NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 G 3.9251 8.3431 109.7435 45.9232 0.0000 175.2748 15 G 3.4405 8.4651 108.3388 46.6084 0.0000 173.7580 *16 K 4.7381 8.9716 129.6573 53.6463 35.5903 172.7295 *17 K 4.7249 8.6589 127.4518 52.6296 35.5927 172.6665 18 K 5.0258 8.2856 122.8187 53.7076 37.9073 175.4012 19 G 4.3739 8.5505 107.0391 45.2913 0.0000 171.9480 20 S 4.9707 9.7561 123.7462 57.1135 64.9369 173.5935 21 V 4.8065 9.0563 119.9058 59.5866 34.1258 174.9703 22 S 5.1324 9.3487 121.2077 56.5132 64.9014 172.2482 23 F 4.0874 8.7182 129.4076 56.2837 40.9911 174.2953 24 V 4.6499 7.4527 125.3849 61.0450 34.3029 174.5637 25 I 4.5990 8.2253 125.3696 59.4010 39.6508 174.9021 26 D 4.7659 8.5106 123.4365 51.5001 42.3219 174.6262 27 C 4.7037 8.3495 120.8965 58.1077 32.6591 173.3001 28 S 4.4862 8.4794 119.3702 58.4382 65.1230 175.0053 29 K 4.2102 9.5053 121.5561 55.6925 31.0356 173.6878 30 P 4.7811 0.0000 0.0000 61.5375 33.3030 173.7156 31 V 4.3797 7.6072 130.2781 61.8297 28.4906 170.3655 32 E 4.7145 7.6530 114.6202 54.6784 30.5953 174.8990 33 D 4.5493 8.6165 115.1474 51.6740 44.8556 173.2935 34 K 3.7154 7.6011 126.9028 55.7496 31.6163 174.6485 35 I 4.2333 7.1866 115.8219 60.7653 40.3085 174.5302 36 M 4.8682 9.4839 121.3631 54.9221 32.9191 175.2030 37 E 5.7274 8.6738 130.8867 56.3479 30.7066 177.9956 38 I 3.8217 8.0550 123.4295 64.5996 37.1399 178.4075 39 A 3.8270 8.0142 121.0132 55.3105 18.3413 179.6141 40 S 4.0123 8.0131 113.6515 61.5365 62.8813 176.8172 41 L 3.8748 7.8164 122.4501 58.0269 42.0048 178.3273 42 E 3.8980 8.7956 120.0433 59.3927 29.4982 178.9507 43 K 3.9734 8.5249 118.8081 59.2506 32.1162 179.1239 44 F 3.1342 7.7162 120.4150 60.8829 39.0669 177.1736 45 L 3.8543 7.9867 118.7361 57.7652 41.4835 179.4507 46 Q 3.9548 8.3334 117.9835 59.4804 28.3416 178.6398 47 E 4.0070 7.9421 120.6560 58.9090 29.5658 179.2484 48 R 4.1842 7.4058 119.5947 58.9922 30.0198 178.6594 49 I 3.6667 7.9116 119.8721 64.0990 36.8535 178.1663 50 K 3.8484 8.1193 119.5827 59.6203 32.1261 178.7737 51 V 3.6763 7.7477 116.7106 65.9580 31.6847 177.0804 52 A 4.0862 7.7433 120.2550 54.9172 18.4769 178.4275 53 G 3.5995 7.9763 104.6120 46.1526 0.0000 170.7825 54 G 3.7944 8.5115 117.0985 45.0671 0.0000 172.6832 55 K 4.7060 7.8098 134.7886 56.0302 34.3480 173.3169 56 A 4.5186 9.4637 129.8979 51.2651 19.6808 175.9203 57 G 4.2600 9.2439 112.9534 45.9112 0.0000 172.8909 58 N 4.0795 7.2066 116.8500 54.9981 38.9512 174.4072 59 L 4.2474 6.9687 120.4081 54.0196 43.6026 178.4601 60 G 3.8279 10.4150 118.2814 47.1736 0.0000 171.4463 61 D 5.2503 7.6709 121.3327 53.8489 41.9803 174.9869 62 S 4.8052 8.3574 114.8861 56.7423 66.2447 173.1175 63 V 4.3513 8.3928 123.7921 61.6572 32.9765 174.8363 64 T 4.8935 8.8116 124.4553 61.7036 71.6377 173.5138 65 V 5.1207 8.3471 124.2836 60.3286 34.5960 174.4036 66 T 4.8361 8.7549 112.5346 59.9579 72.7906 172.5555 67 R 4.9398 8.3728 121.0240 54.5915 32.9649 175.3395 68 D 4.7716 8.7042 125.1622 53.2512 43.0290 175.7038 69 K 4.0211 8.7161 118.3353 60.6194 32.8807 177.2660 70 T 4.6401 7.2318 111.4745 58.1658 67.3194 173.0870 71 K 4.4917 7.4975 120.0106 55.4452 37.5752 175.9713 72 V 4.6455 8.4690 125.4451 60.3205 34.0054 174.6121 73 T 4.7384 8.9864 120.6389 60.4262 69.2892 172.8493 74 V 4.7724 8.9130 130.4339 61.4707 33.8577 174.1142 75 T 4.9136 9.1691 123.3404 60.2853 69.8883 172.3640 76 S 5.0249 8.6761 123.4757 56.1171 65.4891 173.6514 77 D 5.0400 8.4456 128.3643 53.3933 38.1632 174.9687 78 G 3.7891 7.6000 112.8856 44.3159 0.0000 169.2665 79 A 3.4456 8.0373 125.4350 52.0732 19.1602 177.2081 80 F 5.1273 7.1749 119.7659 58.1690 38.9984 177.9650 81 S 4.7872 8.8772 121.7860 60.0157 64.8988 174.8810 82 K 3.8150 8.5836 119.8380 56.1865 30.0766 180.7424 83 R 2.5100 7.9924 127.5424 58.8817 30.7560 177.4549 84 Y 4.4211 6.6498 113.8181 60.9004 37.3208 178.3307 85 L 4.4387 8.1402 119.4095 56.5175 41.9768 179.0870 86 K 3.9184 7.8646 117.0896 58.8993 31.8167 178.6048 87 Y 4.5486 7.4225 115.0726 61.2878 37.3203 