NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3830 8.3049 120.3485 54.8269 32.2472 174.9943 2 L 3.9245 8.1628 126.0512 54.8946 42.2340 176.5320 3 Q 4.3717 8.7864 117.9795 54.9497 30.5943 172.3339 4 P 3.9484 0.0000 0.0000 65.3401 32.6753 182.4193 5 K 4.5814 6.8156 124.5387 54.1802 32.8625 176.8062 6 R 3.5031 9.0242 115.1472 55.7323 28.3410 176.7622 7 T 3.7439 8.8444 112.4220 62.9925 67.8933 171.8832 8 K 4.4545 7.6107 120.1550 54.8466 35.7149 175.8264 9 F 4.5998 7.5713 118.6737 56.6595 38.5987 175.6258 10 R 4.4962 8.6113 116.1882 56.6832 29.0290 176.7626 11 K 4.2849 7.9328 117.7975 57.4712 33.0591 175.9621 12 M 3.5000 8.6096 120.2434 54.4422 30.5809 178.1183 13 H 4.2929 8.1625 113.8724 54.6422 27.0798 173.4939 14 K 4.8118 8.7213 116.9611 55.4322 35.9097 176.6955 15 G 3.8315 8.9535 105.0652 47.3083 0.0000 172.2722 16 R 3.2701 8.6080 116.7759 56.7410 29.9911 175.5134 17 N 4.8967 7.7410 120.4076 53.2266 37.3530 173.7996 18 R 4.5995 7.9606 123.2160 54.8247 32.9883 176.8031 19 G 4.0523 8.1160 110.4381 45.6080 0.0000 171.3389 20 L 4.6695 8.0257 121.7412 54.1148 47.2737 174.3956 21 A 4.6781 8.4805 125.2616 52.9504 20.9432 179.2122 22 Q 4.4810 9.1874 118.2796 55.4186 31.1734 174.8205 23 G 4.0631 8.1029 105.6029 45.4881 0.0000 173.7003 24 T 4.5921 8.1510 115.6910 61.5803 70.6422 173.7675 25 D 4.4324 8.6411 125.8052 54.5406 42.1814 175.8553 26 V 4.3057 7.5368 122.5893 63.6744 34.1432 173.9377 27 S 4.4374 7.6437 108.6384 58.3424 64.5312 175.9820 28 F 4.7166 8.3566 120.7751 57.0654 45.0296 174.4860 29 G 4.2334 7.3736 110.0215 45.0751 0.0000 172.7120 30 S 4.8838 9.2982 117.4034 58.7431 64.2996 174.5858 31 F 4.4858 7.7971 119.3165 57.3422 42.4099 172.7071 32 G 4.5499 8.4064 111.9130 44.4344 0.0000 171.7097 33 L 4.8221 8.5375 121.5091 53.0983 43.6548 174.8185 34 K 4.6387 8.6106 127.3455 55.5862 33.5553 175.6610 35 A 5.0188 8.2048 127.3547 50.6093 21.7182 176.3433 36 V 4.5250 8.4249 119.0895 61.0353 33.8513 174.6040 37 G 4.0444 8.7401 115.4027 45.1419 0.0000 173.0502 38 R 4.1404 8.4415 123.0078 57.0328 30.4695 175.3129 39 G 4.2994 8.3063 110.5494 45.2123 0.0000 173.8292 40 R 4.8184 8.2306 118.8254 54.6816 28.7675 175.4306 41 L 4.4133 8.1620 120.5946 54.6134 42.2842 175.2015 42 T 4.9957 8.1351 120.6210 59.8965 69.7622 174.7132 43 A 3.6019 8.3578 129.0361 55.5422 17.8343 180.1653 44 R 4.3204 7.8870 117.5273 59.0139 30.1291 178.7418 45 Q 3.9682 8.3931 118.2972 58.9513 28.8212 178.4094 46 I 3.6604 7.6437 120.2439 64.5215 36.8894 177.9472 47 E 3.8911 8.4839 119.4173 59.4896 29.0763 179.4935 48 A 4.0259 7.5434 119.2094 55.5245 18.7936 178.9367 49 A 3.9737 8.5544 119.8113 54.9104 18.3748 179.5988 50 R 3.8735 8.3765 114.8100 59.5835 30.3778 179.0723 51 R 3.9651 7.8903 117.3232 59.7433 29.7044 178.0460 52 A 4.1320 7.8876 118.8383 54.6781 18.4265 178.5345 53 M 4.2278 8.2654 118.0137 58.6735 32.7362 177.9688 54 T 3.9993 8.1975 108.1856 64.8980 69.1691 174.2083 55 R 3.7279 7.4285 120.1466 56.7737 30.3981 175.2407 56 A 3.7609 8.8536 125.3340 52.7426 16.8328 176.7648 57 V 4.5978 7.8832 117.1950 62.0232 33.9478 174.8536 58 K 4.4722 8.4217 117.4887 55.6194 33.7158 175.7635 59 R 4.4106 8.2567 118.3113 56.1712 29.8975 175.8519 60 Q 3.9662 8.2359 116.6645 57.5559 29.9860 178.6936 61 G 3.9416 8.6847 112.1669 46.5618 0.0000 172.2420 62 K 4.6940 8.2319 118.5801 55.0270 36.6998 175.7314 63 I 4.2809 8.0889 117.0276 59.8554 39.3716 175.2558 64 W 4.8665 8.7577 123.5982 57.3510 32.6135 175.1257 65 I 4.4582 8.3336 127.4221 62.3771 39.9509 174.2529 66 R 4.5009 8.7503 127.2662 57.2170 31.1524 177.4991 67 V 4.0143 7.6352 116.2458 61.4363 32.4253 175.4535 68 F 4.2574 8.2936 120.0836 56.6020 41.8071 172.1003 69 P 4.6895 0.0000 0.0000 63.5099 31.4414 176.4396 70 D 4.6250 9.6566 119.5681 53.3859 42.1152 178.0600 71 K 4.1089 8.2403 117.5599 54.9038 34.5351 176.1291 72 P 4.0553 0.0000 0.0000 64.2823 28.3634 177.8612 73 I 4.5516 7.8965 118.2098 60.0923 39.4239 174.5190 74 T 5.2549 8.1880 121.2165 61.4199 