#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gu2 n GLY 93 N 0.00 0.77 3.16 5.00 0.00 -1.26 -4.65 105.19 108.21 3gu2 n GLY 93 Ca 0.00 -1.15 -0.39 0.00 0.00 0.00 0.00 46.02 44.47 3gu2 n GLY 93 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gu2 s LEU 94 N 0.00 5.71 0.48 0.99 2.96 -1.26 -5.07 118.68 122.49 3gu2 s LEU 94 Ca 0.00 -3.00 -0.08 0.00 -0.22 0.00 0.00 54.13 50.83 3gu2 s LEU 94 Cb 0.00 -1.96 -0.05 0.00 0.50 0.00 0.00 46.19 44.68 3gu2 s LEU 94 CO 0.00 -0.38 0.83 0.68 -1.32 0.00 0.00 176.35 176.16 3gu2 s VAL 95 N -0.29 4.82 0.40 1.68 -7.23 -1.26 -4.84 120.40 113.68 3gu2 s VAL 95 Ca 0.20 0.49 -0.27 0.00 -1.81 0.00 0.00 61.98 60.59 3gu2 s VAL 95 Cb -0.15 -3.82 -0.10 0.00 0.56 0.00 0.00 36.38 32.87 3gu2 s VAL 95 CO -0.06 -0.79 1.40 -2.65 -0.31 0.00 0.00 175.10 172.70 3gu2 n PRO 96 N -2.00 2.34 0.00 4.82 -0.02 -1.26 -4.89 135.00 133.99 3gu2 n PRO 96 Ca 0.02 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 3gu2 n PRO 96 Cb 0.54 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 3gu2 n PRO 96 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3gu2 n ARG 97 N 0.19 2.21 -2.90 -0.52 1.85 -1.26 -5.03 116.66 111.20 3gu2 n ARG 97 Ca 0.04 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.56 3gu2 n ARG 97 Cb 0.39 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.74 3gu2 n ARG 97 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 3gu2 s GLY 98 N -0.19 2.30 0.00 2.89 0.00 -1.26 -4.76 107.32 106.30 3gu2 s GLY 98 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.92 3gu2 s GLY 98 CO 0.00 0.44 0.00 1.44 0.00 0.00 0.00 173.10 174.98 3gu2 n SER 99 N -0.69 -1.98 -4.09 1.64 7.64 -1.26 -4.75 113.62 110.14 3gu2 n SER 99 Ca 0.05 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.86 3gu2 n SER 99 Cb 0.54 -0.99 -0.10 0.00 -1.01 0.00 0.00 64.21 62.65 3gu2 n SER 99 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3gu2 s HIS 100 N 0.00 0.54 -0.09 1.43 2.46 -1.25 -3.20 115.29 115.17 3gu2 s HIS 100 Ca 0.00 -1.00 -0.04 0.00 0.47 0.00 0.00 55.06 54.48 3gu2 s HIS 100 Cb 0.00 -0.39 0.04 0.00 -0.13 0.00 0.00 32.58 32.11 3gu2 s HIS 100 CO 0.00 -0.34 0.21 1.41 -2.47 0.00 0.00 174.74 173.56 3gu2 s MET 101 N -3.68 0.17 0.13 2.88 0.00 -1.23 -4.90 119.30 112.67 3gu2 s MET 101 Ca 0.05 0.48 -0.35 0.00 0.00 0.00 0.00 55.69 55.88 3gu2 s MET 101 Cb 0.06 -0.14 -0.15 0.00 0.00 0.00 0.00 34.83 34.61 3gu2 s MET 101 CO -0.09 -0.16 1.53 -2.37 0.00 0.00 0.00 175.02 173.93 3gu2 n THR 102 N 4.21 0.03 -1.62 10.11 5.66 -1.26 -4.80 114.28 126.62 3gu2 n THR 102 Ca -0.26 -0.00 -0.61 0.00 -3.05 0.00 0.00 64.05 60.13 3gu2 n THR 102 Cb 0.53 -1.35 -0.08 0.00 -1.55 0.00 0.00 70.33 67.87 3gu2 n THR 102 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3gu2 n ALA 103 N 3.33 -2.24 -2.88 1.79 0.00 -1.24 -4.73 120.51 114.54 3gu2 n ALA 103 Ca 0.18 0.54 -0.34 0.00 0.00 0.00 0.00 53.44 53.81 3gu2 n ALA 103 Cb 0.26 -1.90 -0.11 0.00 0.00 0.00 0.00 19.45 17.71 3gu2 n ALA 103 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3gu2 s GLN 104 N 1.41 3.86 0.44 0.00 2.00 -1.26 -0.20 119.66 125.91 3gu2 s GLN 104 Ca 0.96 -0.41 0.06 0.00 -2.00 0.00 0.00 55.36 53.97 3gu2 s GLN 104 Cb -1.29 -3.13 -0.04 0.00 0.80 0.00 0.00 33.01 29.35 3gu2 s GLN 104 CO 0.65 0.23 0.16 0.95 -0.50 0.00 0.00 175.29 176.78 3gu2 s THR 105 N 0.45 2.04 -0.45 -0.34 -4.23 0.30 -3.95 115.64 109.47 3gu2 s THR 105 Ca 0.01 -1.75 0.19 0.00 -1.18 0.00 0.00 61.69 58.96 3gu2 s THR 105 Cb -0.13 -2.80 0.19 0.00 1.34 0.00 0.00 72.50 71.10 3gu2 s THR 105 CO 0.01 0.00 1.58 1.33 -0.54 0.00 0.00 174.62 177.00 3gu2 n VAL 106 N -1.26 1.10 -0.29 2.29 0.24 0.75 -1.24 118.33 119.92 3gu2 n VAL 106 Ca -0.04 0.51 0.05 0.00 -2.04 0.00 0.00 64.34 62.83 3gu2 n VAL 106 Cb 0.65 -1.48 0.14 0.00 -1.47 0.00 0.00 33.84 31.69 3gu2 n VAL 106 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3gu2 n THR 107 N -2.10 1.21 0.00 3.34 -2.24 -1.26 -4.80 114.28 108.42 3gu2 n THR 107 Ca 0.00 -1.16 0.00 0.00 -2.27 0.00 0.00 64.05 60.62 3gu2 n THR 107 Cb 0.10 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 3gu2 n THR 107 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gu2 n GLY 108 N 0.14 1.25 3.77 3.38 0.00 -0.37 -5.06 105.19 108.30 3gu2 n GLY 108 Ca 0.11 -2.24 -0.40 0.00 0.00 0.00 0.00 46.02 43.49 3gu2 n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gu2 s ALA 109 N -1.20 3.34 0.02 4.61 0.00 -1.26 -0.54 121.76 126.73 3gu2 s ALA 109 Ca 0.00 1.20 0.02 0.00 0.00 0.00 0.00 51.96 53.18 3gu2 s ALA 109 Cb 0.00 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.64 3gu2 s ALA 109 CO 0.00 -0.69 -0.06 0.08 0.00 0.00 0.00 175.76 175.08 3gu2 s VAL 110 N -1.23 0.47 0.37 0.00 1.01 0.72 -4.90 120.40 116.84 3gu2 s VAL 110 Ca 0.53 -0.63 -0.25 0.00 0.00 0.00 0.00 61.98 61.64 3gu2 s VAL 110 Cb -0.37 -0.47 -0.10 0.00 0.00 0.00 0.00 36.38 35.44 3gu2 s VAL 110 CO 0.49 -0.12 0.99 0.00 0.00 0.00 0.00 175.10 176.46 3gu2 s ALA 111 N -0.72 3.14 0.32 5.51 0.00 -1.26 -3.68 121.76 125.08 3gu2 s ALA 111 Ca -0.04 0.59 0.09 0.00 0.00 0.00 0.00 51.96 52.61 3gu2 s ALA 111 Cb -0.06 -3.22 0.95 0.00 0.00 0.00 0.00 23.12 20.80 3gu2 s ALA 111 CO 0.00 0.00 1.62 0.00 0.00 0.00 0.00 175.76 177.38 3gu2 h ALA 112 N 2.75 1.62 0.00 0.00 0.00 -1.90 0.33 119.26 122.06 3gu2 h ALA 112 Ca -0.48 0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3gu2 h ALA 112 Cb 1.20 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3gu2 h ALA 112 CO 0.63 -0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.26 3gu2 h ALA 113 N 1.89 1.00 -0.00 0.00 0.00 -1.92 -2.94 119.26 117.29 3gu2 h ALA 113 Ca 0.67 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.58 3gu2 h ALA 113 Cb 1.