2.45 0.00 0.00 2.28 0.00 0.00 0.00 0.00 1.20 1.22 7.81 97 I 8.31 4.73 1.79 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 1.12 1.01 -0.17 0.00 0.00 98 S 8.64 5.00 0.00 3.61 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 8.85 4.79 0.00 1.60 2.34 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 0.00 100 E 9.26 4.64 0.00 1.78 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 101 S 8.78 5.39 0.00 3.39 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 K 8.97 5.14 0.00 1.86 1.64 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.47 7.81 103 I 8.80 4.95 2.02 0.00 0.00 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 1.65 1.34 1.07 0.00 0.00 104 L 8.91 4.81 0.00 1.58 1.58 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 4.61 0.00 1.95 2.00 0.00 3.63 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 2.03 2.10 0.00 106 G 8.48 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 0.00 0.00 0.00 0.00 107 P 0.00 4.56 0.00 2.21 1.99 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 108 D 9.16 4.28 0.00 2.85 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 0.00 109 G 8.28 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 0.00 0.00 0.00 110 G 7.66 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 0.00 0.00 0.00 0.00 111 S 8.81 5.32 0.00 3.98 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 0.00 112 I 8.99 4.98 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.75 0.95 0.00 0.00 113 G 9.23 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 0.00 114 K 8.90 4.93 0.00 1.73 1.74 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.41 7.81 115 I 8.87 4.85 1.86 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 1.15 0.70 1.04 0.00 0.00 116 N 9.25 5.32 0.00 2.79 2.74 0.00 0.00 6.39 7.29 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 0.00 117 V 8.58 4.41 1.76 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 1.03 0.00 0.00 -0.31 0.00 0.00 118 K 8.78 4.92 0.00 1.51 1.59 0.00 1.55 0.00 0.00 1.58 0.00 0.00 2.75 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.23 1.23 7.81 119 F 9.45 4.61 0.00 3.24 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 0.00 120 H 9.22 5.17 0.00 3.24 3.31 0.00 5.60 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 T 8.66 4.70 4.34 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 1.40 0.00 0.00 122 K 9.60 4.12 0.00 1.74 1.94 0.00 1.84 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.50 1.50 7.81 123 G 7.84 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 0.00 0.00 0.00 124 D 8.72 4.82 0.00 2.73 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.55 4.30 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 0.72 0.00 0.00 0.95 0.00 0.00 126 L 7.59 3.97 0.00 0.27 0.76 0.57 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 127 S 8.23 4.15 0.00 4.00 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 0.00 128 E 8.58 3.54 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 2.33 2.29 0.00 129 T 7.66 3.83 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 1.17 0.00 0.00 130 V 7.56 3.60 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 0.48 0.00 0.00 0.86 0.00 0.00 131 R 8.09 3.17 0.00 1.54 1.77 0.00 3.22 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.43 0.00 132 D 7.63 4.82 0.00 2.74 2.59 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 0.00 133 Q 8.48 4.46 0.00 1.87 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.84 0.00 0.00 0.00 0.00 0.00 2.18 2.15 0.00 134 A 7.78 4.37 0.72 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 0.00 135 K 8.22 4.31 0.00 1.78 1.66 0.00 1.83 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.07 7.81 *136 F 8.13 4.24 0.00 2.27 2.37 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 0.00 137 K 8.06 4.48 0.00 2.11 2.17 0.00 1.98 0.00 0.00 2.07 0.00 0.00 3.18 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.65 1.66 7.81 138 G 8.22 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 0.00 0.00 0.00 139 L 8.25 4.81 0.00 1.73 1.81 0.95 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.06 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 0.00 141 L 7.98 3.92 0.00 1.75 1.71 0.85 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 142 F 8.45 4.02 0.00 3.29 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 0.00 143 K 8.75 4.07 0.00 1.99 1.93 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.23 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.70 1.85 7.81 144 A 7.92 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 0.00 145 I 7.55 3.50 1.68 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.43 0.72 0.00 0.00 146 E 7.98 3.80 0.00 1.31 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 2.16 2.28 0.00 147 G 8.28 3.64 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 0.00 0.00 0.00 148 Y 7.96 4.06 0.00 2.98 3.04 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 0.00 149 V 7.78 3.64 2.20 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 0.97 0.00 0.00 0.98 0.00 0.00 150 L 8.27 4.05 0.00 1.69 1.82 0.92 1.07 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 0.00 151 A 7.98 4.17 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 0.00 152 H 8.14 4.74 0.00 2.45 2.98 0.00 5.83 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.32 0.00 2.15 2.19 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 154 D 7.96 4.53 0.00 2.60 2.67 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 0.00 0.00 0.00 0.00 155 Y 7.81 4.46 0.00 3.26 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 * Residues marked with a * may have inaccurate shift predictions.