NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 M 4.4404 8.3049 118.1965 54.5419 33.3544 175.4838 102 E 4.0428 8.0128 119.7050 54.8918 30.3550 174.6642 103 G 4.2163 8.7403 114.6597 45.4544 0.0000 172.8248 104 I 3.8128 8.3894 122.3761 63.5990 37.3452 176.5906 105 S 4.5444 7.3607 110.4732 57.2168 64.9994 175.0692 106 I 3.9816 7.8990 119.1369 59.9797 39.6723 174.1137 107 Y 4.2582 7.7914 118.8000 59.2997 37.5826 177.1979 108 T 4.0559 8.4395 122.9594 63.6242 66.6423 170.6593 109 S 3.6912 8.3066 121.8959 57.9096 60.3143 170.3312 110 D 4.3428 8.4467 125.7073 55.6168 41.6298 173.5913 111 N 4.5031 8.0365 117.8727 54.1095 36.1434 170.6738 112 Y 4.9306 7.8602 119.6856 56.1001 39.7591 175.0009 113 T 3.9203 7.7659 124.9195 62.0168 68.1167 174.2071 114 E 3.7825 8.5326 125.4003 56.8331 29.3791 176.8161 115 E 4.2616 8.2945 125.0774 54.2422 29.5184 169.2275 116 M 3.2329 8.4959 130.6092 54.4364 31.2876 177.7715 117 G 3.6302 8.6896 111.5755 45.5180 0.0000 174.2806 118 S 3.9911 8.2436 116.8226 58.4550 62.0247 171.8221 119 G 3.9993 8.5447 106.3583 46.6567 0.0000 169.6804 120 D 4.7336 8.3063 124.1105 53.9731 41.5821 171.8021 121 Y 4.2724 7.8623 125.1372 57.3430 40.7020 174.4538 122 D 4.4059 8.1595 115.1030 54.5340 45.0943 177.1508 123 S 3.6158 8.6141 122.7241 59.8635 61.3388 170.0844 124 M 4.7326 8.2148 118.9643 56.1581 33.2489 172.9758 125 K 4.5212 8.0576 118.9504 55.7171 35.2350 174.4464 126 E 4.5831 8.1923 120.6183 54.0470 33.1588 173.9965 127 P 4.3988 0.0000 0.0000 62.6970 32.2540 175.7533 128 A 4.5332 7.6824 119.0089 51.6352 20.3148 176.5330 129 F 4.1085 8.1084 121.4828 59.4031 37.3072 175.8345 130 R 4.0211 7.9575 119.1528 55.8401 30.3390 176.1226 131 E 4.0258 8.7031 123.2358 56.4634 30.0704 176.3090 132 E 4.4032 8.2941 120.2181 54.6154 31.1724 174.9702 133 N 4.2408 8.8541 124.5827 56.0025 39.3733 175.7737 134 A 4.2127 7.7157 125.8346 50.8687 17.6251 175.8261 135 N 4.6434 7.2590 118.1241 51.1903 37.3432 173.1798 136 F 4.7337 8.0035 123.5605 56.2760 39.3407 174.3744 137 N 4.8731 8.0919 119.8208 51.7317 39.7628 175.0303 138 K 4.5704 8.3724 120.4929 56.3881 32.4564 175.5370 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 101 M 8.30 4.44 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.58 0.00 102 E 8.01 4.04 0.00 2.05 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 2.30 2.37 0.00 103 G 8.74 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 0.00 0.00 0.00 0.00 104 I 8.39 3.81 1.86 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 1.29 0.57 0.91 0.00 0.00 105 S 7.36 4.54 0.00 3.77 3.67 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 0.00 0.00 0.00 106 I 7.90 3.98 1.60 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.70 0.79 0.00 0.00 107 Y 7.79 4.26 0.00 3.00 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 0.00 108 T 8.44 4.06 4.28 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 1.23 0.00 0.00 109 S 8.31 3.69 0.00 4.03 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 0.00 110 D 8.45 4.34 0.00 2.80 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 0.00 111 N 8.04 4.50 0.00 2.92 2.85 0.00 0.00 6.93 7.55 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 0.00 112 Y 7.86 4.93 0.00 2.99 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 0.00 113 T 7.77 3.92 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 1.07 0.00 0.00 114 E 8.53 3.78 0.00 2.07 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 2.23 2.27 0.00 115 E 8.29 4.26 0.00 1.81 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 2.17 2.26 0.00 116 M 8.50 3.23 0.00 2.33 2.18 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 2.57 2.53 0.00 117 G 8.69 3.63 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 0.00 0.00 0.00 118 S 8.24 3.99 0.00 4.05 4.03 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 0.00 119 G 8.54 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 0.00 120 D 8.31 4.73 0.00 2.86 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 0.00 121 Y 7.86 4.27 0.00 2.90 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 0.00 122 D 8.16 4.41 0.00 2.69 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 0.00 123 S 8.61 3.62 0.00 4.10 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 M 8.21 4.73 0.00 2.07 1.99 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 2.42 2.48 0.00 125 K 8.06 4.52 0.00 1.65 1.63 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.72 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.41 7.81 126 E 8.19 4.58 0.00 1.90 1.73 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 2.17 2.26 0.00 127 P 0.00 4.40 0.00 1.81 1.86 0.00 3.60 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 128 A 7.68 4.53 1.24 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 0.00 129 F 8.11 4.11 0.00 3.23 3.19 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 0.00 130 R 7.96 4.02 0.00 1.82 1.89 0.00 3.27 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 131 E 8.70 4.03 0.00 2.08 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 2.28 2.37 0.00 132 E 8.29 4.40 0.00 1.85 1.81 0.00 0.00 0.00 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 2.21 0.00 133 N 8.85 4.24 0.00 2.82 2.81 0.00 0.00 7.22 8.03 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 0.00 134 A 7.72 4.21 1.44 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 0.00 135 N 7.26 4.64 0.00 2.62 2.79 0.00 0.00 6.14 7.27 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 0.00 136 F 8.00 4.73 0.00 3.06 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 0.00 137 N 8.09 4.87 0.00 2.78 2.77 0.00 0.00 5.98 7.10 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 0.00 138 K 8.37 4.57 0.00 1.72 1.67 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.49 7.81