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3gu2 h ALA 113 CO -0.72 0.00 -0.28 1.04 0.00 0.00 0.00 179.25 179.29 3gu2 n GLN 114 N -2.59 0.28 -0.24 0.00 1.13 0.12 -4.19 117.38 111.89 3gu2 n GLN 114 Ca 0.02 -0.13 -0.08 0.00 -1.94 0.00 0.00 57.00 54.87 3gu2 n GLN 114 Cb 0.27 -1.50 0.04 0.00 0.11 0.00 0.00 30.24 29.16 3gu2 n GLN 114 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3gu2 h LEU 115 N 0.31 1.07 0.00 1.08 3.38 -1.52 -3.48 115.31 116.14 3gu2 h LEU 115 Ca 0.00 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3gu2 h LEU 115 Cb 0.47 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3gu2 h LEU 115 CO 0.00 1.06 0.00 0.61 0.09 0.00 0.00 178.44 180.20 3gu2 n GLY 116 N -0.57 0.77 3.76 0.83 0.00 -1.26 -3.87 105.19 104.86 3gu2 n GLY 116 Ca 0.04 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 3gu2 n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gu2 s ALA 117 N -1.93 3.57 0.04 4.61 0.00 -1.26 -4.61 121.76 122.18 3gu2 s ALA 117 Ca 0.00 1.37 0.02 0.00 0.00 0.00 0.00 51.96 53.35 3gu2 s ALA 117 Cb 0.00 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 3gu2 s ALA 117 CO 0.00 -0.79 -0.08 0.99 0.00 0.00 0.00 175.76 175.88 3gu2 s THR 118 N -0.74 0.58 -0.33 0.00 2.01 -0.60 -1.53 115.64 115.03 3gu2 s THR 118 Ca 0.54 -1.00 -0.05 0.00 0.31 0.00 0.00 61.69 61.48 3gu2 s THR 118 Cb -0.42 -0.62 0.05 0.00 0.01 0.00 0.00 72.50 71.51 3gu2 s THR 118 CO 0.52 -0.31 0.09 -0.76 -0.69 0.00 0.00 174.62 173.47 3gu2 s LEU 119 N -1.43 4.28 0.00 4.42 1.43 -0.63 -4.87 118.68 121.88 3gu2 s LEU 119 Ca -0.08 -1.24 0.17 0.00 -1.03 0.00 0.00 54.13 51.95 3gu2 s LEU 119 Cb -0.09 -1.83 0.82 0.00 0.03 0.00 0.00 46.19 45.12 3gu2 s LEU 119 CO 0.00 -0.33 1.52 -0.81 0.23 0.00 0.00 176.35 176.97 3gu2 n PRO 120 N 4.75 0.15 -3.18 1.29 -0.04 -1.26 -0.39 135.00 136.32 3gu2 n PRO 120 Ca -0.12 0.16 0.02 0.00 -0.04 0.00 0.00 63.50 63.51 3gu2 n PRO 120 Cb 0.44 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.39 3gu2 n PRO 120 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3gu2 s HIS 121 N -2.73 -1.67 0.17 0.54 5.65 -1.23 -4.59 115.29 111.44 3gu2 s HIS 121 Ca 0.13 1.13 -0.11 0.00 0.25 0.00 0.00 55.06 56.46 3gu2 s HIS 121 Cb 0.11 0.31 0.00 0.00 -1.18 0.00 0.00 32.58 31.82 3gu2 s HIS 121 CO 0.28 -1.01 0.35 -1.21 -0.65 0.00 0.00 174.74 172.50 3gu2 s GLU 122 N 2.79 1.22 -0.14 2.88 0.41 -0.82 -1.77 118.70 123.28 3gu2 s GLU 122 Ca 0.13 -1.10 -0.01 0.00 -0.41 0.00 0.00 54.97 53.58 3gu2 s GLU 122 Cb -0.12 0.42 0.04 0.00 -1.78 0.00 0.00 34.13 32.69 3gu2 s GLU 122 CO -0.25 -0.47 -0.04 -1.01 -0.49 0.00 0.00 175.26 173.00 3gu2 s HIS 123 N -3.94 1.40 0.02 1.61 3.76 -0.04 -1.31 115.29 116.78 3gu2 s HIS 123 Ca 0.15 -0.84 -0.25 0.00 -0.15 0.00 0.00 55.06 53.97 3gu2 s HIS 123 Cb 0.02 -1.18 -0.18 0.00 1.11 0.00 0.00 32.58 32.35 3gu2 s HIS 123 CO -0.00 -0.55 1.41 0.28 -0.85 0.00 0.00 174.74 175.02 3gu2 h VAL 124 N 6.35 1.17 -3.95 -0.90 2.07 -1.93 -1.72 116.25 117.33 3gu2 h VAL 124 Ca -0.23 -0.72 -0.42 0.00 0.82 0.00 0.00 66.70 66.15 3gu2 h VAL 124 Cb 1.12 1.64 -0.22 0.00 -1.52 0.00 0.00 31.29 32.31 3gu2 h VAL 124 CO 0.37 0.18 -0.78 0.27 0.02 0.00 0.00 177.57 177.63 3gu2 s ILE 125 N -4.91 1.14 -0.15 4.57 -4.36 -1.26 -1.78 121.20 114.46 3gu2 s ILE 125 Ca -0.15 -1.30 -0.23 0.00 -0.26 0.00 0.00 60.65 58.72 3gu2 s ILE 125 Cb 0.03 -1.09 0.06 0.00 1.25 0.00 0.00 42.46 42.71 3gu2 s ILE 125 CO 0.65 -0.20 0.59 0.12 0.24 0.00 0.00 174.94 176.34 3gu2 s PHE 126 N -1.24 -0.60 -0.06 1.37 2.19 -1.00 -4.82 117.98 113.82 3gu2 s PHE 126 Ca -0.01 1.33 -0.03 0.00 0.33 0.00 0.00 56.93 58.54 3gu2 s PHE 126 Cb -0.10 0.26 0.03 0.00 -1.31 0.00 0.00 43.02 41.90 3gu2 s PHE 126 CO 0.02 -0.40 0.14 0.20 1.83 0.00 0.00 175.22 177.01 3gu2 s GLY 127 N -0.27 -0.05 0.36 13.12 0.00 -0.53 -0.03 107.32 119.93 3gu2 s GLY 127 Ca -0.04 0.58 -0.27 0.00 0.00 0.00 0.00 44.72 44.98 3gu2 s GLY 127 CO 0.04 0.77 1.25 -0.19 0.00 0.00 0.00 173.10 174.97 3gu2 s TYR 128 N 0.82 3.05 0.07 1.90 2.02 -1.26 -4.19 117.35 119.75 3gu2 s TYR 128 Ca -0.06 1.48 -0.37 0.00 -0.37 0.00 0.00 57.07 57.75 3gu2 s TYR 128 Cb -0.08 -3.56 -0.17 0.00 -0.40 0.00 0.00 41.96 37.76 3gu2 s TYR 128 CO -0.04 -1.63 1.35 -2.30 -1.57 0.00 0.00 175.55 171.36 3gu2 n PRO 129 N 0.46 1.12 0.00 -1.71 -0.02 -1.26 -1.06 135.00 132.54 3gu2 n PRO 129 Ca 0.02 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3gu2 n PRO 129 Cb 0.44 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 3gu2 n PRO 129 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gu2 n GLY 130 N 2.55 2.65 0.37 -1.23 0.00 -1.26 -4.96 105.19 103.30 3gu2 n GLY 130 Ca 0.19 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.41 3gu2 n GLY 130 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3gu2 h TYR 131 N 0.00 0.87 -0.30 1.61 -0.00 -1.43 0.64 116.97 118.36 3gu2 h TYR 131 Ca 0.00 0.03 0.03 0.00 0.00 0.00 0.00 58.73 58.79 3gu2 h TYR 131 Cb 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 36.73 36.47 3gu2 h TYR 131 CO 0.00 0.03 0.20 0.00 -0.00 0.00 0.00 178.16 178.39 3gu2 h ALA 132 N 1.70 1.92 0.00 0.10 0.00 -1.93 0.16 119.26 121.22 3gu2 h ALA 132 Ca 0.65 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.54 3gu2 h ALA 132 Cb 1.43 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3gu2 h ALA 132 CO -0.43 0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.27 3gu2 n GLY 133 N -1.52 -0.74 1.57 0.00 0.00 0.22 -2.00 105.19 102.73 3gu2 n GLY 133 Ca 0.02 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 3gu2 n GLY 133 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3gu2 n ASP 134 N -1.39 3.77 0.21 1.61 2.03 0.05 -4.71 116.55 118.12 3gu2 n ASP 134 Ca 0.04 -3.78 0.05 0.00 0.52 0.00 0.00 54.79 51.62 3gu2 n ASP 134 Cb 0.10 -0.63 0.46 0.00 -0.72 0.00 0.00 41.12 40.33 3gu2 n ASP 134 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 3gu2 h VAL 135 N 1.25 1.07 -0.08 5.18 3.04 -1.52 0.29 116.25 125.49 3gu2 h VAL 135 Ca 0.33 -1.01 -0.00 0.00 -1.01 0.00 0.00 66.70 65.01 3gu2 h VAL 135 Cb 