NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4527 8.3049 120.3266 54.5988 33.4389 175.0197 1 I 3.6312 8.1141 121.7346 61.6219 37.6122 174.4803 2 Q 4.8560 9.2927 123.9082 54.6981 33.3932 173.9919 3 R 4.7654 9.1651 123.7495 54.4493 33.3207 175.2229 4 T 5.0912 8.8587 118.4728 60.2737 68.3717 172.3206 5 P 4.8819 0.0000 0.0000 62.9724 32.2787 175.9932 6 K 4.5560 9.3815 122.6410 55.9345 34.0669 175.8231 7 I 5.2045 8.1983 122.2410 59.8575 41.0764 174.8066 8 Q 4.8504 9.3214 125.0825 54.0946 32.6770 174.3658 9 V 5.1333 8.7258 123.7596 60.2374 33.5735 174.3388 10 Y 5.3303 8.4793 122.5105 56.4880 41.7940 173.1946 11 S 5.0433 8.9051 113.9977 56.6461 64.9710 174.4177 12 R 4.1168 9.0875 122.7314 59.2518 30.1958 176.3631 13 H 5.1127 8.4328 113.4574 52.6898 31.8537 171.9844 14 P 4.3813 0.0000 0.0000 62.7402 31.6573 176.3952 15 A 4.2952 8.6984 125.4139 52.1530 19.0595 176.8909 16 E 4.6078 8.5877 121.8927 54.1681 32.6549 175.0264 17 N 4.7304 8.8369 121.8462 55.1407 38.9685 175.5915 18 G 3.9607 9.0832 111.8820 44.8966 0.0000 173.2605 19 K 4.4713 7.3259 119.1006 54.0167 33.8462 176.3130 20 S 4.1477 8.3711 118.0084 59.1356 63.1581 172.7836 21 N 5.0344 8.6254 123.5751 53.1889 42.5072 172.1481 22 F 5.2052 9.0109 115.3398 55.8483 43.4668 173.7161 23 L 3.9837 8.7823 125.8988 53.4619 43.2273 174.9779 24 N 5.3295 8.9204 124.6952 51.8269 41.8359 173.6701 25 C 5.2512 9.2513 121.2236 55.5488 45.5870 171.9120 26 Y 5.5274 9.7013 129.2564 56.2841 40.4101 174.5120 27 V 5.5310 8.8500 120.2619 58.9587 34.8261 175.1445 28 S 5.2520 7.8058 117.9408 57.0302 66.9516 174.3113 29 G 4.4750 8.8193 105.2146 47.1628 0.0000 173.2663 30 F 5.1165 7.3465 114.5733 55.6407 41.0645 173.9601 31 H 5.0542 8.8878 115.0118 54.8934 33.8903 172.2203 32 P 4.9642 0.0000 0.0000 62.5515 31.9165 176.1796 33 S 3.9746 8.4203 113.2023 60.5896 63.1467 174.1826 34 D 4.3640 7.9696 121.0671 54.7800 40.6571 175.1845 35 I 4.5810 7.9798 123.1380 59.5113 41.4936 173.1300 36 E 4.6050 8.8849 128.1475 54.3184 32.0155 174.7737 37 V 4.5705 8.0054 125.8825 61.1434 34.3889 174.1008 38 D 4.8890 8.9941 126.6469 52.5166 45.4785 174.2997 39 L 5.0710 8.3840 120.9364 53.1855 44.4100 175.3592 40 L 5.2451 9.2779 122.5742 52.7427 45.7229 175.4689 41 K 4.1955 9.0066 124.2013 54.5077 34.4639 175.8152 42 N 4.1266 10.0387 128.1835 54.2987 36.6217 175.8394 43 G 3.9422 8.4093 105.8688 45.1237 0.0000 173.3984 44 E 4.4016 7.8468 121.3936 54.0330 30.8176 175.0724 45 R 4.3127 8.4667 126.4056 56.4574 30.5045 175.9001 46 I 4.0173 8.7135 127.5913 61.1490 37.8492 176.0832 47 E 4.0577 8.8995 125.4551 59.3936 29.6650 178.1449 48 K 4.2405 7.6632 121.0347 54.7383 30.6607 174.0019 49 V 4.5095 7.6216 120.3121 60.4936 34.5106 173.9761 50 E 4.7083 8.4485 126.4115 54.7135 33.0737 174.3361 51 H 5.2587 7.7802 115.0848 53.7535 31.6324 173.1554 52 S 4.5451 8.9459 115.7322 58.2586 64.0228 173.3872 53 D 4.5455 8.4967 120.1958 53.4053 41.3042 176.3664 54 L 3.9817 8.5161 125.1902 56.2801 42.6369 175.8640 55 S 4.7202 8.2161 119.4677 57.0896 66.6833 171.7703 56 F 5.1596 7.3588 114.6567 55.6607 40.9363 174.4951 57 S 4.6844 9.0097 116.8027 57.2243 64.4010 175.3605 58 K 3.6153 8.5461 119.9717 59.8161 31.6391 177.7106 59 D 4.4361 7.8227 115.6411 52.8368 39.2854 177.4718 60 W 3.5997 7.6095 118.5349 57.1876 28.2241 174.7694 61 S 4.3214 8.0110 114.3067 58.1920 63.8733 174.1500 62 F 5.0325 8.2931 121.3531 57.3699 40.2645 174.0865 63 Y 5.4695 8.2518 117.6099 55.9757 41.6238 173.9522 64 L 5.2209 9.6422 121.3944 53.1720 47.0315 174.9271 65 L 5.3402 9.4089 124.7739 53.9155 44.3435 174.4929 66 Y 5.1844 9.2130 125.0125 56.7630 40.2903 