NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2986 8.2649 123.5820 51.4247 20.3756 176.2379 2 K 4.4739 7.8290 116.4319 53.9118 34.2184 174.3564 3 S 4.5447 8.7399 115.8121 57.5646 64.7212 173.9180 4 A 3.7037 8.0145 122.2571 52.7480 14.9531 176.9422 5 P 4.3539 0.0000 0.0000 64.1515 32.2208 177.2504 6 A 4.6594 7.4210 118.4325 49.4081 22.0739 174.7497 7 P 4.5747 0.0000 0.0000 62.5380 33.0243 176.3361 8 K 4.5805 8.2810 114.0201 55.3860 31.3590 176.0047 9 K 4.7447 8.7183 114.5315 54.3882 35.3730 177.9592 10 G 4.4745 7.2625 114.0401 46.3934 0.0000 176.1034 11 S 4.7023 8.7339 113.1690 55.8889 66.1105 173.6904 12 K 4.4031 8.2761 121.3203 55.1733 34.3982 175.8531 13 K 4.2281 8.2868 117.6674 56.3474 33.4713 177.2018 14 A 4.4504 8.2369 125.1082 51.2587 19.2240 178.6109 15 V 3.2076 8.4345 122.7657 63.2234 31.5591 174.1179 16 T 4.5036 8.7403 104.2350 59.7696 71.8113 174.4016 17 K 4.4781 8.1491 121.4195 55.6735 34.8853 175.2250 18 T 4.6094 8.1753 114.6767 62.0647 70.6829 174.6553 19 Q 4.7443 8.1293 127.7749 55.2051 30.2961 175.6087 20 K 4.2522 8.0585 119.6070 58.8383 37.4111 177.2976 21 K 4.0803 8.0329 110.8065 55.4856 33.1534 175.9778 22 D 4.4301 9.3657 128.7673 57.7255 41.9543 178.4552 23 G 4.0035 8.8520 108.6695 46.8478 0.0000 174.7271 24 K 4.6633 6.8960 118.7175 56.2581 35.0837 174.7759 25 K 4.4810 8.0416 116.1468 56.2428 34.9655 177.0928 26 R 3.7126 7.9756 118.5933 59.9958 29.4291 177.6572 27 R 4.2184 8.5164 110.6786 57.1222 30.1857 176.6559 28 K 4.2632 8.3386 118.4747 56.6127 31.7909 176.0521 29 T 3.8236 7.8921 114.4499 63.1544 67.8335 173.7784 30 R 3.7600 8.4904 125.1070 56.6069 30.3749 176.7534 31 K 4.3360 8.4049 123.9541 54.2445 32.7370 175.1292 32 E 4.3003 8.3356 123.8344 55.8458 30.7556 175.7096 33 S 4.4104 7.8513 112.9766 57.1334 65.6879 174.2573 34 Y 4.7791 9.5480 116.4800 57.9100 37.5782 177.3056 35 A 4.1102 7.7959 124.7660 55.6713 18.4377 180.3079 36 I 3.6413 7.5647 110.4055 63.9877 37.7054 177.7775 37 Y 4.2543 7.5884 118.3330 60.7423 37.9915 177.7039 38 V 3.7215 8.5688 119.7671 66.1160 31.6116 177.4178 39 Y 3.8609 8.3513 119.3849 60.6669 38.5300 178.2629 40 K 4.0715 8.1031 119.0327 59.5634 32.1467 179.5515 41 V 3.6251 7.9048 118.4754 65.7365 31.3526 177.8233 42 L 3.9145 7.9804 120.2397 58.0413 41.6107 179.1919 43 K 3.7823 7.5126 117.3076 59.4133 32.0169 179.0900 44 Q 4.1190 7.6283 117.8315 58.5016 28.6806 178.2885 45 V 4.0348 7.5605 112.2305 62.4321 33.5910 176.4554 46 H 4.9351 8.6343 115.6262 52.6812 29.5811 171.6824 47 P 4.1838 0.0000 0.0000 65.2767 31.7279 177.1376 48 D 4.9016 8.0177 114.8463 54.0591 41.1310 175.6370 49 T 4.5536 8.0470 116.2699 61.7383 70.7493 174.4488 50 G 4.2380 8.1933 114.3484 44.4194 0.0000 172.0268 51 I 4.4215 7.8794 117.8398 58.4840 40.9440 175.7603 52 S 4.4658 8.5453 122.6417 58.0735 65.1386 175.5653 53 S 4.1268 8.4802 118.2176 61.7186 62.7292 177.0649 54 K 3.9773 8.0685 120.4929 59.4771 31.8577 179.1269 55 A 4.0358 8.2075 121.0781 55.2983 18.2001 179.3833 56 M 4.0609 8.3180 117.0278 58.7641 32.2025 178.4538 57 S 4.1525 8.3367 113.5475 61.1531 62.4649 176.1517 58 I 3.7366 7.7395 122.3738 64.7356 36.8466 178.2431 59 M 4.1840 8.2156 119.4561 58.3937 31.7905 178.3259 60 N 4.4523 8.6453 117.5087 56.9220 39.0880 177.0146 61 S 4.1904 8.4080 116.7039 61.5073 62.8648 176.3455 62 F 4.2193 8.6565 123.6635 61.5460 39.1475 177.3985 63 V 3.0800 8.0116 117.7471 65.8726 31.2387 177.7080 64 N 4.4000 8.2813 116.2982 56.1607 38.2602 176.9404 65 D 4.2660 8.3261 119.7434 57.4979 41.3544 178.5216 66 V 3.4002 7.5552 118.8347 65.6031 31.3371 177.6712 67 F 3.8521 8.1946 120.4980 61.3046 39.2602 176.9182 68 E 4.0535 8.4165 118.0726 59.5978 29.3191 179.6750 69 R 3.9012 8.1868 118.2057 59.3123 30.0533 179.2987 70 I 3.6278 7.8969 119.6004 64.2149 37.0103 178.3993 71 A 3.8259 8.0976 122.2559 54.8507 18.0990 179.9695 72 G 3.4542 8.3879 104.7826 47.8997 0.0000 175.6224 73 E 3.8853 8.2344 121.7018 58.8287 29.6472 178.7846 74 A 3.8971 8.1186 121.0976 54.8947 18.3636 179.4142 75 S 3.8640 8.2115 112.0182 61.6868 62.4873 176.7064 76 R 3.4685 7.7113 120.5054 58.8868 29.8202 178.8594 77 L 3.8719 7.6720 118.4700 57.9122 41.6159 179.5713 78 A 3.9563 7.8290 120.3220 55.4084 18.2511 179.3963 79 H 4.1535 8.0894 114.7233 59.3470 28.5768 177.5370 80 Y 4.4795 8.0939 117.5162 60.9453 37.7369 177.6640 81 N 4.7337 7.8647 114.1071 51.8095 39.6811 