NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.3012 8.1133 120.8596 55.7072 32.3773 174.3211 6 I 4.5862 7.5379 119.2412 58.1558 35.3972 174.2784 7 R 5.3926 8.4243 131.2574 55.7754 28.0111 175.5987 8 I 4.1568 7.4587 114.1324 60.9966 39.4735 177.3426 9 R 4.6997 8.2127 120.3935 54.4892 33.3868 174.7491 10 L 5.2862 7.8180 122.6510 52.8214 44.8892 176.9780 11 K 4.4088 7.9458 115.2784 56.2142 35.0960 174.0361 12 A 4.7851 8.7251 126.3965 49.5466 22.3695 175.3637 13 F 4.9004 7.6025 116.9791 57.1514 38.8804 175.2211 14 D 4.4335 7.4962 119.2102 54.5049 43.8843 174.5915 15 H 4.6611 7.8992 115.5258 56.9399 29.9002 176.4728 16 R 4.1203 7.6524 114.9337 56.6920 29.8202 176.1424 17 L 4.6074 7.7422 118.0728 55.1773 44.1477 177.0771 18 I 4.3573 7.6916 116.5364 60.6384 38.0809 175.2878 19 D 4.8308 7.8271 118.0961 54.0143 42.9908 176.8358 20 Q 4.2317 8.1835 117.4948 56.3667 29.5320 175.3950 21 A 4.6262 7.4798 117.2226 52.6399 20.0577 177.2307 22 T 4.3024 7.5567 110.4988 63.6184 66.8798 175.5027 23 A 4.2374 7.5618 119.5871 52.8456 18.1863 177.6688 24 E 4.4160 7.8449 116.6844 56.5103 30.4218 176.7189 25 I 4.0349 8.0003 118.9859 63.6420 37.5910 177.0047 26 V 4.1577 7.6939 116.4882 62.9453 32.2194 176.1183 27 E 4.4871 7.5348 112.7707 57.2328 30.3872 176.3290 28 T 4.4743 7.7817 113.7792 63.2460 70.2188 173.9031 29 A 4.6551 7.7719 122.8641 51.5091 20.6572 177.6769 30 K 4.1820 8.0549 115.8362 57.8441 33.0593 177.0668 31 R 4.4932 7.4163 118.5699 55.1458 29.6547 175.0517 32 T 4.0628 7.1325 119.0423 62.8502 73.4781 173.4215 33 G 3.9859 7.8092 108.6016 43.7313 0.0000 173.8508 34 A 3.8760 8.4009 122.4817 53.6507 16.7066 179.8055 35 Q 4.0683 5.7400 121.3943 56.1405 30.0981 172.3727 36 V 3.5015 7.3788 124.7876 62.0700 34.4887 170.2099 37 R 4.7200 8.2063 132.8329 55.2252 28.9718 179.0412 38 G 4.1367 8.3496 99.5015 44.3778 0.0000 169.2099 39 P 4.6962 0.0000 0.0000 62.1438 31.9300 176.0069 40 I 4.4142 8.2190 119.5663 57.2515 39.0880 174.5993 41 P 4.3790 0.0000 0.0000 61.7683 30.2624 174.8428 42 L 4.0006 6.9962 114.8651 54.5933 42.5212 175.7092 43 P 4.4359 0.0000 0.0000 63.0268 31.9400 176.3170 44 T 4.3748 8.0776 117.7717 61.8528 69.2445 175.2254 45 R 4.3172 8.1148 128.7593 56.1673 27.8599 178.9482 46 K 4.8493 7.7047 118.8050 55.0595 30.5528 175.7201 47 E 4.0779 8.2117 120.0449 55.8235 30.5054 177.0858 48 R 4.4659 8.3189 121.5661 55.8169 30.9377 175.7489 49 F 4.9583 9.5771 119.3518 56.3168 42.5668 174.6987 50 T 5.2306 9.0434 118.5503 60.4189 69.6968 173.3192 51 V 4.4405 7.9587 125.5599 59.1740 35.1900 175.1407 52 L 4.4936 8.2325 120.9862 54.6437 42.0922 177.5021 53 I 3.9833 8.4180 122.6016 62.3928 38.4754 175.5359 54 S 4.6086 7.7858 114.1217 55.0428 64.3804 171.4595 55 P 4.1156 0.0000 0.0000 64.1634 31.3947 171.7452 56 H 3.7101 9.3963 128.2655 56.2172 30.1689 175.8438 57 V 3.1371 8.7733 127.2281 61.6899 31.3744 169.4447 58 N 4.1769 8.5561 118.6169 53.5127 34.6419 174.4933 59 K 4.1164 8.1995 121.4641 59.7445 33.3991 179.7806 60 D 4.5172 8.1677 117.0840 55.4153 41.5793 179.0801 61 A 4.3301 7.4255 124.4290 53.1585 18.1493 175.2729 62 R 5.0450 8.8216 117.3009 57.6379 29.8636 174.8924 63 D 5.1077 8.4399 119.4468 52.4343 45.1734 174.6873 64 Q 4.5386 8.6251 122.3938 55.8095 29.4905 175.4909 65 Y 4.5031 10.1377 125.0650 56.2019 39.2588 173.5605 66 E 4.7915 8.6149 124.6184 54.5386 31.2699 174.5714 67 I 4.7197 8.0748 127.1953 59.3330 40.7503 174.1520 68 R 4.7890 8.5993 123.3361 54.0841 31.6907 175.9105 69 T 4.6996 7.8833 118.2881 62.4278 69.1278 173.2883 70 H 4.5586 7.6697 120.2957 56.3805 30.0806 176.2274 71 L 4.6851 8.1119 