174.5945 67 Y 5.8098 8.5895 120.4524 56.8651 42.1840 173.4050 68 T 4.9599 8.2315 113.2458 60.7883 70.9862 172.5916 69 E 3.9254 8.6076 126.8677 56.4924 30.4074 175.8289 70 F 4.6734 8.5701 116.1837 56.6455 41.9001 173.1119 71 T 4.5800 8.1513 115.7847 60.6996 70.6449 172.3275 72 P 4.6465 0.0000 0.0000 62.9302 32.9485 175.7117 73 T 5.2011 8.3304 110.6612 59.6830 71.9961 173.2095 74 E 4.1251 8.8941 121.3490 58.8102 29.7269 177.6983 75 K 4.3052 7.9009 115.9341 58.0696 33.6937 176.8159 76 D 4.5612 8.0711 120.3212 54.3943 41.2809 175.1450 77 E 4.9387 9.2369 123.6861 54.9403 32.0564 174.7419 78 Y 5.3641 8.7315 119.8213 56.6771 42.4847 174.0888 79 A 5.0341 8.7499 121.2212 51.5231 23.6244 174.2277 80 C 5.2835 9.4064 119.9011 54.7355 46.5360 172.5600 81 R 5.1524 9.0328 126.6104 54.5481 32.3108 174.5733 82 V 4.8489 9.0180 125.6591 61.1278 35.3683 173.5651 83 N 5.2911 8.9085 124.6656 52.4802 42.7162 172.3101 84 H 5.0240 8.5122 121.9566 55.0163 32.8724 174.5883 85 V 3.6800 8.3159 122.6851 64.8481 31.3274 177.1249 86 T 4.2478 7.9376 108.4591 61.8493 69.2550 173.4845 87 L 5.0034 7.9451 123.8995 52.9702 43.5648 176.8239 88 S 4.3176 8.7827 118.7895 60.2710 63.5708 174.4553 89 Q 4.6499 7.6194 118.0618 52.5444 31.9611 173.0416 90 P 4.4180 0.0000 0.0000 63.1610 32.0585 175.3909 91 K 4.3825 9.0224 125.7263 55.5669 33.7148 175.1091 92 I 5.0111 8.3738 127.6315 59.4772 39.8980 174.8450 93 V 4.4379 8.8108 127.3847 60.8970 33.7444 175.0804 94 K 4.6147 8.7729 127.2538 55.9375 33.1988 176.2179 95 W 4.7677 9.1355 134.2429 56.8492 31.7467 175.0680 96 D 4.4787 8.4421 126.3813 51.9298 42.3286 176.2709 97 R 3.7531 7.7037 122.8509 57.8476 29.3483 176.6301 98 D 4.8136 8.5302 118.3001 54.4379 41.2128 176.3598 99 M 4.3844 8.1479 125.2732 55.6989 33.1674 174.7800 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 0 M 8.30 4.45 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 1 I 8.11 3.63 1.81 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 1.40 0.55 0.88 0.00 0.00 2 Q 9.29 4.86 0.00 1.92 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.62 0.00 3 R 9.17 4.77 0.00 1.84 2.08 0.00 3.14 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 4 T 8.86 5.09 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 1.26 0.00 0.00 5 P 0.00 4.88 0.00 1.96 1.69 0.00 3.79 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.75 0.00 6 K 9.38 4.56 0.00 1.74 1.81 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.48 7.81 7 I 8.20 5.20 1.91 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 1.31 0.74 0.96 0.00 0.00 8 Q 9.32 4.85 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 9 V 8.73 5.13 2.21 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 1.01 0.00 0.00 1.05 0.00 0.00 10 Y 8.48 5.33 0.00 3.24 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 11 S 8.91 5.04 0.00 4.31 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 9.09 4.12 0.00 1.81 2.22 0.00 3.09 0.00 0.00 3.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.45 0.00 13 H 8.43 5.11 0.00 3.25 3.21 0.00 5.73 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.38 0.00 2.10 2.06 0.00 3.78 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 2.09 2.17 0.00 15 A 8.70 4.30 1.61 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 0.00 0.00 16 E 8.59 4.61 0.00 1.98 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 2.31 2.50 0.00 17 N 8.84 4.73 0.00 2.72 2.80 0.00 0.00 7.36 7.65 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 18 G 9.08 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 19 K 7.33 4.47 0.00 1.81 1.69 0.00 1.82 0.00 0.00 1.61 0.00 0.00 