70.0095 173.9119 75 E 4.9810 8.7014 123.7553 54.2979 33.6853 174.8712 76 K 4.7307 8.3319 118.9147 54.5269 35.4245 176.1906 77 P 4.6231 0.0000 0.0000 63.0128 32.1137 176.1611 78 L 4.2278 8.3767 113.8868 55.7512 42.0973 176.2218 79 A 4.6593 7.4484 120.1935 49.6213 21.9163 176.4379 80 V 3.8033 8.0141 118.0678 63.2721 31.7924 174.4388 81 R 4.3886 8.0366 119.3354 56.4695 31.6922 177.1283 82 M 3.2011 7.8932 116.4846 56.7072 29.3206 176.5055 83 G 3.9827 7.6528 111.7334 45.1380 0.0000 171.4201 84 K 4.0944 7.2446 128.4619 53.8534 34.7317 172.4022 85 G 2.9266 8.6056 109.1443 43.8745 0.0000 171.9133 86 K 3.8089 7.7556 126.3532 55.5992 33.7357 176.0142 87 G 3.9776 8.4199 108.5237 45.6018 0.0000 171.6328 88 N 5.0033 8.4837 112.1556 53.8755 39.1753 175.1717 89 V 3.5756 7.8873 122.4263 62.6031 31.1665 171.7740 90 E 3.6249 7.3383 116.0619 56.1008 31.8124 174.2312 91 Y 4.9963 7.4892 114.9244 56.8563 40.9922 172.6881 92 W 5.4814 8.5833 129.0387 55.9639 34.3239 175.2644 93 V 3.8112 9.2769 119.5214 62.3454 33.3329 175.2113 94 A 3.1308 7.8340 119.4760 52.5916 14.8319 176.0738 95 L 4.4327 7.5068 121.7695 55.1570 41.8103 175.5813 96 I 4.5289 7.3583 116.9341 61.1265 39.1563 176.1552 97 Q 5.3862 7.9401 124.0342 54.6702 30.4879 172.9278 98 P 4.6695 0.0000 0.0000 62.1355 33.2998 175.4697 99 G 3.8745 8.5961 110.1709 46.4406 0.0000 174.3943 100 K 4.6376 8.2084 122.4919 55.5010 33.4894 173.7955 101 V 4.1561 8.6786 132.8151 62.8622 37.7283 170.5747 102 L 4.5211 8.3203 123.7475 53.8773 41.3023 173.5215 103 Y 4.7546 7.9691 115.3633 58.4361 42.4294 173.0955 104 E 4.1683 9.8240 125.3707 58.7082 29.8230 176.9676 105 M 4.1392 9.5304 126.0530 56.6630 32.2219 177.3038 106 D 3.6501 9.0495 118.9085 53.4711 41.9832 179.4611 107 G 3.9636 8.4058 112.5015 45.8021 0.0000 174.2733 108 V 5.1920 7.8352 110.7545 57.6748 34.2313 175.2396 109 P 3.1919 0.0000 0.0000 65.8882 30.5491 177.8338 110 E 2.9835 7.9022 117.3756 59.4261 30.0996 176.0711 111 E 3.7563 8.0790 116.2018 59.6183 29.1072 178.9243 112 L 3.8504 7.7928 120.5613 58.5163 42.2304 179.3729 113 A 4.2659 7.1929 117.6521 55.5394 18.6328 179.3884 114 R 4.3240 7.8687 116.8478 59.5645 30.1812 178.2540 115 E 4.1622 8.0534 116.5453 58.3767 30.5051 177.6308 116 A 4.6584 8.0036 121.9955 50.7379 19.9923 176.3188 117 F 4.7491 7.7910 118.0638 57.9894 39.8694 178.5501 118 K 3.7021 6.8512 121.4312 58.9125 32.1205 177.3266 119 L 3.9786 7.9723 117.6709 57.5574 41.6913 177.7760 120 A 4.1909 7.6615 119.9682 51.7055 18.9757 177.4213 121 A 4.0179 8.4667 125.0938 54.9553 18.6216 178.1713 122 A 4.5643 7.7410 116.0331 51.2465 20.5210 176.8688 123 K 4.7361 8.4797 117.7592 55.4933 34.4878 176.4952 124 L 5.0337 8.1716 122.8711 53.6088 42.7353 174.3087 125 P 4.4880 0.0000 0.0000 61.7308 32.2199 176.9798 126 I 3.3912 8.2522 112.2292 61.8848 37.2935 172.6762 127 K 3.8174 7.5443 129.1375 55.1917 33.8168 173.9703 128 T 3.7360 8.1921 116.9356 61.7528 68.6269 174.5118 129 T 3.5408 7.2423 114.7443 60.4897 70.4518 171.9571 130 F 4.3539 8.7498 127.0138 58.9400 38.7980 174.6185 131 V 3.9133 7.6943 125.1300 61.0283 33.6212 173.6784 132 T 4.4801 7.8571 117.9435 60.8839 67.8622 173.2823 133 K 4.3696 7.2214 121.4231 56.4161 34.7594 172.0450 134 T 4.5136 7.9623 113.0761 63.1672 71.7836 172.6869 135 V 4.3187 7.8143 120.0365 63.2056 34.7237 175.3170 136 M 3.4617 8.6959 124.1339 56.1765 33.0296 176.2449 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 4.38 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 2 L 8.16 3.92 0.00 1.69 1.56 0.96 0.60 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 3 Q 8.79 4.37 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.07 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 4 P 0.00 3.95 0.00 1.32 1.33 0.00 3.26 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 5 K 6.82 4.58 0.00 1.51 1.61 0.00 2.10 0.00 0.00 1.84 0.00 0.00 3.10 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.84 1.75 7.81 6 R 9.02 3.50 0.00 2.16 1.78 0.00 3.53 