175.1196 82 K 3.8897 8.1170 118.6354 58.0444 30.0181 175.7604 83 R 4.6472 8.3375 116.4858 54.5814 33.0974 176.6326 84 S 4.5454 8.6664 115.4227 58.4561 63.7659 173.7647 85 T 4.4817 7.5787 117.7743 61.9146 70.7036 173.3100 86 I 4.1543 8.2840 127.1424 60.2708 37.9073 175.6879 87 T 4.5891 8.5593 117.1474 59.5784 72.4397 175.1343 88 S 4.1149 8.3960 114.8261 61.4609 62.7727 176.2914 89 R 3.8392 7.7981 122.2511 59.4278 29.7119 178.3786 90 E 3.9875 8.0568 117.9255 59.2508 29.4296 179.1959 91 I 3.6127 7.5485 119.7765 64.1422 37.1465 178.2092 92 Q 3.8956 8.2855 120.6213 59.6801 28.9729 178.4925 93 T 3.8736 8.0084 116.4665 66.5191 68.3353 176.5521 94 A 3.9636 8.2659 123.0581 55.0366 18.3040 179.8164 95 V 3.4887 8.0342 117.0697 66.2973 31.3773 178.5515 96 R 3.9476 7.8440 116.6819 59.1270 29.9110 178.7300 97 L 4.1612 7.7485 118.2508 57.3396 41.7684 178.6369 98 L 4.1474 8.0773 119.5703 56.1737 42.6536 176.8891 99 L 4.5513 7.5417 117.9934 52.7130 43.2061 175.4270 100 P 4.4817 0.0000 0.0000 63.1410 33.5467 178.9991 101 G 3.1811 8.0764 100.2600 44.7436 0.0000 176.6970 102 E 4.0128 8.5378 119.7799 58.5923 30.4864 177.9630 103 L 3.9592 7.9869 119.7551 58.1202 42.1927 178.7102 104 A 3.9646 8.1529 120.6723 54.8770 18.2835 179.3926 105 K 3.7926 7.9243 117.7797 60.2350 32.2356 178.8090 106 H 4.1283 8.2466 115.9927 58.5980 28.4883 177.7185 107 A 3.9805 8.3130 122.9346 55.1555 18.1419 179.8587 108 V 3.5022 8.3057 117.1776 66.1876 31.6486 178.2050 109 S 4.0647 8.2671 112.9927 61.3672 62.2066 176.0695 110 E 4.1109 8.5911 121.7489 59.1214 29.2363 179.4692 111 G 3.5791 8.3811 106.1143 48.2633 0.0000 175.9316 112 T 3.9177 8.1786 118.9291 65.9416 68.2937 176.7838 113 K 3.9216 7.9853 120.9827 59.4816 32.2140 178.8265 114 A 4.0015 8.0833 121.1135 55.1961 18.2822 179.8235 115 V 3.5940 7.8806 116.8400 66.1408 31.4776 178.5723 116 T 3.8789 7.9339 115.6002 66.6874 68.1673 176.0847 117 K 3.8013 8.0691 120.1128 59.8928 32.2046 177.2675 118 Y 4.3284 8.2317 119.4440 61.5206 38.9392 178.5585 119 T 3.9966 8.1367 116.1574 66.7210 68.3474 177.8513 120 S 4.4821 8.3344 113.7010 57.8182 63.1139 173.6387 121 A 4.6350 7.6524 125.3052 50.0696 20.7587 177.6709 122 K 4.3129 8.4639 122.5300 56.4567 32.2037 175.7449 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 A 8.26 4.30 1.30 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 2 K 7.83 4.47 0.00 1.82 1.72 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.49 7.81 3 S 8.74 4.54 0.00 3.93 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 4 A 8.01 3.70 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 5 P 0.00 4.35 0.00 2.05 2.15 0.00 3.63 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 2.03 2.10 0.00 6 A 7.42 4.66 1.19 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 7 P 0.00 4.57 0.00 2.19 2.12 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 8 K 8.28 4.58 0.00 1.73 1.77 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.33 1.41 7.81 9 K 8.72 4.74 0.00 1.69 1.75 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.32 1.39 7.81 10 G 7.26 4.47 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 0.00 11 S 8.73 4.70 0.00 3.93 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 12 K 8.28 4.40 0.00 1.88 1.88 0.00 1.56 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.41 7.81 13 K 8.29 4.23 0.00 1.88 1.84 0.00 1.54 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.38 1.43 7.81 14 A 8.24 4.45 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 15 V 8.43 3.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.93 0.00 0.00 16 T 8.74 4.50 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 17 K 8.15 4.48 0.00 1.87 1.87 0.00 1.51 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.43 7.81 18 T 8.18 4.61 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 1.28 0.00 0.00 19 Q 8.13 4.74 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.91 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 20 K 8.06 4.25 0.00 1.92 1.61 0.00 1.56 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.23 1.27 7.81 21 K 8.03 4.08 0.00 1.89 1.77 0.00 1.70 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.50 1.50 7.81 22 D 9.37 4.43 0.00 2.65 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 23 G 8.85 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 0.00 0.00 0.00 0.00 24 K 6.90 4.66 0.00 1.72 1.72 