2.74 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.32 7.81 20 S 8.37 4.15 0.00 3.76 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.63 5.03 0.00 2.56 2.45 0.00 0.00 6.88 7.26 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 22 F 9.01 5.21 0.00 2.99 2.86 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 23 L 8.78 3.98 0.00 0.27 0.62 -0.42 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.92 5.33 0.00 1.44 2.25 0.00 0.00 5.94 6.02 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 25 C 9.25 5.25 0.00 2.91 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 26 Y 9.70 5.53 0.00 3.35 3.16 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 0.00 27 V 8.85 5.53 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 1.10 0.00 0.00 28 S 7.81 5.25 0.00 3.86 3.51 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 29 G 8.82 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 7.35 5.12 0.00 3.02 3.16 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 0.00 31 H 8.89 5.05 0.00 3.28 3.21 0.00 5.59 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.96 0.00 2.15 2.18 0.00 3.92 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 33 S 8.42 3.97 0.00 3.29 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 34 D 7.97 4.36 0.00 2.66 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 35 I 7.98 4.58 1.61 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.56 0.85 0.00 0.00 36 E 8.88 4.60 0.00 2.00 1.67 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 2.09 2.15 0.00 37 V 8.01 4.57 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.42 0.00 0.00 38 D 8.99 4.89 0.00 2.49 2.42 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 39 L 8.38 5.07 0.00 1.55 1.50 0.87 0.48 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 40 L 9.28 5.25 0.00 1.51 1.50 0.91 0.51 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 41 K 9.01 4.20 0.00 1.79 1.60 0.00 1.94 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.07 0.66 7.81 42 N 10.04 4.13 0.00 2.75 2.79 0.00 0.00 7.20 7.09 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 43 G 8.41 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 44 E 7.85 4.40 0.00 1.98 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 0.00 2.23 2.22 0.00 45 R 8.47 4.31 0.00 1.79 1.83 0.00 3.56 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 46 I 8.71 4.02 1.87 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.81 0.91 0.00 0.00 47 E 8.90 4.06 0.00 1.95 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 0.00 2.31 2.29 0.00 48 K 7.66 4.24 0.00 1.70 1.71 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.35 7.81 49 V 7.62 4.51 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 0.96 0.00 0.00 0.98 0.00 0.00 50 E 8.45 4.71 0.00 1.16 1.48 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 0.00 2.08 2.04 0.00 51 H 7.78 5.26 0.00 2.14 1.72 0.00 5.73 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.95 4.55 0.00 3.98 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 53 D 8.50 4.55 0.00 2.70 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 54 L 8.52 3.98 0.00 1.62 1.62 0.83 0.57 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 55 S 8.22 4.72 0.00 3.49 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 56 F 7.36 5.16 0.00 2.96 2.51 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 57 S 9.01 4.68 0.00 4.13 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 58 K 8.55 3.62 0.00 1.62 1.70 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.35 7.81 59 D 7.82 4.44 0.00 2.75 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 