NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 E 3.9235 8.4449 118.7518 55.8120 30.8629 173.6853 8 F 4.6473 8.7160 116.6567 55.6306 41.8854 172.8487 9 A 4.9554 9.1871 128.6886 49.5812 22.9154 174.7553 10 L 4.1902 8.5985 119.9934 56.5846 41.9978 178.6993 11 G 3.9761 9.6513 112.1719 45.6857 0.0000 174.1032 12 G 3.8815 8.0910 107.6896 45.9569 0.0000 173.7888 13 R 4.8379 8.2969 119.9587 56.2246 31.4354 175.0734 14 C 4.8738 8.1946 113.7245 58.0441 33.5754 172.3842 15 L 5.3289 8.9722 118.9532 53.0124 44.5864 175.9098 16 A 5.2263 8.9146 123.5647 50.2634 22.9776 175.3735 17 F 4.7001 9.2663 121.1047 57.7272 39.9022 175.3546 18 H 4.6955 9.3952 122.8503 55.2913 31.2756 174.1041 19 G 3.9918 8.7049 117.8436 44.8811 0.0000 170.4672 20 P 4.5855 0.0000 0.0000 63.7977 32.2511 175.7838 21 L 4.8603 7.8553 118.7655 53.3545 45.4533 174.8709 22 M 4.6214 7.8367 119.4428 54.1931 33.8079 175.3215 23 Y 4.7740 8.6329 118.6298 56.0527 43.1538 174.1787 24 E 4.6793 8.8026 122.5939 56.3425 31.3836 175.2599 25 A 4.9563 8.8971 126.8518 50.3506 23.7702 174.2369 26 K 4.7858 8.5867 119.8578 54.6513 35.3353 175.0881 27 I 4.2424 8.5258 128.4333 61.1623 37.5518 176.2584 28 L 4.0272 9.2321 127.6224 55.3556 44.0156 176.7378 29 K 5.6490 7.7081 116.3580 54.6427 37.1740 175.3789 30 I 4.9190 8.2772 120.7733 59.3972 40.5718 174.3914 31 W 5.0757 9.4086 135.0000 56.5323 32.5855 174.3824 32 D 4.4950 7.7809 126.4087 51.7367 41.9872 175.0948 33 P 4.0306 0.0000 0.0000 65.6314 31.8001 178.3604 34 S 4.1401 7.9528 114.0587 61.6144 62.6793 175.7345 35 S 4.2004 7.8660 111.2779 58.0207 63.4479 173.7206 36 K 2.7419 7.0029 119.2453 57.4651 30.2963 174.5581 37 M 5.1004 6.8366 115.0458 53.6187 36.8154 174.5563 38 Y 5.5988 8.3446 119.3939 55.5787 41.9685 174.4616 39 T 4.9898 8.9113 110.4086 60.6126 71.5858 173.5772 40 S 5.6468 8.8379 117.5280 56.0039 67.4198 173.0164 41 I 4.5338 8.1957 114.6646 58.4768 39.3286 174.1892 42 P 4.3893 0.0000 0.0000 64.1000 30.9597 176.6468 *57 K 4.2180 7.6857 117.0270 55.7014 33.2092 174.4651 58 P 4.6987 0.0000 0.0000 64.5956 32.2920 176.1558 59 Q 4.4938 8.1463 118.8139 54.7444 32.2255 174.3737 60 K 4.7460 8.3938 120.6335 55.4865 33.7134 176.6818 61 L 4.2839 8.6117 121.9384 54.8972 41.9259 178.0667 62 G 3.9128 10.3129 114.3527 44.5832 0.0000 174.0104 63 E 3.8298 8.6656 120.0064 59.2902 29.3415 177.7538 64 D 4.8483 8.0311 114.0644 53.9846 41.2495 175.9204 65 E 4.6239 7.7980 119.4892 55.2934 31.1670 175.4745 66 S 4.4011 7.6536 112.6320 57.9221 65.0356 175.2447 67 I 4.1108 7.5582 121.6750 58.2704 39.9490 173.9184 68 P 4.1803 0.0000 0.0000 63.0463 31.5329 177.2386 69 E 3.9419 8.7965 122.4251 59.0377 29.6169 178.3033 70 E 4.1558 8.1826 117.7192 58.3150 29.8546 177.3079 71 I 4.5483 7.8869 109.6310 60.0429 38.8281 176.9501 72 I 3.5688 7.7236 120.7677 63.4810 37.8883 175.7912 73 N 4.7186 8.2352 115.4557 53.8275 38.8608 174.1313 74 G 4.3282 7.6786 105.4820 43.5564 0.0000 173.0710 75 K 4.4136 8.6953 121.0679 56.7852 33.1089 175.4714 76 C 5.4103 8.5945 123.0680 58.0568 32.6830 172.9197 77 F 5.3036 9.2373 118.4991 55.9219 43.1096 173.7351 78 F 4.3802 8.7133 126.6599 56.8126 40.0209 174.3937 79 I 4.6956 7.7092 120.0697 59.0938 40.9290 173.8489 80 H 4.8692 8.4037 123.8057 54.3487 32.1695 172.7984 81 Y 4.0275 7.9846 124.0232 57.2358 38.8091 175.2932 82 Q 4.0180 8.2923 126.3267 57.6413 29.4251 176.7613 83 G 4.1064 9.1216 113.0084 45.3532 0.0000 172.7878 84 W 4.9600 7.7306 119.0653 54.2055 31.7206 176.0937 85 K 4.4360 8.6626 119.8288 56.6305 32.9535 178.3178 86 S 5.3025 9.0231 114.5879 60.2816 63.1024 176.2067 87 S 4.1796 8.0586 115.0675 60.2961 62.8768 174.8763 88 W 4.6612 8.1753 119.8151 57.5233 29.6200 176.3359 89 D 4.6266 8.0604 120.0093 55.1442 41.4593 175.4417 90 E 4.8859 7.5086 118.1082 55.4089 33.5317 173.9290 91 W 5.1010 8.8714 120.2795 56.2033 30.4240 176.5743 92 V 4.6000 9.2096 116.7427 59.8650 36.0184 175.4197 93 G 4.5031 8.4717 110.6506 44.4484 0.0000 