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.19 1.17 7.81 25 K 8.04 4.48 0.00 1.84 1.86 0.00 1.53 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.57 7.81 26 R 7.98 3.71 0.00 1.86 1.75 0.00 3.18 0.00 0.00 3.33 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 27 R 8.52 4.22 0.00 1.83 1.93 0.00 3.41 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 28 K 8.34 4.26 0.00 1.60 1.97 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.40 1.39 7.81 29 T 7.89 3.82 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 1.20 0.00 0.00 30 R 8.49 3.76 0.00 1.77 1.88 0.00 3.13 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 31 K 8.40 4.34 0.00 1.63 1.68 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.42 7.81 32 E 8.34 4.30 0.00 2.02 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 2.18 2.15 0.00 33 S 7.85 4.41 0.00 4.19 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 34 Y 9.55 4.78 0.00 3.14 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 35 A 7.80 4.11 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 36 I 7.56 3.64 1.62 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 -0.36 0.73 0.00 0.00 37 Y 7.59 4.25 0.00 3.40 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 38 V 8.57 3.72 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 1.07 0.00 0.00 1.16 0.00 0.00 39 Y 8.35 3.86 0.00 3.31 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 40 K 8.10 4.07 0.00 2.13 1.93 0.00 1.86 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.73 7.81 41 V 7.90 3.63 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.05 0.00 0.00 42 L 7.98 3.91 0.00 1.69 1.54 0.89 0.31 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 43 K 7.51 3.78 0.00 1.90 1.83 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.44 1.64 7.81 44 Q 7.63 4.12 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 45 V 7.56 4.03 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 0.77 0.00 0.00 0.91 0.00 0.00 46 H 8.63 4.94 0.00 3.04 3.10 0.00 5.66 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.18 0.00 2.03 2.15 0.00 3.65 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 2.03 2.40 0.00 48 D 8.02 4.90 0.00 2.64 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.05 4.55 4.31 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 1.15 0.00 0.00 50 G 8.19 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 0.00 0.00 0.00 0.00 51 I 7.88 4.42 1.87 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 1.51 0.71 1.02 0.00 0.00 52 S 8.55 4.47 0.00 4.10 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 0.00 53 S 8.48 4.13 0.00 3.90 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 54 K 8.07 3.98 0.00 1.81 1.87 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.52 7.81 55 A 8.21 4.04 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 56 M 8.32 4.06 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.66 0.00 57 S 8.34 4.15 0.00 3.97 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 0.00 58 I 7.74 3.74 2.07 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 1.80 0.80 0.93 0.00 0.00 59 M 8.22 4.18 0.00 2.14 2.33 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.87 0.00 60 N 8.65 4.45 0.00 3.03 3.03 0.00 0.00 7.23 7.57 0.00 0.00 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 8.41 4.19 0.00 4.18 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 62 F 8.66 4.22 0.00 3.07 3.31 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 63 V 8.01 3.08 1.69 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 -0.28 0.00 0.00 0.89 0.00 0.00 64 N 8.28 4.40 0.00 3.06 2.90 0.00 0.00 6.66 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 65 D 8.33 4.27 0.00 2.89 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 66 V 7.56 3.40 1.60 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 0.84 0.00 0.00 0.35 0.00 0.00 67 F 8.19 3.85 0.00 3.23 3.22 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 0.00 68 E 8.42 4.05 0.00 2.28 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 2.49 2.72 0.00 69 R 8.19 3.90 0.00 1.77 1.93 0.00 3.10 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 70 I 7.90 3.63 1.73 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.56 0.75 0.00 0.00 71 A 8.10 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.39 3.45 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 