1.57 1.56 -0.00 0.00 -2.01 0.00 0.00 31.29 32.41 3gu2 h VAL 135 CO 0.67 0.28 0.03 0.74 -1.01 0.00 0.00 177.57 178.28 3gu2 h THR 136 N 0.00 1.14 0.00 3.17 2.02 -1.87 -2.79 112.91 114.58 3gu2 h THR 136 Ca -0.00 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.75 3gu2 h THR 136 Cb 0.54 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 3gu2 h THR 136 CO 0.04 0.12 -1.10 0.18 0.37 0.00 0.00 175.52 175.13 3gu2 n LEU 137 N -4.94 0.86 -2.66 2.58 4.77 -1.21 -4.55 117.00 111.85 3gu2 n LEU 137 Ca -0.06 -0.44 -0.23 0.00 -0.03 0.00 0.00 56.01 55.25 3gu2 n LEU 137 Cb 0.11 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 3gu2 n LEU 137 CO 0.34 0.21 0.10 0.61 -1.33 0.00 0.00 177.39 177.32 3gu2 n GLY 138 N 1.46 4.99 3.75 -0.72 0.00 0.10 -4.77 105.19 109.99 3gu2 n GLY 138 Ca 0.03 -2.45 -0.30 0.00 0.00 0.00 0.00 46.02 43.30 3gu2 n GLY 138 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gu2 s PRO 139 N -3.38 1.80 -0.24 1.61 0.04 -1.05 -3.65 135.00 130.13 3gu2 s PRO 139 Ca 0.44 0.99 -0.22 0.00 0.04 0.00 0.00 61.00 62.26 3gu2 s PRO 139 Cb 0.38 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 33.05 3gu2 s PRO 139 CO -0.13 -1.91 0.68 0.12 0.04 0.00 0.00 177.00 175.80 3gu2 s PHE 140 N -2.92 3.31 -0.82 0.56 5.36 -1.26 -4.77 117.98 117.43 3gu2 s PHE 140 Ca 0.62 0.92 -0.18 0.00 -0.96 0.00 0.00 56.93 57.34 3gu2 s PHE 140 Cb -0.17 -2.89 0.15 0.00 -0.34 0.00 0.00 43.02 39.76 3gu2 s PHE 140 CO 0.56 -0.32 0.94 0.34 -1.46 0.00 0.00 175.22 175.28 3gu2 s ASP 141 N 1.39 6.55 0.17 6.13 -1.08 -1.26 -4.90 116.67 123.67 3gu2 s ASP 141 Ca 0.29 -2.04 -0.15 0.00 -0.52 0.00 0.00 52.55 50.13 3gu2 s ASP 141 Cb -0.16 -2.33 0.13 0.00 -1.46 0.00 0.00 42.92 39.10 3gu2 s ASP 141 CO 0.09 -0.96 1.72 -0.74 0.52 0.00 0.00 175.17 175.79 3gu2 h HIS 142 N 8.66 0.10 -0.58 -5.34 -0.00 -1.98 0.11 115.15 116.12 3gu2 h HIS 142 Ca 0.03 0.03 0.05 0.00 -0.00 0.00 0.00 60.37 60.47 3gu2 h HIS 142 Cb 1.04 0.02 -0.05 0.00 -0.00 0.00 0.00 27.41 28.42 3gu2 h HIS 142 CO 1.05 -0.01 0.32 0.00 -0.00 0.00 0.00 177.93 179.30 3gu2 h ALA 143 N 1.33 0.76 0.00 5.26 0.00 -1.99 0.38 119.26 125.00 3gu2 h ALA 143 Ca 0.21 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 3gu2 h ALA 143 Cb 0.26 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3gu2 h ALA 143 CO -0.28 0.00 -0.65 0.00 0.00 0.00 0.00 179.25 178.32 3gu2 h ALA 144 N 1.30 0.72 -0.14 0.00 0.00 -1.85 -1.94 119.26 117.34 3gu2 h ALA 144 Ca 0.25 -0.59 -0.12 0.00 0.00 0.00 0.00 54.91 54.45 3gu2 h ALA 144 Cb 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3gu2 h ALA 144 CO -0.15 0.82 -0.39 0.00 0.00 0.00 0.00 179.25 179.52 3gu2 h ALA 145 N 1.35 0.24 -0.50 0.00 0.00 -0.39 -1.35 119.26 118.60 3gu2 h ALA 145 Ca -0.01 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 3gu2 h ALA 145 Cb 1.32 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 3gu2 h ALA 145 CO 0.08 0.33 0.30 1.25 0.00 0.00 0.00 179.25 181.22 3gu2 h LEU 146 N 0.13 0.61 -0.58 0.00 5.85 -0.93 0.28 115.31 120.66 3gu2 h LEU 146 Ca -0.01 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 3gu2 h LEU 146 Cb 1.00 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 3gu2 h LEU 146 CO 0.08 0.49 0.20 0.00 -0.34 0.00 0.00 178.44 178.87 3gu2 h ALA 147 N 1.15 0.76 -0.31 1.25 0.00 -1.35 -1.97 119.26 118.78 3gu2 h ALA 147 Ca 0.18 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 3gu2 h ALA 147 Cb -0.01 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 3gu2 h ALA 147 CO -0.03 0.40 -0.40 1.03 0.00 0.00 0.00 179.25 180.25 3gu2 h SER 148 N 0.81 0.89 -0.19 0.00 0.87 -0.75 -2.92 113.55 112.25 3gu2 h SER 148 Ca 0.19 -0.49 -0.18 0.00 -1.23 0.00 0.00 61.79 60.07 3gu2 h SER 148 Cb 0.25 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3gu2 h SER 148 CO -0.01 1.21 -0.55 0.00 -0.53 0.00 0.00 176.83 176.94 3gu2 h THR 150 N 0.60 1.24 0.11 0.00 1.35 -1.43 0.11 112.91 114.90 3gu2 h THR 150 Ca 0.01 -1.10 -0.01 0.00 -0.55 0.00 0.00 66.41 64.76 3gu2 h THR 150 Cb 1.15 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 3gu2 h THR 150 CO 0.12 0.35 -0.05 -0.08 -0.25 0.00 0.00 175.52 175.60 3gu2 h GLU 151 N 0.36 -0.15 -0.80 4.72 4.81 -1.37 0.53 114.58 122.67 3gu2 h GLU 151 Ca 0.06 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.34 3gu2 h GLU 151 Cb 0.56 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.92 3gu2 h GLU 151 CO 0.04 -0.01 0.50 1.15 -0.73 0.00 0.00 179.01 179.97 3gu2 h THR 152 N -0.26 1.10 -0.46 0.32 2.02 -1.12 -0.17 112.91 114.35 3gu2 h THR 152 Ca -0.02 -0.33 0.05 0.00 0.77 0.00 0.00 66.41 66.89 3gu2 h THR 152 Cb 0.21 0.05 -0.05 0.00 -1.74 0.00 0.00 68.15 66.62 3gu2 h THR 152 CO 0.03 0.18 0.18 0.00 0.37 0.00 0.00 175.52 176.27 3gu2 h ALA 153 N 1.34 0.56 -0.67 6.16 0.00 -0.09 -1.02 119.26 125.54 3gu2 h ALA 153 Ca 0.32 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 3gu2 h ALA 153 Cb 0.04 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3gu2 h ALA 153 CO -0.12 -0.20 0.28 0.00 0.00 0.00 0.00 179.25 179.21 3gu2 h ARG 154 N 0.37 0.99 -0.70 0.00 3.08 0.11 -1.08 114.38 117.14 3gu2 h ARG 154 Ca 0.21 -0.17 0.02 0.00 0.07 0.00 0.00 59.98 60.11 3gu2 h ARG 154 Cb 0.19 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.04 3gu2 h ARG 154 CO -0.20 0.82 0.47 0.00 -1.07 0.00 0.00 179.97 179.98 3gu2 h ALA 155 N 1.13 1.55 -0.25 0.04 0.00 -0.35 -1.40 119.26 119.97 3gu2 h ALA 155 Ca 0.23 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3gu2 h ALA 155 Cb 0.18 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3gu2 h ALA 155 CO -0.02 0.40 -0.06 -0.07 0.00 0.00 0.00 179.25 179.50 3gu2 h LEU 156 N 0.90 0.48 -1.07 0.00 3.38 -0.47 -2.50 115.31 116.03 3gu2 h LEU 156 Ca 0.27 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.88 3gu2 h LEU 156 Cb -0.03 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 3gu2 h LEU 156 CO -0.07 0.74 0.63 -0.07 0.09 0.00 0.00 178.44 179.76 3gu2 h LEU 157 N 0.22 1.09 -1.69 1.67 3.38 -0.88 -0.10 115.31 119.00 3gu2 h LEU 157 Ca 0.06 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3gu2 h LEU 157 Cb 0.53 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3gu2 h LEU 157 CO 0.02 0.79 -0.08 0.00 0.09 0.00 0.00 178.44 179.26 3gu2 h ALA 158 N 1.41 1.75 0.00 1.53 0.00 -1.09 0.15 119.26 123.00 3gu2 h ALA 158 Ca 0.35 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3gu2 h ALA 158 Cb -0.