178.2548 88 L 4.2061 8.0274 119.8993 57.3905 42.0707 179.1506 89 T 4.3378 7.7415 109.7099 65.1535 68.1954 176.3063 90 K 3.8385 7.4542 118.8429 59.2205 32.2040 179.0049 91 K 3.7746 6.9541 116.1199 59.5410 31.5676 178.7673 92 Y 4.3060 6.3787 116.3234 60.8104 37.6958 177.6460 93 L 4.7185 7.3169 117.7240 56.7850 41.7467 178.2862 94 K 4.4497 7.6856 114.9107 55.6799 33.4995 176.7084 95 K 4.0736 7.5824 116.7543 60.5074 32.5473 176.8778 96 H 4.5965 7.8530 116.2858 55.4878 32.9613 171.5796 97 N 4.6008 9.0615 123.6105 54.2371 39.4222 175.2710 98 V 3.8795 8.6691 117.4859 62.8397 31.7689 175.5384 99 R 4.8356 7.9099 116.6784 53.9909 31.9957 174.1371 100 D 4.6543 9.5369 116.9884 57.0685 39.9422 176.1937 101 W 3.8089 8.9817 122.2130 56.4382 26.2259 174.7039 102 L 4.7497 8.0314 118.6974 55.3923 42.6047 176.0385 103 R 4.6287 7.3019 112.5500 55.2980 32.4377 173.9196 104 V 4.1987 8.4110 127.7028 61.0956 31.2488 170.0311 105 I 4.0650 6.9852 119.2787 62.5054 38.4534 173.4389 106 A 4.3835 9.2596 120.7290 53.8665 19.9687 177.8088 107 A 3.7197 8.2165 120.2319 55.3576 18.1821 177.9433 108 N 4.4959 8.7236 116.5271 52.6442 36.9406 173.7476 109 K 4.3756 7.8266 115.1038 56.8161 32.3141 177.4494 110 D 4.4948 7.8441 117.9810 54.3848 41.7452 175.8210 111 R 3.8215 8.5078 121.6679 57.8165 29.5685 176.7732 112 N 4.5586 8.5704 119.5991 52.3450 39.1902 176.6006 113 V 4.0412 7.9563 123.6373 61.0726 33.1557 174.6886 114 Y 5.3667 7.7346 121.0818 55.2120 40.9516 174.4701 115 E 4.6527 9.6235 121.8951 54.6079 32.3250 174.7671 116 L 4.7819 8.8851 127.7280 54.1369 43.0600 175.7453 117 R 4.3994 8.6486 126.3796 55.1639 31.5941 175.3574 118 Y 5.0124 7.3070 123.6128 55.4511 40.9621 176.1049 *119 F 4.3999 8.8163 123.3516 57.8208 39.0435 176.3113 *120 N 4.6502 8.7955 119.5018 53.0864 38.4239 176.9808 *121 I 4.3073 7.9974 115.9403 60.4635 36.6843 176.1637 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 14 G 8.34 3.93 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 15 G 8.47 3.44 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 0.00 0.00 0.00 0.00 *16 K 8.97 4.74 0.00 1.51 1.55 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.23 0.97 7.81 *17 K 8.66 4.72 0.00 1.47 1.55 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 1.00 7.81 18 K 8.29 5.03 0.00 1.60 1.73 0.00 1.66 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.38 7.81 19 G 8.55 4.37 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 0.00 0.00 0.00 20 S 9.76 4.97 0.00 3.78 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 21 V 9.06 4.81 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 0.99 0.00 0.00 1.28 0.00 0.00 22 S 9.35 5.13 0.00 3.82 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 23 F 8.72 4.09 0.00 1.93 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 24 V 7.45 4.65 1.88 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 0.84 0.00 0.00 0.77 0.00 0.00 25 I 8.23 4.60 1.91 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.78 0.94 0.00 0.00 26 D 8.51 4.77 0.00 2.68 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 27 C 8.35 4.70 0.00 2.92 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 28 S 8.48 4.49 0.00 3.98 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 29 K 9.51 4.21 0.00 1.85 2.19 0.00 1.99 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 1.32 7.81 30 P 0.00 4.78 0.00 2.03 1.91 0.00 3.76 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 1.73 1.81 0.00 31 V 7.61 4.38 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 0.33 0.00 0.00 0.02 0.00 0.00 32 E 7.65 4.71 0.00 2.32 2.26 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 2.21 2.30 0.00 33 D 8.62 4.55 0.00 2.65 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 34 K 7.60 3.72 0.00 1.89 2.05 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.25 1.21 7.81 35 I 7.19 4.23 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.21 0.94 0.00 0.00 36 M 9.48 4.87 0.00 2.01 1.86 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 37 E 