116.6467 55.2308 43.1584 173.5586 72 R 4.4417 8.4732 121.3181 54.7515 32.6924 175.2908 73 L 4.2706 8.7689 122.8561 53.5284 44.9362 180.0051 74 V 3.2975 8.4350 121.8342 62.3386 30.9290 172.2671 75 D 5.0169 9.1543 113.0219 55.0463 38.6116 172.0278 76 I 4.1144 7.2291 122.3679 61.5100 38.3165 176.1722 77 V 4.4915 7.8977 121.9732 61.9550 33.5719 174.5563 78 E 3.5384 8.5336 116.7309 56.4922 25.3971 173.6667 79 P 4.4335 0.0000 0.0000 63.2268 31.2765 176.6319 80 T 4.6457 8.0999 113.5718 59.8135 71.1410 174.2479 81 E 4.2076 8.3791 120.4466 56.9937 29.5724 177.5350 82 K 4.6112 7.8580 114.3811 56.2832 35.1636 177.8992 83 T 4.4728 7.9393 115.6259 63.6777 69.5068 176.3495 84 V 3.7970 7.7556 118.3507 63.8452 31.6288 174.9075 85 D 4.5897 8.3538 116.6489 56.0895 44.3022 177.3680 86 A 4.1099 7.7915 120.4026 54.5578 18.4018 177.8800 87 L 4.8584 7.7338 113.7886 54.8669 42.9024 176.4700 88 M 4.8043 7.9808 114.7222 55.1323 33.6880 174.6733 89 R 4.7173 7.7485 113.3147 58.1154 37.7400 175.7395 90 L 4.3490 7.5551 119.3554 53.6293 40.2624 178.1827 91 D 4.5259 7.4452 116.6143 51.2446 40.5186 175.3999 92 L 4.3701 8.2842 125.9475 54.7118 40.4221 176.1428 93 A 4.6729 8.0744 125.0131 51.1263 22.2702 174.5756 94 A 4.6079 8.5585 121.6676 53.7981 23.4706 177.7870 95 G 4.0884 8.1039 102.4863 45.4806 0.0000 173.0152 96 V 4.6884 7.3599 111.7181 59.2279 35.3777 174.3350 97 D 4.6484 8.4365 122.9222 52.9162 42.8396 176.4571 98 V 4.6699 7.9353 119.5612 59.3361 29.3027 176.6732 99 Q 4.3865 8.1247 127.2749 54.9334 27.1475 176.4930 100 I 4.0376 7.5990 119.7346 61.4911 38.2840 178.4128 101 S 4.7520 7.2404 119.7777 58.5680 69.6718 175.7578 102 L 5.0284 7.5850 117.9985 53.6473 45.1848 176.6546 *103 G 3.7020 8.7605 116.5918 46.8587 0.0000 171.8557 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 5 R 8.11 4.30 0.00 1.86 1.99 0.00 3.08 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 6 I 7.54 4.59 1.87 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 1.11 0.81 0.91 0.00 0.00 7 R 8.42 5.39 0.00 2.22 1.75 0.00 3.13 0.00 0.00 3.31 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 8 I 7.46 4.16 1.86 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 1.34 0.71 0.99 0.00 0.00 9 R 8.21 4.70 0.00 1.69 1.80 0.00 3.25 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 10 L 7.82 5.29 0.00 1.65 1.54 0.95 1.23 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 11 K 7.95 4.41 0.00 1.57 1.57 0.00 1.57 0.00 0.00 1.77 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.33 7.81 12 A 8.73 4.79 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 13 F 7.60 4.90 0.00 3.15 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 14 D 7.50 4.43 0.00 2.60 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 15 H 7.90 4.66 0.00 3.26 3.36 0.00 5.53 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 16 R 7.65 4.12 0.00 1.90 1.98 0.00 3.22 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 17 L 7.74 4.61 0.00 1.64 1.58 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.69 4.36 2.01 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 1.29 0.98 1.02 0.00 0.00 19 D 7.83 4.83 0.00 2.82 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 20 Q 8.18 4.23 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 21 A 7.48 4.63 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 22 T 7.56 4.30 4.44 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 0.00 0.00 0.00 1.21 0.00 0.00 23 A 7.56 4.24 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 24 E 7.84 4.42 0.00 1.94 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 