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3gu2 h ALA 158 CO -0.08 0.19 0.00 0.54 0.00 0.00 0.00 179.25 179.91 3gu2 n ARG 159 N -4.39 0.50 -0.39 0.00 5.12 -0.17 -4.88 116.66 112.45 3gu2 n ARG 159 Ca -0.02 0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 3gu2 n ARG 159 Cb 0.19 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.99 3gu2 n ARG 159 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3gu2 n GLY 160 N 1.17 0.77 3.66 -0.13 0.00 0.53 -5.04 105.19 106.15 3gu2 n GLY 160 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3gu2 n GLY 160 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gu2 s ILE 161 N -2.25 4.81 -0.98 -0.61 -1.09 -0.47 -4.17 121.20 116.42 3gu2 s ILE 161 Ca 0.00 1.75 0.15 0.00 -2.23 0.00 0.00 60.65 60.32 3gu2 s ILE 161 Cb 0.00 -4.19 -0.10 0.00 -1.58 0.00 0.00 42.46 36.59 3gu2 s ILE 161 CO 0.00 -0.05 0.71 0.00 -1.23 0.00 0.00 174.94 174.37 3gu2 n GLN 162 N 5.65 1.99 -3.72 2.79 6.02 -0.58 -3.49 117.38 126.04 3gu2 n GLN 162 Ca 0.07 -0.32 -0.13 0.00 -0.01 0.00 0.00 57.00 56.61 3gu2 n GLN 162 Cb 0.48 -1.22 -0.09 0.00 1.02 0.00 0.00 30.24 30.43 3gu2 n GLN 162 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3gu2 s THR 163 N -2.16 0.01 -0.05 5.09 2.01 -1.08 -1.33 115.64 118.12 3gu2 s THR 163 Ca 0.08 -0.06 0.04 0.00 0.31 0.00 0.00 61.69 62.07 3gu2 s THR 163 Cb 0.12 -0.62 -0.00 0.00 0.01 0.00 0.00 72.50 72.00 3gu2 s THR 163 CO 0.52 -0.03 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.55 3gu2 s VAL 164 N -0.01 1.48 -0.44 3.82 1.01 0.01 -1.61 120.40 124.66 3gu2 s VAL 164 Ca -0.02 -0.73 -0.15 0.00 0.00 0.00 0.00 61.98 61.07 3gu2 s VAL 164 Cb -0.03 -1.27 0.04 0.00 0.00 0.00 0.00 36.38 35.12 3gu2 s VAL 164 CO 0.01 0.42 0.36 -0.69 0.00 0.00 0.00 175.10 175.21 3gu2 s VAL 165 N 0.08 5.22 -0.47 2.92 1.01 0.47 -1.97 120.40 127.68 3gu2 s VAL 165 Ca -0.05 -0.79 -0.29 0.00 0.00 0.00 0.00 61.98 60.85 3gu2 s VAL 165 Cb -0.12 -4.03 0.03 0.00 0.00 0.00 0.00 36.38 32.26 3gu2 s VAL 165 CO 0.03 -0.44 1.11 -0.62 0.00 0.00 0.00 175.10 175.18 3gu2 s ASP 166 N 2.09 6.64 -0.06 3.32 -1.08 0.95 -1.94 116.67 126.59 3gu2 s ASP 166 Ca 0.05 0.48 0.07 0.00 -0.52 0.00 0.00 52.55 52.63 3gu2 s ASP 166 Cb -0.21 -2.54 0.32 0.00 -1.46 0.00 0.00 42.92 39.03 3gu2 s ASP 166 CO 0.09 -1.21 1.10 0.00 0.52 0.00 0.00 175.17 175.67 3gu2 n ALA 167 N 7.72 2.85 -1.90 3.66 0.00 -0.43 -2.85 120.51 129.56 3gu2 n ALA 167 Ca 0.11 -0.70 -0.42 0.00 0.00 0.00 0.00 53.44 52.43 3gu2 n ALA 167 Cb 0.49 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.89 3gu2 n ALA 167 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3gu2 s THR 168 N -1.68 3.39 0.69 0.00 2.01 -1.26 -4.91 115.64 113.89 3gu2 s THR 168 Ca 0.22 0.45 -0.16 0.00 0.31 0.00 0.00 61.69 62.51 3gu2 s THR 168 Cb 0.15 -3.36 0.02 0.00 0.01 0.00 0.00 72.50 69.32 3gu2 s THR 168 CO 0.09 -0.11 1.18 -2.84 -0.69 0.00 0.00 174.62 172.25 3gu2 s PRO 169 N 4.72 2.41 0.57 4.92 0.02 -1.26 -4.54 135.00 141.84 3gu2 s PRO 169 Ca 0.81 1.68 0.28 0.00 0.02 0.00 0.00 61.00 63.80 3gu2 s PRO 169 Cb -0.33 -1.87 1.48 0.00 0.02 0.00 0.00 34.50 33.80 3gu2 s PRO 169 CO 0.33 -1.61 1.94 -0.91 -0.33 0.00 0.00 177.00 176.42 3gu2 h ASN 170 N -0.05 0.00 -0.30 2.53 4.21 -0.49 0.44 115.58 121.92 3gu2 h ASN 170 Ca -0.48 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.03 3gu2 h ASN 170 Cb 1.28 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.48 3gu2 h ASN 170 CO 0.51 0.00 0.00 -0.90 -1.29 0.00 0.00 177.43 175.75 3gu2 n ASP 171 N -3.93 2.88 -1.18 5.81 5.75 -1.26 -4.37 116.55 120.25 3gu2 n ASP 171 Ca 0.09 -1.91 -0.06 0.00 -0.01 0.00 0.00 54.79 52.91 3gu2 n ASP 171 Cb 0.66 -0.19 0.17 0.00 -1.03 0.00 0.00 41.12 40.73 3gu2 n ASP 171 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3gu2 n GLY 173 N -1.05 0.73 3.45 0.00 0.00 -1.26 -1.45 105.19 105.61 3gu2 n GLY 173 Ca 0.32 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.78 3gu2 n GLY 173 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3gu2 n ARG 174 N -2.06 0.00 -3.25 1.61 0.63 -1.23 -4.90 116.66 107.45 3gu2 n ARG 174 Ca 0.00 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.77 3gu2 n ARG 174 Cb 0.00 -1.37 -0.06 0.00 0.45 0.00 0.00 32.46 31.48 3gu2 n ARG 174 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 3gu2 s ASN 175 N -0.24 0.59 0.36 6.15 3.84 -1.26 -5.00 114.94 119.38 3gu2 s ASN 175 Ca 0.84 -1.88 0.05 0.00 0.21 0.00 0.00 52.86 52.07 3gu2 s ASN 175 Cb -1.18 0.67 0.71 0.00 -0.55 0.00 0.00 41.25 40.91 3gu2 s ASN 175 CO 0.56 -0.20 1.98 -0.65 -2.79 0.00 0.00 177.10 176.01 3gu2 h PRO 176 N 6.39 0.76 -0.76 0.43 0.11 -1.98 -2.19 132.00 134.76 3gu2 h PRO 176 Ca 0.10 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.14 3gu2 h PRO 176 Cb 1.04 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.95 3gu2 h PRO 176 CO 0.19 0.50 0.36 0.00 -0.21 0.00 0.00 178.00 178.85 3gu2 h ALA 177 N 1.61 0.98 -0.20 -0.75 0.00 -1.97 0.11 119.26 119.05 3gu2 h ALA 177 Ca 0.27 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3gu2 h ALA 177 Cb 0.11 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3gu2 h ALA 177 CO -0.08 0.55 -0.00 0.35 0.00 0.00 0.00 179.25 180.06 3gu2 h PHE 178 N 1.07 0.38 -0.92 0.00 3.57 -1.89 -2.02 116.94 117.13 3gu2 h PHE 178 Ca 0.26 -0.07 0.10 0.00 3.53 0.00 0.00 57.97 61.79 3gu2 h PHE 178 Cb 0.12 -0.10 -0.07 