0.00 0.00 3.58 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 7 T 8.84 3.74 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 8 K 7.61 4.45 0.00 1.55 1.75 0.00 1.84 0.00 0.00 1.84 0.00 0.00 3.41 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.16 1.10 7.81 9 F 7.57 4.60 0.00 3.18 3.23 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 10 R 8.61 4.50 0.00 2.01 2.13 0.00 3.05 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 11 K 7.93 4.28 0.00 1.35 1.51 0.00 1.54 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.56 0.45 7.81 12 M 8.61 3.50 0.00 2.25 2.46 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.73 0.00 13 H 8.16 4.29 0.00 3.32 3.44 0.00 5.66 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 14 K 8.72 4.81 0.00 1.85 1.79 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.32 1.38 7.81 15 G 8.95 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 16 R 8.61 3.27 0.00 2.02 2.00 0.00 3.15 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 17 N 7.74 4.90 0.00 2.93 2.98 0.00 0.00 5.87 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 18 R 7.96 4.60 0.00 1.88 1.97 0.00 3.13 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 19 G 8.12 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.03 4.67 0.00 1.53 1.53 0.79 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.48 4.68 0.98 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 0.00 0.00 22 Q 9.19 4.48 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 23 G 8.10 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 24 T 8.15 4.59 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 1.18 0.00 0.00 25 D 8.64 4.43 0.00 2.63 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 26 V 7.54 4.31 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 0.58 0.00 0.00 0.95 0.00 0.00 27 S 7.64 4.44 0.00 3.62 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 28 F 8.36 4.72 0.00 2.36 1.45 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 0.00 29 G 7.37 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 0.00 0.00 0.00 0.00 30 S 9.30 4.88 0.00 3.84 4.07 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 31 F 7.80 4.49 0.00 3.21 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 32 G 8.41 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.54 4.82 0.00 1.93 1.69 1.09 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.61 4.64 0.00 1.79 1.66 0.00 1.88 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.53 7.81 35 A 8.20 5.02 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 36 V 8.42 4.52 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 0.77 0.00 0.00 0.94 0.00 0.00 37 G 8.74 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.44 4.14 0.00 1.80 1.91 0.00 3.52 0.00 0.00 3.40 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.61 0.00 39 G 8.31 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 40 R 8.23 4.82 0.00 1.68 1.36 0.00 2.67 0.00 0.00 3.03 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 41 L 8.16 4.41 0.00 1.88 1.75 1.03 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.14 5.00 4.35 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 1.24 0.00 0.00 43 A 8.36 3.60 -0.12 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 44 R 7.89 4.32 0.00 2.29 2.05 0.00 3.26 0.00 0.00 3.39 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 45 Q 8.39 3.97 0.00 2.36 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 46 I 7.64 3.66 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.96 0.85 0.00 0.00 47 E 8.48 3.89 0.00 2.07 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 2.17 2.31 0.00 48 A 7.54 4.03 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.55 3.97 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 50 R 8.38 3.87 0.00 1.82 2.01 0.00 3.34 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.80 0.00 51 R 7.89 3.97 0.00 2.06 2.11 0.00 3.08 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 52 A 7.89 