2.20 2.43 0.00 25 I 8.00 4.03 1.98 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 1.53 0.95 0.91 0.00 0.00 26 V 7.69 4.16 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 0.91 0.00 0.00 0.93 0.00 0.00 27 E 7.53 4.49 0.00 2.12 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 0.00 2.23 2.32 0.00 28 T 7.78 4.47 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 29 A 7.77 4.66 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 30 K 8.05 4.18 0.00 1.72 2.00 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.39 7.81 31 R 7.42 4.49 0.00 1.83 1.90 0.00 3.30 0.00 0.00 3.51 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 32 T 7.13 4.06 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 33 G 7.81 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 34 A 8.40 3.88 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 35 Q 5.74 4.07 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 5.76 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 36 V 7.38 3.50 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 0.74 0.00 0.00 1.00 0.00 0.00 37 R 8.21 4.72 0.00 1.88 0.95 0.00 3.49 0.00 0.00 3.45 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.86 0.00 38 G 8.35 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 0.00 0.00 0.00 0.00 39 P 0.00 4.70 0.00 1.95 2.03 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 40 I 8.22 4.41 1.87 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 1.54 0.67 0.91 0.00 0.00 41 P 0.00 4.38 0.00 2.19 2.18 0.00 3.80 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 1.99 2.00 0.00 42 L 7.00 4.00 0.00 1.93 1.74 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.44 0.00 2.17 2.04 0.00 3.71 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 1.98 0.00 44 T 8.08 4.37 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 1.04 0.00 0.00 45 R 8.11 4.32 0.00 1.79 1.90 0.00 3.20 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 46 K 7.70 4.85 0.00 1.70 1.90 0.00 1.79 0.00 0.00 2.15 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.55 7.81 47 E 8.21 4.08 0.00 1.72 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 2.25 1.96 0.00 48 R 8.32 4.47 0.00 1.85 1.96 0.00 2.96 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 49 F 9.58 4.96 0.00 3.15 2.87 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 50 T 9.04 5.23 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 1.31 0.00 0.00 51 V 7.96 4.44 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 0.51 0.00 0.00 0.84 0.00 0.00 52 L 8.23 4.49 0.00 1.63 1.64 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 53 I 8.42 3.98 2.00 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 1.34 0.83 0.94 0.00 0.00 54 S 7.79 4.61 0.00 3.83 3.70 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 55 P 0.00 4.12 0.00 2.23 2.06 0.00 3.97 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 56 H 9.40 3.71 0.00 3.30 3.35 0.00 5.87 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.77 3.14 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 0.75 0.00 0.00 0.89 0.00 0.00 58 N 8.56 4.18 0.00 2.92 2.98 0.00 0.00 6.86 7.61 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 59 K 8.20 4.12 0.00 1.94 2.05 0.00 1.52 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.46 7.81 60 D 8.17 4.52 0.00 2.67 2.79 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 61 A 7.43 4.33 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 62 R 8.82 5.05 0.00 2.05 2.15 0.00 3.25 0.00 0.00 3.88 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 63 D 8.44 5.11 0.00 2.85 2.64 