0.00 2.79 0.00 0.00 35.95 38.70 3gu2 h PHE 178 CO 0.01 0.55 0.59 -0.07 -2.23 0.00 0.00 178.31 177.16 3gu2 h LEU 179 N 0.11 0.83 -1.13 0.59 4.07 -1.06 0.06 115.31 118.77 3gu2 h LEU 179 Ca 0.06 0.03 -0.07 0.00 0.08 0.00 0.00 57.88 57.97 3gu2 h LEU 179 Cb 0.40 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.98 3gu2 h LEU 179 CO 0.01 0.48 -0.14 -0.09 -1.08 0.00 0.00 178.44 177.62 3gu2 h ARG 180 N 0.91 0.44 -0.13 1.13 2.43 -0.36 -1.04 114.38 117.76 3gu2 h ARG 180 Ca 0.43 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.47 3gu2 h ARG 180 Cb 0.43 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 3gu2 h ARG 180 CO -0.19 0.58 0.05 0.93 -1.51 0.00 0.00 179.97 179.82 3gu2 h GLU 181 N 0.41 0.19 -0.54 0.20 5.08 -0.30 0.52 114.58 120.14 3gu2 h GLU 181 Ca 0.08 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.43 3gu2 h GLU 181 Cb 0.49 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 3gu2 h GLU 181 CO 0.03 0.31 0.30 0.28 -1.00 0.00 0.00 179.01 178.93 3gu2 h VAL 182 N 0.04 1.01 0.02 3.13 2.07 -0.98 -0.06 116.25 121.47 3gu2 h VAL 182 Ca 0.04 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 3gu2 h VAL 182 Cb 0.19 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 3gu2 h VAL 182 CO -0.00 0.11 -0.01 -1.28 0.02 0.00 0.00 177.57 176.41 3gu2 h SER 183 N 0.59 -0.02 0.28 0.57 0.87 -1.05 -2.20 113.55 112.59 3gu2 h SER 183 Ca 0.23 -0.32 -0.02 0.00 -1.23 0.00 0.00 61.79 60.45 3gu2 h SER 183 Cb 0.08 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.04 3gu2 h SER 183 CO -0.13 0.31 -0.11 -0.33 -0.53 0.00 0.00 176.83 176.04 3gu2 h GLU 184 N -0.35 0.00 0.00 2.24 5.08 -0.76 0.42 114.58 121.21 3gu2 h GLU 184 Ca -0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 3gu2 h GLU 184 Cb 0.34 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 3gu2 h GLU 184 CO 0.00 0.11 -0.61 0.00 -1.00 0.00 0.00 179.01 177.51 3gu2 h ALA 185 N 1.89 0.63 0.00 3.43 0.00 -0.79 -3.40 119.26 121.03 3gu2 h ALA 185 Ca -0.00 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 3gu2 h ALA 185 Cb 0.27 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3gu2 h ALA 185 CO 0.01 0.72 -1.17 0.25 0.00 0.00 0.00 179.25 179.07 3gu2 n THR 186 N -3.22 0.11 0.00 0.00 -2.24 -0.85 -5.01 114.28 103.07 3gu2 n THR 186 Ca 0.01 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 3gu2 n THR 186 Cb 0.77 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 3gu2 n THR 186 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gu2 n GLY 187 N 2.64 1.38 3.73 3.38 0.00 0.14 -5.02 105.19 111.44 3gu2 n GLY 187 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 3gu2 n GLY 187 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gu2 s LEU 188 N 0.00 4.37 0.01 0.99 2.96 -1.25 -4.96 118.68 120.80 3gu2 s LEU 188 Ca 0.00 2.60 -0.23 0.00 -0.22 0.00 0.00 54.13 56.28 3gu2 s LEU 188 Cb 0.00 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 43.04 3gu2 s LEU 188 CO 0.00 -0.77 0.69 -1.10 -1.32 0.00 0.00 176.35 173.85 3gu2 s GLN 189 N 0.72 4.42 -0.05 1.98 -0.21 -0.44 -4.42 119.66 121.65 3gu2 s GLN 189 Ca 0.67 0.91 0.02 0.00 0.02 0.00 0.00 55.36 56.98 3gu2 s GLN 189 Cb -0.43 -3.37 0.01 0.00 1.00 0.00 0.00 33.01 30.23 3gu2 s GLN 189 CO 0.34 0.29 -0.09 0.42 -2.12 0.00 0.00 175.29 174.13 3gu2 s ILE 190 N 0.00 0.87 -0.12 1.08 1.01 -1.26 -0.81 121.20 121.98 3gu2 s ILE 190 Ca 0.35 -0.34 -0.02 0.00 0.00 0.00 0.00 60.65 60.65 3gu2 s ILE 190 Cb -0.19 -0.82 -0.03 0.00 0.01 0.00 0.00 42.46 41.43 3gu2 s ILE 190 CO 0.20 0.29 -0.05 -0.76 0.00 0.00 0.00 174.94 174.62 3gu2 s LEU 191 N 0.65 3.21 0.34 2.97 1.02 -0.83 -0.18 118.68 125.87 3gu2 s LEU 191 Ca -0.12 -0.08 0.08 0.00 0.02 0.00 0.00 54.13 54.03 3gu2 s LEU 191 Cb -0.14 -1.74 -0.03 0.00 0.02 0.00 0.00 46.19 44.29 3gu2 s LEU 191 CO 0.02 0.25 0.23 0.00 0.02 0.00 0.00 176.35 176.87 3gu2 s ALA 193 N -2.37 4.39 -0.03 0.00 0.00 -1.13 -0.13 121.76 122.49 3gu2 s ALA 193 Ca 0.40 -1.59 0.01 0.00 0.00 0.00 0.00 51.96 50.77 3gu2 s ALA 193 Cb -0.04 -0.93 0.02 0.00 0.00 0.00 0.00 23.12 22.17 3gu2 s ALA 193 CO 0.25 -0.47 -0.01 -0.08 0.00 0.00 0.00 175.76 175.45 3gu2 s THR 194 N -2.68 0.20 0.00 0.00 -1.32 -0.62 -4.83 115.64 106.39 3gu2 s THR 194 Ca 0.43 0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.95 3gu2 s THR 194 Cb -0.03 -0.27 0.00 0.00 -1.51 0.00 0.00 72.50 70.69 3gu2 s THR 194 CO 0.26 0.13 0.00 0.61 -2.21 0.00 0.00 174.62 173.42 3gu2 n GLY 195 N 3.93 0.45 3.31 6.08 0.00 -1.26 -4.36 105.19 113.34 3gu2 n GLY 195 Ca -0.25 -1.69 -0.17 0.00 0.00 0.00 0.00 46.02 43.92 3gu2 n GLY 195 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gu2 s PHE 196 N -1.44 1.53 0.94 1.61 0.40 -1.26 0.29 117.98 120.05 3gu2 s PHE 196 Ca 0.00 -0.71 -0.15 0.00 -0.60 0.00 0.00 56.93 55.47 3gu2 s PHE 196 Cb 0.00 -0.78 0.17 0.00 0.51 0.00 0.00 43.02 42.92 3gu2 s PHE 196 CO 0.00 0.18 1.23 -1.17 0.70 0.00 0.00 175.22 176.16 3gu2 s LEU 197 N -3.27 2.28 1.04 -0.37 2.96 -1.26 -4.31 118.68 115.75 3gu2 s LEU 197 Ca 0.22 0.57 -0.12 0.00 -0.22 0.00 0.00 54.13 54.58 3gu2 s LEU 197 Cb 0.02 -2.74 0.21 0.00 0.50 0.00 0.00 46.19 44.18 3gu2 s LEU 197 CO 0.05 -2.66 1.07 -0.72 -1.32 0.00 0.00 176.35 172.77 3gu2 s TYR 198 N -3.59 1.83 0.19 5.38 1.13 -1.26 -4.84 117.35 116.19 3gu2 s TYR 198 Ca 0.69 1.15 0.02 0.00 -1.41 0.00 0.00 57.07 57.52 3gu2 s TYR 198 Cb -0.08 -3.19 0.49 0.00 -1.10 0.00 0.00 41.96 38.08 3gu2 s TYR 198 CO 0.52 -3.17 0.95 0.39 -2.51 0.00 0.00 175.55 171.73 3gu2 n GLU 199 N -4.41 -0.05 -0.01 -3.49 1.02 -1.26 -1.06 120.64 111.38 3gu2 n GLU 199 Ca 0.05 0.91 0.14 0.00 -0.02 0.00 0.00 57.16 58.24 3gu2 n GLU 199 Cb 0.55 -1.45 0.72 0.00 -0.02 0.00 0.00 31.44 31.25 3gu2 n GLU 199 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gu2 n GLY 202 N -1.30 -0.60 0.10 0.62 0.00 -1.26 -4.18 105.19 98.58 3gu2 n GLY 202 Ca 0.15 -0.28 -0.04 0.00 0.00 0.00 