4.13 1.41 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 0.00 0.00 0.00 53 M 8.27 4.23 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.60 0.00 54 T 8.20 4.00 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 1.22 0.00 0.00 55 R 7.43 3.73 0.00 1.93 2.04 0.00 3.41 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 56 A 8.85 3.76 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 57 V 7.88 4.60 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 0.86 0.00 0.00 1.10 0.00 0.00 58 K 8.42 4.47 0.00 1.80 1.74 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.41 7.81 59 R 8.26 4.41 0.00 1.76 1.90 0.00 3.25 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 60 Q 8.24 3.97 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.73 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 61 G 8.68 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 62 K 8.23 4.69 0.00 1.70 1.29 0.00 1.60 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.34 1.19 7.81 63 I 8.09 4.28 1.65 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.43 0.54 0.00 0.00 64 W 8.76 4.87 0.00 3.23 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 65 I 8.33 4.46 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.59 0.99 0.00 0.00 66 R 8.75 4.50 0.00 2.06 2.03 0.00 3.70 0.00 0.00 3.64 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 67 V 7.64 4.01 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 0.72 0.00 0.00 0.99 0.00 0.00 68 F 8.29 4.26 0.00 3.01 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 69 P 0.00 4.69 0.00 2.08 1.86 0.00 2.73 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.42 0.00 70 D 9.66 4.63 0.00 2.67 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.24 4.11 0.00 1.92 1.82 0.00 1.82 0.00 0.00 1.93 0.00 0.00 3.16 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.65 1.57 7.81 72 P 0.00 4.06 0.00 2.17 2.52 0.00 3.77 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.21 0.00 73 I 7.90 4.55 1.97 0.00 0.00 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 1.84 1.70 1.03 0.00 0.00 74 T 8.19 5.25 4.27 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 1.27 0.00 0.00 75 E 8.70 4.98 0.00 1.77 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 2.16 2.22 0.00 76 K 8.33 4.73 0.00 1.69 1.73 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.28 1.34 7.81 77 P 0.00 4.62 0.00 2.19 2.03 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 78 L 8.38 4.23 0.00 1.60 1.67 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.45 4.66 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 80 V 8.01 3.80 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 0.79 0.00 0.00 0.93 0.00 0.00 81 R 8.04 4.39 0.00 1.78 1.79 0.00 3.39 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 82 M 7.89 3.20 0.00 2.25 2.36 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 2.51 2.53 0.00 83 G 7.65 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 0.00 0.00 0.00 84 K 7.24 4.09 0.00 1.72 1.63 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.17 1.16 7.81 85 G 8.61 2.93 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 86 K 7.76 3.81 0.00 1.72 2.07 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.18 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.48 7.81 87 G 8.42 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 0.00 0.00 0.00 88 N 8.48 5.00 0.00 2.74 2.91 0.00 0.00 6.39 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 89 V 7.89 3.58 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 0.68 0.00 0.00 0.88 0.00 0.00 90 E 7.34 3.62 0.00 1.87 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 2.14 2.18 0.00 91 Y 7.49 5.00 0.00 3.04 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 92 W 8.58 5.48 0.00 3.42 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 9.28 3.81 2.43 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 0.93 0.00 0.00 1.01 0.00 0.00 94 A 7.83 3.13 1.01 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 