60 W 7.61 3.60 0.00 3.28 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.01 4.32 0.00 3.97 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 62 F 8.29 5.03 0.00 1.61 2.55 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 63 Y 8.25 5.47 0.00 2.93 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 64 L 9.64 5.22 0.00 1.91 1.71 1.15 0.30 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 65 L 9.41 5.34 0.00 2.05 1.75 1.14 0.79 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 66 Y 9.21 5.18 0.00 3.12 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 8.59 5.81 0.00 3.06 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 68 T 8.23 4.96 4.18 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 1.03 0.00 0.00 69 E 8.61 3.93 0.00 1.66 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 1.47 1.85 0.00 70 F 8.57 4.67 0.00 2.84 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 71 T 8.15 4.58 4.15 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 1.13 0.00 0.00 72 P 0.00 4.65 0.00 2.33 2.08 0.00 3.36 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.79 0.00 73 T 8.33 5.20 4.29 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 1.29 0.00 0.00 74 E 8.89 4.13 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 75 K 7.90 4.31 0.00 1.91 1.94 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.48 7.81 76 D 8.07 4.56 0.00 2.95 2.58 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 77 E 9.24 4.94 0.00 1.96 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 2.28 2.28 0.00 78 Y 8.73 5.36 0.00 3.08 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 79 A 8.75 5.03 1.27 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 0.00 0.00 0.00 80 C 9.41 5.28 0.00 2.94 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 81 R 9.03 5.15 0.00 1.83 1.68 0.00 3.06 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 82 V 9.02 4.85 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 0.78 0.00 0.00 0.79 0.00 0.00 83 N 8.91 5.29 0.00 2.72 2.52 0.00 0.00 6.53 8.65 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 84 H 8.51 5.02 0.00 3.13 3.03 0.00 5.94 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.32 3.68 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 0.68 0.00 0.00 0.91 0.00 0.00 86 T 7.94 4.25 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 1.34 0.00 0.00 87 L 7.95 5.00 0.00 1.69 1.79 0.93 0.77 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 88 S 8.78 4.32 0.00 3.98 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 89 Q 7.62 4.65 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.94 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 90 P 0.00 4.42 0.00 2.04 2.04 0.00 3.74 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 91 K 9.02 4.38 0.00 1.89 1.69 0.00 1.47 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.46 7.81 92 I 8.37 5.01 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 1.22 0.78 0.93 0.00 0.00 93 V 8.81 4.44 2.15 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 0.98 0.00 0.00 0.97 0.00 0.00 94 K 8.77 4.61 0.00 1.75 1.81 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.50 1.48 7.81 95 W 9.14 4.77 0.00 3.31 3.47 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 96 D 8.44 4.48 0.00 2.61 2.41 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 97 R 7.70 3.75 0.00 1.82 1.19 0.00 2.97 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.50 0.00 98 D 8.53 4.81 0.00 2.66 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 99 M 8.15 4.38 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00