0.00 46.02 45.85 3gu2 n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gu2 h ALA 203 N 4.05 -0.55 -3.37 4.61 0.00 -1.42 -3.49 119.26 119.09 3gu2 h ALA 203 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3gu2 h ALA 203 Cb 0.19 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3gu2 h ALA 203 CO 0.00 -0.53 0.00 0.25 0.00 0.00 0.00 179.25 178.97 3gu2 n THR 204 N -3.16 0.00 -0.06 0.00 -2.24 -1.26 -4.83 114.28 102.73 3gu2 n THR 204 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 3gu2 n THR 204 Cb 0.09 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 3gu2 n THR 204 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 3gu2 n THR 205 N 0.00 0.00 -0.14 4.28 5.66 -1.26 -4.89 114.28 117.93 3gu2 n THR 205 Ca 0.00 -0.03 -0.09 0.00 -3.05 0.00 0.00 64.05 60.88 3gu2 n THR 205 Cb 0.00 1.06 -0.04 0.00 -1.55 0.00 0.00 70.33 69.80 3gu2 n THR 205 CO 0.00 0.00 0.00 0.22 -3.05 0.00 0.00 175.07 172.24 3gu2 h TYR 206 N 0.00 -1.19 0.00 1.09 3.20 -1.99 -1.80 116.97 116.29 3gu2 h TYR 206 Ca 0.00 0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 3gu2 h TYR 206 Cb 0.03 0.58 -0.00 0.00 1.54 0.00 0.00 36.73 38.88 3gu2 h TYR 206 CO 0.00 -0.43 -0.01 0.74 -1.64 0.00 0.00 178.16 176.83 3gu2 h PHE 207 N -0.30 0.00 -0.06 -3.82 0.04 -1.99 -1.61 116.94 109.20 3gu2 h PHE 207 Ca 0.15 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.83 3gu2 h PHE 207 Cb 0.57 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.71 3gu2 h PHE 207 CO -0.62 0.01 -0.36 0.87 -0.60 0.00 0.00 178.31 177.61 3gu2 h LYS 208 N 0.00 0.12 0.07 1.51 1.57 -1.70 -1.00 116.57 117.14 3gu2 h LYS 208 Ca -0.00 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.57 3gu2 h LYS 208 Cb 0.73 -0.01 0.02 0.00 0.08 0.00 0.00 32.23 33.05 3gu2 h LYS 208 CO 0.00 0.47 -0.69 0.35 -0.57 0.00 0.00 179.45 179.02 3gu2 h PHE 209 N 0.11 0.55 -0.37 -1.35 3.57 -0.87 -3.09 116.94 115.49 3gu2 h PHE 209 Ca 0.01 -0.35 0.01 0.00 3.53 0.00 0.00 57.97 61.17 3gu2 h PHE 209 Cb 0.69 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 3gu2 h PHE 209 CO 0.01 1.22 0.25 0.00 -2.23 0.00 0.00 178.31 177.55 3gu2 h ARG 210 N -0.27 0.48 0.00 1.11 2.47 -1.15 -2.02 114.38 115.00 3gu2 h ARG 210 Ca -0.11 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.54 3gu2 h ARG 210 Cb 1.46 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 29.67 3gu2 h ARG 210 CO 0.13 0.32 -0.21 0.00 0.56 0.00 0.00 179.97 180.77 3gu2 h ALA 211 N 1.77 1.16 0.00 0.04 0.00 -1.19 0.15 119.26 121.19 3gu2 h ALA 211 Ca 0.14 -0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 3gu2 h ALA 211 Cb -0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3gu2 h ALA 211 CO -0.03 0.26 -1.02 0.66 0.00 0.00 0.00 179.25 179.12 3gu2 h SER 212 N 0.00 0.00 0.15 0.00 4.64 -1.29 -3.36 113.55 113.70 3gu2 h SER 212 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gu2 h SER 212 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3gu2 h SER 212 CO 0.03 0.80 -1.63 0.18 -0.87 0.00 0.00 176.83 175.33 3gu2 n LEU 213 N -3.20 0.31 0.00 5.97 4.77 -1.03 -5.07 117.00 118.75 3gu2 n LEU 213 Ca -0.03 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 3gu2 n LEU 213 Cb 0.88 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.96 3gu2 n LEU 213 CO 0.44 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 3gu2 n GLY 214 N 1.30 2.34 3.48 -0.72 0.00 0.50 -5.08 105.19 107.01 3gu2 n GLY 214 Ca -0.02 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 45.04 3gu2 n GLY 214 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gu2 s ASP 215 N 2.00 6.77 0.23 1.61 2.15 -1.26 -4.46 116.67 123.71 3gu2 s ASP 215 Ca 0.00 -2.29 0.00 0.00 0.43 0.00 0.00 52.55 50.69 3gu2 s ASP 215 Cb 0.00 -2.44 0.26 0.00 -0.30 0.00 0.00 42.92 40.43 3gu2 s ASP 215 CO 0.00 -1.04 1.61 0.00 -0.17 0.00 0.00 175.17 175.57 3gu2 h ALA 216 N 8.33 0.89 -0.26 3.66 0.00 -1.88 -2.89 119.26 127.10 3gu2 h ALA 216 Ca 0.24 -0.44 0.04 0.00 0.00 0.00 0.00 54.91 54.75 3gu2 h ALA 216 Cb 0.96 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 3gu2 h ALA 216 CO 1.23 0.64 0.01 1.49 0.00 0.00 0.00 179.25 182.62 3gu2 h GLU 217 N 0.40 0.09 0.00 0.00 4.81 -1.88 0.87 114.58 118.88 3gu2 h GLU 217 Ca 0.03 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 3gu2 h GLU 217 Cb 0.90 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 3gu2 h GLU 217 CO 0.08 0.06 -0.20 0.77 -0.73 0.00 0.00 179.01 178.99 3gu2 h SER 218 N 0.10 0.00 0.21 1.04 0.02 -1.92 0.16 113.55 113.15 3gu2 h SER 218 Ca 0.12 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.81 3gu2 h SER 218 Cb 0.15 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.71 3gu2 h SER 218 CO -0.20 0.20 -1.07 -0.33 -1.14 0.00 0.00 176.83 174.29 3gu2 h GLU 219 N 0.00 0.54 -0.31 3.45 5.08 -1.03 -0.32 114.58 121.99 3gu2 h GLU 219 Ca -0.00 -0.63 -0.14 0.00 -1.00 0.00 0.00 59.36 57.58 3gu2 h GLU 219 Cb 0.50 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 3gu2 h GLU 219 CO 0.03 1.25 -0.35 0.82 -1.00 0.00 0.00 179.01 179.75 3gu2 h ILE 220 N 0.28 1.29 -0.24 3.13 2.04 -0.49 -1.70 117.51 121.82 3gu2 h ILE 220 Ca -0.13 -1.53 0.02 0.00 1.00 0.00 0.00 64.86 64.22 3gu2 h ILE 220 Cb 1.73 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 39.35 3gu2 h ILE 220 CO 0.20 0.50 0.10 0.22 0.00 0.00 0.00 178.15 179.16 3gu2 h TYR 221 N 0.54 0.18 -0.42 1.37 3.20 -0.69 0.28 116.97 121.42 3gu2 h TYR 221 Ca 0.04 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.97 3gu2 h TYR 221 Cb 0.94 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 39.12 3gu2 h TYR 221 CO 0.07 0.09 0.17 0.93 -1.64 0.00 0.00 178.16 177.78 3gu2 h GLU 222 N 0.21 0.34 0.03 1.82 5.08 -0.88 0.05 114.58 121.24 3gu2 h GLU 222 Ca 0.10 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3gu2 h GLU 222 Cb 0.05 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3gu2 h GLU 222 CO -0.09 