8.67 5.73 0.00 2.33 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 2.10 2.17 0.00 38 I 8.05 3.82 1.88 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 1.58 0.89 0.96 0.00 0.00 39 A 8.01 3.83 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 40 S 8.01 4.01 0.00 3.94 4.12 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 41 L 7.82 3.87 0.00 1.84 1.83 0.96 0.89 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 42 E 8.80 3.90 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 2.29 2.35 0.00 43 K 8.52 3.97 0.00 1.80 1.87 0.00 1.74 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.57 1.60 7.81 44 F 7.72 3.13 0.00 1.96 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.99 3.85 0.00 1.94 1.69 0.96 0.85 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 46 Q 8.33 3.95 0.00 2.22 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 47 E 7.94 4.01 0.00 2.33 2.17 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 2.38 2.51 0.00 48 R 7.41 4.18 0.00 1.17 1.75 0.00 3.27 0.00 0.00 3.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.39 0.00 49 I 7.91 3.67 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 1.39 0.61 0.90 0.00 0.00 50 K 8.12 3.85 0.00 1.84 1.96 0.00 1.68 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.48 7.81 51 V 7.75 3.68 2.06 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 0.83 0.00 0.00 0.96 0.00 0.00 52 A 7.74 4.09 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 53 G 7.98 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 0.00 0.00 0.00 54 G 8.51 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 55 K 7.81 4.71 0.00 1.84 1.76 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.17 1.16 7.81 56 A 9.46 4.52 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 57 G 9.24 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 0.00 0.00 0.00 0.00 58 N 7.21 4.08 0.00 2.78 2.99 0.00 0.00 6.71 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 59 L 6.97 4.25 0.00 1.47 0.75 0.96 0.87 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 60 G 10.42 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 61 D 7.67 5.25 0.00 2.61 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 62 S 8.36 4.81 0.00 3.76 3.76 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 0.00 0.00 0.00 63 V 8.39 4.35 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 0.82 0.00 0.00 0.93 0.00 0.00 64 T 8.81 4.89 4.37 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 1.22 0.00 0.00 65 V 8.35 5.12 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 0.78 0.00 0.00 0.97 0.00 0.00 66 T 8.75 4.84 4.25 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 1.22 0.00 0.00 67 R 8.37 4.94 0.00 1.75 1.80 0.00 3.24 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 68 D 8.70 4.77 0.00 2.73 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 69 K 8.72 4.02 0.00 1.86 1.95 0.00 1.51 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.43 7.81 70 T 7.23 4.64 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 1.20 0.00 0.00 71 K 7.50 4.49 0.00 1.80 1.61 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.35 1.36 7.81 72 V 8.47 4.65 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 0.83 0.00 0.00 1.01 0.00 0.00 73 T 8.99 4.74 4.25 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 1.22 0.00 0.00 74 V 8.91 4.77 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 1.07 0.00 0.00 1.10 0.00 0.00 75 T 9.17 4.91 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 1.29 0.00 0.00 76 S 8.68 5.02 0.00 3.97 3.66 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 77 D 8.45 5.04 0.00 2.73 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 78 G 7.60 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 79 A 8.04 3.45 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 80 F 7.17 5.13 0.00 3.23 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 81 S 8.88 4.79 0.00 4.00 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 82 K 8.58 3.82 0.00 