173.6949 94 Y 4.5720 8.7135 116.1086 59.6966 38.0188 177.5264 95 D 4.5461 8.3515 119.8011 57.0328 41.5879 176.7603 96 R 4.8099 8.3669 115.6912 55.8755 32.8762 175.4469 97 I 4.6732 7.8268 118.9692 60.0546 39.3024 174.9377 98 R 5.1481 9.5288 126.2172 54.1321 34.8361 174.4959 99 A 3.9608 8.8059 123.3436 52.2965 19.2699 177.4704 100 Y 4.3037 8.5398 123.1424 57.2058 38.3317 174.0956 101 N 4.8264 7.9352 122.3351 49.6762 40.8945 175.2649 102 E 3.7561 8.8814 119.0635 59.7864 29.4210 178.8875 103 E 3.9007 8.0585 117.6659 59.5956 29.5288 178.9828 104 N 4.3935 8.7767 116.7795 56.0490 38.5489 177.6777 105 I 3.5162 7.9557 121.6509 64.1219 37.0254 178.2826 106 A 3.9169 8.1456 121.8950 55.1747 18.1986 179.3213 107 M 3.9067 7.8436 116.6910 58.5526 32.4013 178.0695 108 K 3.6465 8.1101 119.9642 59.7036 32.3293 178.6581 109 K 3.8697 8.0859 118.5014 59.5520 31.9502 179.3270 110 R 3.8976 8.2329 119.0893 59.3600 29.9908 178.6282 111 L 3.9998 8.0618 118.6811 57.5253 41.6092 179.1830 112 A 3.9572 7.8466 120.5847 55.4805 18.3774 179.5620 113 N 4.3666 8.2120 114.7363 56.1967 38.4558 177.6754 114 E 3.9781 8.2732 120.2228 59.2966 29.5415 179.1573 115 A 3.9954 8.1206 120.9288 54.7825 18.4176 179.5600 116 K 3.9052 8.1107 118.4045 59.6921 32.2439 178.6916 117 E 3.9831 8.3190 119.4027 58.9589 29.6179 178.6056 118 A 3.9784 8.2794 121.4286 54.7408 18.4444 179.4536 119 K 3.8062 8.4735 118.6111 59.5813 31.9243 178.7812 120 K 3.8978 8.0123 119.8022 59.6688 32.0174 178.6623 121 S 4.2002 8.1979 115.4727 61.7444 62.6340 176.7958 122 L 4.1025 7.6701 120.8110 58.4826 40.4239 178.4958 123 L 4.0561 7.8201 120.6816 58.1310 42.2051 178.4092 124 E 4.2077 8.0075 118.3463 59.3743 29.4302 178.2425 125 H 4.1912 8.0042 112.7909 57.7953 28.6770 176.7524 126 H 4.1445 8.4852 120.9005 58.5223 29.5674 174.5083 127 H 4.1973 7.4435 121.5380 55.0992 28.4661 174.6468 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 7 E 8.44 3.92 0.00 2.14 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 0.00 2.14 2.31 0.00 8 F 8.72 4.65 0.00 3.25 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 9 A 9.19 4.96 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 10 L 8.60 4.19 0.00 1.71 1.71 0.99 1.07 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 11 G 9.65 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 12 G 8.09 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 0.00 0.00 0.00 13 R 8.30 4.84 0.00 1.34 1.37 0.00 2.54 0.00 0.00 2.94 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.39 0.00 14 C 8.19 4.87 0.00 3.28 3.13 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 15 L 8.97 5.33 0.00 1.55 1.47 0.75 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.91 5.23 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 17 F 9.27 4.70 0.00 2.98 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 18 H 9.40 4.70 0.00 2.89 3.18 0.00 5.79 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.70 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 20 P 0.00 4.59 0.00 2.26 2.23 0.00 3.83 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 21 L 7.86 4.86 0.00 1.45 1.22 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 22 M 7.84 4.62 0.00 1.45 1.51 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.01 0.00 23 Y 8.63 4.77 0.00 2.74 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 24 E 8.80 4.68 0.00 2.10 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 25 A 8.90 4.96 0.71 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 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.59 4.79 0.00 1.72 1.55 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.45 7.81 27 I 8.53 4.24 2.11 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.74 1.14 0.00 0.00 28 L 9.23 4.03 0.00 1.72 1.73 0.95 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.71 5.65 0.00 1.19 1.69 0.00 0.73 0.00 0.00 0.82 0.00 0.00 2.60 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.39 