0.00 0.00 0.00 73 E 8.23 3.89 0.00 2.22 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 2.28 2.34 0.00 74 A 8.12 3.90 1.28 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 0.00 0.00 75 S 8.21 3.86 0.00 3.89 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 76 R 7.71 3.47 0.00 1.58 1.11 0.00 3.16 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 1.50 1.74 0.00 77 L 7.67 3.87 0.00 1.89 1.67 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 78 A 7.83 3.96 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 79 H 8.09 4.15 0.00 3.22 3.31 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 8.09 4.48 0.00 3.05 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 N 7.86 4.73 0.00 2.84 2.86 0.00 0.00 7.09 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 82 K 8.12 3.89 0.00 1.91 1.88 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.43 7.81 83 R 8.34 4.65 0.00 1.80 1.77 0.00 3.31 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 84 S 8.67 4.55 0.00 3.96 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 85 T 7.58 4.48 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 1.19 0.00 0.00 86 I 8.28 4.15 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.45 0.83 0.00 0.00 87 T 8.56 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 1.22 0.00 0.00 88 S 8.40 4.11 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 89 R 7.80 3.84 0.00 1.86 1.95 0.00 3.08 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 90 E 8.06 3.99 0.00 2.18 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 91 I 7.55 3.61 1.96 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 1.54 0.89 0.83 0.00 0.00 92 Q 8.29 3.90 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 93 T 8.01 3.87 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 1.21 0.00 0.00 94 A 8.27 3.96 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 95 V 8.03 3.49 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.95 0.00 0.00 96 R 7.84 3.95 0.00 1.99 1.98 0.00 3.21 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 97 L 7.75 4.16 0.00 1.81 1.73 0.94 1.05 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 98 L 8.08 4.15 0.00 1.57 1.72 0.90 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 99 L 7.54 4.55 0.00 1.70 1.58 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.48 0.00 2.17 1.98 0.00 3.63 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 101 G 8.08 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 0.00 0.00 0.00 102 E 8.54 4.01 0.00 2.11 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 0.00 2.41 2.50 0.00 103 L 7.99 3.96 0.00 1.93 1.72 0.93 1.04 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 0.00 104 A 8.15 3.96 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 0.00 105 K 7.92 3.79 0.00 1.87 1.93 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.34 1.45 7.81 106 H 8.25 4.13 0.00 3.25 3.35 0.00 5.68 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 0.00 107 A 8.31 3.98 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 0.00 108 V 8.31 3.50 2.27 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 1.06 0.00 0.00 0.94 0.00 0.00 109 S 8.27 4.06 0.00 3.89 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 0.00 110 E 8.59 4.11 0.00 2.17 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 0.00 2.53 2.49 0.00 111 G 8.38 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.18 3.92 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 0.00 113 K 7.99 3.92 0.00 1.92 2.02 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.47 7.81 114 A 8.08 4.00 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 0.00 115 V 7.88 3.59 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 1.06 0.00 0.00 0.96 0.00 0.00 116 T 7.93 3.88 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 1.23 0.00 0.00 117 K 8.07 3.80 0.00 1.75 2.11 0.00 1.75 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.57 7.81 118 Y 8.23 4.33 0.00 3.04 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 0.00 119 T 8.14 4.00 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 120 S 8.33 4.48 0.00 3.81 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 0.00 121 A 7.65 4.64 1.17 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 0.00 122 K 8.46 4.31 0.00 1.68 1.67 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.52 7.81