1.79 0.90 0.00 1.78 0.00 0.00 1.80 0.00 0.00 2.75 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.38 7.81 83 R 7.99 2.51 0.00 1.10 0.66 0.00 2.92 0.00 0.00 3.06 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.20 0.00 84 Y 6.65 4.42 0.00 3.17 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 85 L 8.14 4.44 0.00 1.26 1.75 1.28 0.94 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 86 K 7.86 3.92 0.00 1.88 1.96 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.44 7.81 87 Y 7.42 4.55 0.00 2.91 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 88 L 8.03 4.21 0.00 2.02 2.08 1.14 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 89 T 7.74 4.34 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 1.68 0.00 0.00 90 K 7.45 3.84 0.00 1.67 1.82 0.00 1.72 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.64 1.59 7.81 91 K 6.95 3.77 0.00 0.91 1.37 0.00 1.51 0.00 0.00 1.53 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.25 1.21 7.81 92 Y 6.38 4.31 0.00 3.22 3.03 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 93 L 7.32 4.72 0.00 1.58 1.66 0.82 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 94 K 7.69 4.45 0.00 1.60 1.72 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.27 1.33 7.81 95 K 7.58 4.07 0.00 1.88 2.04 0.00 1.58 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.48 1.48 7.81 96 H 7.85 4.60 0.00 3.11 3.16 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 N 9.06 4.60 0.00 2.94 3.15 0.00 0.00 7.16 7.71 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 98 V 8.67 3.88 2.29 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 0.97 0.00 0.00 1.04 0.00 0.00 99 R 7.91 4.84 0.00 2.10 2.25 0.00 3.24 0.00 0.00 3.40 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 100 D 9.54 4.65 0.00 2.64 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 0.00 101 W 8.98 3.81 0.00 3.43 3.66 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 0.00 102 L 8.03 4.75 0.00 1.87 1.81 1.00 1.05 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 0.00 103 R 7.30 4.63 0.00 1.84 1.94 0.00 3.10 0.00 0.00 2.72 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.43 0.00 104 V 8.41 4.20 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 0.68 0.00 0.00 0.95 0.00 0.00 105 I 6.99 4.06 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 1.33 0.80 0.89 0.00 0.00 106 A 9.26 4.38 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 0.00 107 A 8.22 3.72 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.72 4.50 0.00 2.88 3.13 0.00 0.00 7.12 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 0.00 109 K 7.83 4.38 0.00 1.21 0.82 0.00 1.52 0.00 0.00 1.66 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.30 7.81 110 D 7.84 4.49 0.00 2.61 2.57 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 0.00 0.00 0.00 0.00 111 R 8.51 3.82 0.00 1.84 1.74 0.00 3.28 0.00 0.00 3.34 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.66 0.00 112 N 8.57 4.56 0.00 2.33 2.23 0.00 0.00 5.98 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 0.00 113 V 7.96 4.04 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 0.68 0.00 0.00 0.70 0.00 0.00 114 Y 7.73 5.37 0.00 3.06 3.06 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 0.00 115 E 9.62 4.65 0.00 2.04 1.94 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 2.19 2.36 0.00 116 L 8.89 4.78 0.00 1.86 1.82 1.16 0.96 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 0.00 117 R 8.65 4.40 0.00 1.86 1.69 0.00 3.19 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.44 0.00 118 Y 7.31 5.01 0.00 2.81 2.76 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 0.00 0.00 0.00 *119 F 8.82 4.40 0.00 2.09 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 0.00 0.00 0.00 0.00 *120 N 8.80 4.65 0.00 2.74 2.63 0.00 0.00 6.34 7.72 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 *121 I 8.00 4.31 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 1.27 1.23 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.