1.16 7.81 30 I 8.28 4.92 1.99 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.01 0.86 0.00 0.00 31 W 9.41 5.08 0.00 3.35 3.08 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 32 D 7.78 4.50 0.00 2.54 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 0.00 0.00 0.00 0.00 33 P 0.00 4.03 0.00 2.05 2.18 0.00 3.58 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.40 0.00 34 S 7.95 4.14 0.00 3.89 3.84 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 35 S 7.87 4.20 0.00 3.82 3.84 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 36 K 7.00 2.74 0.00 1.81 2.01 0.00 1.66 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.42 7.81 37 M 6.84 5.10 0.00 1.81 1.70 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 2.70 2.39 0.00 38 Y 8.34 5.60 0.00 3.48 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 39 T 8.91 4.99 4.33 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 1.24 0.00 0.00 40 S 8.84 5.65 0.00 3.85 3.86 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 41 I 8.20 4.53 1.90 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 1.57 0.66 0.95 0.00 0.00 42 P 0.00 4.39 0.00 2.08 2.14 0.00 3.73 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 *57 K 7.69 4.22 0.00 1.78 1.95 0.00 1.61 0.00 0.00 1.92 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.50 7.81 58 P 0.00 4.70 0.00 1.87 1.95 0.00 3.64 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 59 Q 8.15 4.49 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 1.67 1.42 0.00 60 K 8.39 4.75 0.00 1.68 1.84 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.43 7.81 61 L 8.61 4.28 0.00 1.69 1.64 0.51 0.74 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 62 G 10.31 3.91 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 0.00 0.00 0.00 63 E 8.67 3.83 0.00 1.94 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 2.39 0.00 64 D 8.03 4.85 0.00 2.69 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 65 E 7.80 4.62 0.00 2.19 1.89 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 2.26 2.26 0.00 66 S 7.65 4.40 0.00 3.80 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 67 I 7.56 4.11 0.91 0.00 0.00 -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 -0.30 -0.36 0.25 0.00 0.00 68 P 0.00 4.18 0.00 2.16 2.11 0.00 3.54 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 2.18 2.16 0.00 69 E 8.80 3.94 0.00 1.93 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 2.27 2.27 0.00 70 E 8.18 4.16 0.00 1.95 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 2.33 2.37 0.00 71 I 7.89 4.55 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.78 0.96 0.00 0.00 72 I 7.72 3.57 1.76 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.09 0.89 0.00 0.00 73 N 8.24 4.72 0.00 2.80 2.89 0.00 0.00 6.71 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 74 G 7.68 4.33 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 0.00 75 K 8.70 4.41 0.00 2.01 1.73 0.00 2.06 0.00 0.00 1.97 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.90 1.47 7.81 76 C 8.59 5.41 0.00 3.04 3.02 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 0.00 0.00 0.00 77 F 9.24 5.30 0.00 2.79 2.80 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 0.00 0.00 0.00 78 F 8.71 4.38 0.00 1.51 2.18 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 79 I 7.71 4.70 1.37 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.08 0.68 0.00 0.00 80 H 8.40 4.87 0.00 3.19 3.05 0.00 5.58 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 7.98 4.03 0.00 2.05 1.43 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 0.00 0.00 0.00 0.00 82 Q 8.29 4.02 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.66 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 83 G 9.12 4.11 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 0.00 0.00 0.00 84 W 7.73 4.96 0.00 3.31 3.04 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 85 K 8.66 4.44 0.00 2.05 2.06 0.00 1.53 