95 L 7.51 4.43 0.00 1.81 1.76 0.99 0.84 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 96 I 7.36 4.53 1.87 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 1.48 0.52 0.93 0.00 0.00 97 Q 7.94 5.39 0.00 1.86 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.95 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 98 P 0.00 4.67 0.00 2.13 2.17 0.00 3.69 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 2.09 1.99 0.00 99 G 8.60 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 0.00 100 K 8.21 4.64 0.00 1.81 1.93 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.71 7.81 101 V 8.68 4.16 2.35 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 1.18 0.00 0.00 1.05 0.00 0.00 102 L 8.32 4.52 0.00 1.83 1.24 0.85 0.91 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 0.00 103 Y 7.97 4.75 0.00 3.21 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 0.00 104 E 9.82 4.17 0.00 2.45 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 2.41 2.47 0.00 105 M 9.53 4.14 0.00 1.99 2.22 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 2.66 2.68 0.00 106 D 9.05 3.65 0.00 2.69 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 0.00 107 G 8.41 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 0.00 108 V 7.84 5.19 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 0.90 0.00 0.00 0.84 0.00 0.00 109 P 0.00 3.19 0.00 1.36 1.89 0.00 3.79 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 1.78 1.89 0.00 110 E 7.90 2.98 0.00 1.61 1.75 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 2.33 2.60 0.00 111 E 8.08 3.76 0.00 2.07 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 2.33 2.31 0.00 112 L 7.79 3.85 0.00 1.62 1.87 1.08 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.19 4.27 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.87 4.32 0.00 1.87 2.14 0.00 3.15 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.58 0.00 115 E 8.05 4.16 0.00 2.16 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 0.00 2.36 2.42 0.00 116 A 8.00 4.66 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 0.00 117 F 7.79 4.75 0.00 3.24 3.59 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 0.00 118 K 6.85 3.70 0.00 1.00 1.51 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.28 1.34 7.81 119 L 7.97 3.98 0.00 1.66 1.73 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 120 A 7.66 4.19 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 0.00 121 A 8.47 4.02 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 0.00 122 A 7.74 4.56 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 0.00 123 K 8.48 4.74 0.00 1.76 1.75 0.00 1.67 0.00 0.00 1.89 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.55 1.48 7.81 124 L 8.17 5.03 0.00 1.69 1.72 1.04 0.78 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 0.00 125 P 0.00 4.49 0.00 2.22 2.22 0.00 4.03 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 2.06 1.94 0.00 126 I 8.25 3.39 2.00 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 1.31 0.62 0.95 0.00 0.00 127 K 7.54 3.82 0.00 1.85 1.75 0.00 1.55 0.00 0.00 1.31 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.25 1.54 7.81 128 T 8.19 3.74 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 129 T 7.24 3.54 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 1.15 0.00 0.00 130 F 8.75 4.35 0.00 2.84 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 0.00 131 V 7.69 3.91 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 0.62 0.00 0.00 0.81 0.00 0.00 132 T 7.86 4.48 4.14 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 1.08 0.00 0.00 133 K 7.22 4.37 0.00 1.63 1.58 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.35 7.81 134 T 7.96 4.51 4.21 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 1.18 0.00 0.00 135 V 7.81 4.32 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 0.77 0.00 0.00 0.92 0.00 0.00 136 M 8.70 3.46 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00