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 64 Q 8.63 4.54 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 65 Y 10.14 4.50 0.00 2.90 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 66 E 8.61 4.79 0.00 2.00 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 2.24 2.29 0.00 67 I 8.07 4.72 2.01 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 1.40 1.33 1.17 0.00 0.00 68 R 8.60 4.79 0.00 1.67 1.88 0.00 3.11 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 69 T 7.88 4.70 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 70 H 7.67 4.56 0.00 3.10 3.26 0.00 5.65 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 71 L 8.11 4.69 0.00 1.90 1.70 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.47 4.44 0.00 1.73 1.84 0.00 3.27 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 73 L 8.77 4.27 0.00 1.59 1.56 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.43 3.30 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 0.73 0.00 0.00 0.93 0.00 0.00 75 D 9.15 5.02 0.00 2.93 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 76 I 7.23 4.11 1.87 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 1.30 0.40 0.91 0.00 0.00 77 V 7.90 4.49 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 0.82 0.00 0.00 0.93 0.00 0.00 78 E 8.53 3.54 0.00 2.32 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 2.28 2.37 0.00 79 P 0.00 4.43 0.00 2.03 2.04 0.00 3.64 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 80 T 8.10 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 1.33 0.00 0.00 81 E 8.38 4.21 0.00 1.98 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 2.30 2.27 0.00 82 K 7.86 4.61 0.00 1.79 1.74 0.00 1.52 0.00 0.00 2.05 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.49 7.81 83 T 7.94 4.47 4.36 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 1.21 0.00 0.00 84 V 7.76 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 0.75 0.00 0.00 1.06 0.00 0.00 85 D 8.35 4.59 0.00 2.76 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 86 A 7.79 4.11 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 87 L 7.73 4.86 0.00 1.59 1.61 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 88 M 7.98 4.80 0.00 1.91 2.14 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 2.46 2.52 0.00 89 R 7.75 4.72 0.00 1.92 1.89 0.00 3.25 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 90 L 7.56 4.35 0.00 1.80 1.64 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 91 D 7.45 4.53 0.00 2.69 2.64 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 92 L 8.28 4.37 0.00 1.77 1.76 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.07 4.67 1.20 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 0.00 0.00 94 A 8.56 4.61 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.10 4.09 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 0.00 0.00 0.00 96 V 7.36 4.69 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 0.70 0.00 0.00 0.90 0.00 0.00 97 D 8.44 4.65 0.00 2.74 2.45 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 98 V 7.94 4.67 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 0.76 0.00 0.00 0.92 0.00 0.00 99 Q 8.12 4.39 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 100 I 7.60 4.04 1.87 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 1.39 0.69 0.91 0.00 0.00 101 S 7.24 4.75 0.00 3.94 3.49 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 0.00 0.00 0.00 0.00 102 L 7.58 5.03 0.00 1.55 1.14 0.92 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 *103 G 8.76 3.70 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.