0.00 0.00 1.94 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.79 1.59 7.81 86 S 9.02 5.30 0.00 4.26 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 87 S 8.06 4.18 0.00 3.85 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 88 W 8.18 4.66 0.00 3.75 3.56 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 0.00 0.00 0.00 0.00 89 D 8.06 4.63 0.00 2.83 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 0.00 0.00 0.00 0.00 90 E 7.51 4.89 0.00 2.06 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 0.00 2.50 2.27 0.00 91 W 8.87 5.10 0.00 3.19 3.14 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 92 V 9.21 4.60 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 0.79 0.00 0.00 0.96 0.00 0.00 93 G 8.47 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 8.71 4.57 0.00 3.13 3.04 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 95 D 8.35 4.55 0.00 2.70 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 96 R 8.37 4.81 0.00 1.89 2.11 0.00 3.24 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 97 I 7.83 4.67 1.64 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.70 0.35 0.00 0.00 98 R 9.53 5.15 0.00 1.77 1.83 0.00 3.55 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 99 A 8.81 3.96 0.99 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 0.00 100 Y 8.54 4.30 0.00 2.95 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 0.00 101 N 7.94 4.83 0.00 2.84 2.76 0.00 0.00 5.75 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 0.00 102 E 8.88 3.76 0.00 2.02 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 2.34 2.43 0.00 103 E 8.06 3.90 0.00 2.16 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 2.37 2.44 0.00 104 N 8.78 4.39 0.00 2.70 2.78 0.00 0.00 7.06 7.04 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 0.00 105 I 7.96 3.52 1.81 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.32 0.78 0.00 0.00 106 A 8.15 3.92 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 0.00 107 M 7.84 3.91 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.60 0.00 108 K 8.11 3.65 0.00 1.72 1.89 0.00 1.53 0.00 0.00 1.53 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.24 7.81 109 K 8.09 3.87 0.00 1.93 1.81 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.51 7.81 110 R 8.23 3.90 0.00 2.03 1.99 0.00 3.26 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 1.81 0.00 111 L 8.06 4.00 0.00 1.86 1.72 1.11 0.72 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 0.00 112 A 7.85 3.96 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 0.00 113 N 8.21 4.37 0.00 2.75 2.87 0.00 0.00 7.09 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 0.00 114 E 8.27 3.98 0.00 2.16 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 2.44 2.47 0.00 115 A 8.12 4.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 8.11 3.91 0.00 1.99 2.00 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 117 E 8.32 3.98 0.00 2.35 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 2.30 2.36 0.00 118 A 8.28 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.47 3.81 0.00 1.82 2.05 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 120 K 8.01 3.90 0.00 1.97 1.97 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.50 7.81 121 S 8.20 4.20 0.00 4.06 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 0.00 122 L 7.67 4.10 0.00 1.80 1.78 0.84 0.93 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 0.00 123 L 7.82 4.06 0.00 1.98 1.75 0.89 0.83 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 0.00 124 E 8.01 4.21 0.00 2.08 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 0.00 2.34 2.66 0.00 125 H 8.00 4.19 0.00 3.04 3.33 0.00 5.86 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 H 8.49 4.14 0.00 3.42 3.21 0.00 5.80 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 H 7.44 4.20 0.00 3.25 3.25 0.00 5.81 0.00 0.00 0.00 0.00 6.91 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.