0.22 -0.01 1.98 -1.00 0.00 0.00 179.01 180.11 3gu2 h MET 223 N 0.35 -0.04 -0.12 2.33 4.05 -0.97 -0.82 114.93 119.71 3gu2 h MET 223 Ca 0.19 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.62 3gu2 h MET 223 Cb 0.15 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.95 3gu2 h MET 223 CO -0.18 0.06 0.04 0.52 0.23 0.00 0.00 176.91 177.58 3gu2 h MET 224 N -0.13 0.09 -0.54 0.39 2.86 -0.67 -0.58 114.93 116.35 3gu2 h MET 224 Ca -0.00 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 3gu2 h MET 224 Cb 0.12 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 3gu2 h MET 224 CO 0.01 0.06 0.25 -0.09 1.06 0.00 0.00 176.91 178.20 3gu2 h ARG 225 N 0.09 0.79 -0.48 1.72 2.43 -0.96 -0.13 114.38 117.84 3gu2 h ARG 225 Ca 0.05 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 3gu2 h ARG 225 Cb 0.03 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 3gu2 h ARG 225 CO -0.06 0.65 0.23 1.15 -1.51 0.00 0.00 179.97 180.44 3gu2 h THR 226 N 0.73 1.19 -0.07 0.20 2.02 -0.90 -0.35 112.91 115.73 3gu2 h THR 226 Ca 0.19 -0.52 -0.11 0.00 0.77 0.00 0.00 66.41 66.73 3gu2 h THR 226 Cb 0.13 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 3gu2 h THR 226 CO -0.02 0.20 -0.48 -0.33 0.37 0.00 0.00 175.52 175.27 3gu2 h GLU 227 N 0.63 0.16 0.00 6.66 5.08 -0.93 0.28 114.58 126.46 3gu2 h GLU 227 Ca 0.16 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 3gu2 h GLU 227 Cb 0.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3gu2 h GLU 227 CO -0.02 0.61 -0.44 0.28 -1.00 0.00 0.00 179.01 178.44 3gu2 h VAL 228 N 0.13 0.76 0.00 3.13 2.07 -0.69 -1.95 116.25 119.71 3gu2 h VAL 228 Ca 0.01 -2.04 -0.21 0.00 0.82 0.00 0.00 66.70 65.28 3gu2 h VAL 228 Cb 0.89 2.35 -0.04 0.00 -1.52 0.00 0.00 31.29 32.98 3gu2 h VAL 228 CO 0.07 0.43 -1.78 0.35 0.02 0.00 0.00 177.57 176.66 3gu2 n THR 229 N -3.22 0.78 -0.08 2.57 -2.24 -0.17 -4.65 114.28 107.27 3gu2 n THR 229 Ca 0.02 -0.43 -0.17 0.00 -2.27 0.00 0.00 64.05 61.20 3gu2 n THR 229 Cb 0.70 -0.79 -0.06 0.00 -2.10 0.00 0.00 70.33 68.08 3gu2 n THR 229 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3gu2 n GLU 230 N -2.56 0.35 0.00 -0.78 1.02 0.82 -5.05 120.64 114.44 3gu2 n GLU 230 Ca -0.20 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 3gu2 n GLU 230 Cb 0.84 -1.09 0.00 0.00 -0.02 0.00 0.00 31.44 31.16 3gu2 n GLU 230 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gu2 n GLY 231 N 2.02 1.42 3.60 0.62 0.00 -0.21 -4.48 105.19 108.17 3gu2 n GLY 231 Ca -0.32 -1.51 -0.34 0.00 0.00 0.00 0.00 46.02 43.85 3gu2 n GLY 231 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gu2 s ILE 232 N -1.78 4.43 -1.60 -0.61 1.01 0.62 -3.74 121.20 119.53 3gu2 s ILE 232 Ca 0.00 -0.17 -0.14 0.00 0.00 0.00 0.00 60.65 60.34 3gu2 s ILE 232 Cb 0.00 -2.96 0.11 0.00 0.01 0.00 0.00 42.46 39.63 3gu2 s ILE 232 CO 0.00 0.50 0.82 0.00 0.00 0.00 0.00 174.94 176.26 3gu2 n ALA 233 N 3.28 -1.37 -1.14 9.38 0.00 -1.26 -0.77 120.51 128.64 3gu2 n ALA 233 Ca -0.17 0.04 -0.05 0.00 0.00 0.00 0.00 53.44 53.26 3gu2 n ALA 233 Cb 0.53 -3.62 -0.02 0.00 0.00 0.00 0.00 19.45 16.34 3gu2 n ALA 233 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gu2 n GLY 234 N -1.57 0.47 0.00 0.00 0.00 -1.26 -4.83 105.19 98.00 3gu2 n GLY 234 Ca 0.01 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.15 3gu2 n GLY 234 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gu2 n THR 235 N -2.14 0.02 -0.21 2.61 -2.24 0.05 -4.90 114.28 107.47 3gu2 n THR 235 Ca -0.05 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 3gu2 n THR 235 Cb 0.52 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 3gu2 n THR 235 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gu2 n GLY 236 N 1.49 2.32 3.67 3.38 0.00 -1.26 -4.95 105.19 109.84 3gu2 n GLY 236 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3gu2 n GLY 236 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gu2 s ILE 237 N -3.02 4.77 -0.00 -0.61 1.01 -1.26 -4.71 121.20 117.38 3gu2 s ILE 237 Ca 0.00 1.92 -0.02 0.00 0.00 0.00 0.00 60.65 62.55 3gu2 s ILE 237 Cb 0.00 -4.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 3gu2 s ILE 237 CO 0.00 -0.07 0.15 -0.13 0.00 0.00 0.00 174.94 174.89 3gu2 s ARG 238 N 2.57 3.32 0.26 2.79 0.52 -1.26 -0.28 118.95 126.87 3gu2 s ARG 238 Ca 0.44 -0.38 -0.30 0.00 -0.52 0.00 0.00 55.73 54.96 3gu2 s ARG 238 Cb -0.16 -3.02 -0.09 0.00 0.52 0.00 0.00 34.95 32.20 3gu2 s ARG 238 CO 0.11 0.66 1.07 0.00 0.02 0.00 0.00 175.30 177.16 3gu2 s ALA 239 N -1.30 3.39 -2.13 2.13 0.00 -0.73 -4.58 121.76 118.53 3gu2 s ALA 239 Ca 0.27 0.83 0.17 0.00 0.00 0.00 0.00 51.96 53.23 3gu2 s ALA 239 Cb -0.12 -3.31 0.16 0.00 0.00 0.00 0.00 23.12 19.84 3gu2 s ALA 239 CO 0.18 -0.10 1.07 0.41 0.00 0.00 0.00 175.76 177.32 3gu2 n GLY 240 N 1.38 0.43 3.30 0.00 0.00 0.82 -4.55 105.19 106.57 3gu2 n GLY 240 Ca -0.01 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.39 3gu2 n GLY 240 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gu2 s VAL 241 N -1.42 0.07 0.00 1.61 -7.23 -1.17 -4.31 120.40 107.94 3gu2 s VAL 241 Ca 0.21 -0.55 0.00 0.00 -1.81 0.00 0.00 61.98 59.83 3gu2 s VAL 241 Cb 0.15 -0.96 0.00 0.00 0.56 0.00 0.00 36.38 36.13 3gu2 s VAL 241 CO 0.22 -0.30 0.00 -0.38 -0.31 0.00 0.00 175.10 174.33 3gu2 n ILE 242 N 0.49 0.00 0.00 -0.62 5.41 -0.80 -1.59 119.36 122.25 3gu2 n ILE 242 Ca -0.18 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.57 3gu2 n ILE 242 Cb 0.60 -0.68 0.00 0.00 -0.71 0.00 0.00 39.64 38.85 3gu2 n ILE 242 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3gu2 n LEU 244 N 0.00 0.00 -3.93 1.39 4.77 -0.76 -1.10 117.00 117.36 3gu2 n LEU 244 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 3gu2 n LEU 244 Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 3gu2 n LEU 244 CO 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 177.39 175.78 3gu2 s ALA 245 N -2.00 -0.08 0.14 -1.18 0.00 -1.26 -0.31 121.76 117.07 3gu2 s ALA 245 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.57 3gu2 s ALA 245 Cb 0.00 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 3gu2 s ALA 245 CO 0.00 -0.18 0.03 -1.54 0.00 0.00 0.00 175.76 174.07 3gu2 s SER 246 N -1.42 0.65 0.89 0.00 1.04 -1.18 -4.65 113.70 109.03 3gu2 s SER 246 Ca -0.15 -1.17 -0.11 0.00 0.48 0.00 0.00 55.95 54.99 3gu2 s SER 246 Cb -0.09 0.22 0.18 0.00 0.10 0.00 0.00 66.02 66.43 3gu2 s SER 246 CO 0.00 -0.66 1.22 -0.44 0.98 0.00 0.00 173.24 174.35 3gu2 s SER 247 N -3.08 3.49 0.08 7.02 0.01 -1.20 -3.68 113.70 116.34 3gu2 s SER 247 Ca 0.22 0.07 -0.16 0.00 1.31 0.00 0.00 55.95 57.40 3gu2 s SER 247 Cb 0.07 -0.22 -0.11 0.00 0.21 0.00 0.00 66.02 65.97 3gu2 s SER 247 CO 0.01 -2.47 1.36 -0.09 0.41 0.00 0.00 173.24 172.47 3gu2 h ARG 248 N -1.30 0.66 0.00 12.44 2.43 -1.90 -3.33 114.38 123.37 3gu2 h ARG 248 Ca -0.42 -0.40 0.00 0.00 -0.81 0.00 0.00 59.98 58.35 3gu2 h ARG 248 Cb 1.24 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 3gu2 h ARG 248 CO 0.39 1.02 -0.53 -0.25 -1.51 0.00 0.00 179.97 179.09 3gu2 n ASP 249 N -4.24 0.52 0.00 -3.80 8.00 -1.26 -4.55 116.55 111.22 3gu2 n ASP 249 Ca -0.05 -0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.22 3gu2 n ASP 249 Cb 0.52 0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.88 3gu2 n ASP 249 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gu2 n ALA 250 N -1.53 0.00 -3.03 2.24 0.00 -1.25 -5.05 120.51 111.89 3gu2 n ALA 250 Ca 0.05 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.05 3gu2 n ALA 250 Cb 0.35 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.76 3gu2 n ALA 250 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3gu2 s ILE 251 N -2.00 4.84 0.78 0.00 1.01 -1.26 -3.24 121.20 121.32 3gu2 s ILE 251 Ca 0.00 -1.39 -0.15 0.00 0.00 0.00 0.00 60.65 59.11 3gu2 s ILE 251 Cb 0.00 -4.64 0.01 0.00 0.01 0.00 0.00 42.46 37.83 3gu2 s ILE 251 CO 0.00 -1.33 0.72 0.35 0.00 0.00 0.00 174.94 174.69 3gu2 n THR 252 N 5.33 1.75 -0.03 2.92 -2.24 -1.26 -4.61 114.28 116.14 3gu2 n THR 252 Ca 0.10 -0.32 0.19 0.00 -2.27 0.00 0.00 64.05 61.75 3gu2 n THR 252 Cb 0.46 -0.88 0.66 0.00 -2.10 0.00 0.00 70.33 68.47 3gu2 n THR 252 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3gu2 h PRO 253 N -0.64 0.07 -0.07 -0.78 0.11 -1.98 0.30 132.00 129.01 3gu2 h PRO 253 Ca -0.46 -0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.49 3gu2 h PRO 253 Cb 1.33 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 32.43 3gu2 h PRO 253 CO 0.43 0.05 -0.56 -0.92 -0.21 0.00 0.00 178.00 176.79 3gu2 h TYR 254 N 0.08 0.69 -0.59 0.65 3.20 -2.02 -3.16 116.97 115.83 3gu2 h TYR 254 Ca 0.27 -0.33 -0.04 0.00 3.14 0.00 0.00 58.73 61.77 3gu2 h TYR 254 Cb 0.98 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 39.12 3gu2 h TYR 254 CO -0.00 1.12 0.20 0.93 -1.64 0.00 0.00 178.16 178.77 3gu2 h GLU 255 N 0.07 0.87 0.00 1.82 5.08 -1.19 -2.40 114.58 118.83 3gu2 h GLU 255 Ca -0.05 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3gu2 h GLU 255 Cb 1.23 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3gu2 h GLU 255 CO 0.11 0.74 0.00 1.96 -1.00 0.00 0.00 179.01 180.82 3gu2 h GLN 256 N 0.85 0.00 -0.67 2.33 4.20 -0.51 -1.83 115.11 119.48 3gu2 h GLN 256 Ca 0.20 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.84 3gu2 h GLN 256 Cb 0.22 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 3gu2 h GLN 256 CO -0.01 0.00 0.17 -0.07 -0.67 0.00 0.00 178.83 178.25 3gu2 h LEU 257 N 0.00 1.00 -0.45 1.46 3.38 -1.40 -1.92 115.31 117.38 3gu2 h LEU 257 Ca 0.00 -0.23 -0.16 0.00 0.09 0.00 0.00 57.88 57.58 3gu2 h LEU 257 Cb 0.24 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3gu2 h LEU 257 CO 0.00 0.97 -0.45 -0.26 0.09 0.00 0.00 178.44 178.79 3gu2 h PHE 258 N 0.99 0.97 -0.63 1.13 -1.00 -1.46 -1.81 116.94 115.12 3gu2 h PHE 258 Ca 0.21 -0.31 -0.05 0.00 2.81 0.00 0.00 57.97 60.64 3gu2 h PHE 258 Cb 0.35 -0.20 -0.03 0.00 3.61 0.00 0.00 35.95 39.68 3gu2 h PHE 258 CO 0.03 1.10 0.21 0.74 -1.61 0.00 0.00 178.31 178.77 3gu2 h PHE 259 N 0.64 0.97 -0.04 -0.55 -1.00 -1.32 0.11 116.94 115.74 3gu2 h PHE 259 Ca 0.04 -0.08 -0.24 0.00 2.81 0.00 0.00 57.97 60.50 3gu2 h PHE 259 Cb 1.02 -0.29 0.01 0.00 3.61 0.00 0.00 35.95 40.30 3gu2 h PHE 259 CO 0.06 0.77 -0.94 0.00 -1.61 0.00 0.00 178.31 176.59 3gu2 h ARG 260 N 0.92 0.64 -0.67 1.51 3.08 -1.27 -0.28 114.38 118.31 3gu2 h ARG 260 Ca 0.21 -0.63 -0.03 0.00 0.07 0.00 0.00 59.98 59.60 3gu2 h ARG 260 Cb 0.25 0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 3gu2 h ARG 260 CO -0.01 1.24 0.31 0.00 -1.07 0.00 0.00 179.97 180.44 3gu2 h ALA 261 N 0.55 0.86 -0.31 0.04 0.00 -1.11 -1.69 119.26 117.60 3gu2 h ALA 261 Ca -0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3gu2 h ALA 261 Cb 1.58 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3gu2 h ALA 261 CO 0.18 0.44 0.11 0.00 0.00 0.00 0.00 179.25 179.98 3gu2 h ALA 262 N 1.14 0.40 -0.60 0.00 0.00 -0.72 -1.72 119.26 117.76 3gu2 h ALA 262 Ca 0.23 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.06 3gu2 h ALA 262 Cb 0.14 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 3gu2 h ALA 262 CO -0.03 0.02 0.31 0.00 0.00 0.00 0.00 179.25 179.55 3gu2 h ALA 263 N 0.95 0.80 0.65 0.00 0.00 -0.79 0.12 119.26 120.99 3gu2 h ALA 263 Ca 0.10 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3gu2 h ALA 263 Cb 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3gu2 h ALA 263 CO -0.01 -0.03 -0.36 0.00 0.00 0.00 0.00 179.25 178.85 3gu2 h ARG 264 N 0.58 -0.90 -0.88 0.00 3.08 -1.11 -1.12 114.38 114.03 3gu2 h ARG 264 Ca 0.27 0.06 0.08 0.00 0.07 0.00 0.00 59.98 60.46 3gu2 h ARG 264 Cb 0.20 0.21 -0.06 0.00 0.08 0.00 0.00 29.97 30.39 3gu2 h ARG 264 CO -0.19 -0.60 0.57 0.28 -1.07 0.00 0.00 179.97 178.96 3gu2 h VAL 265 N -0.94 1.02 -0.14 2.04 2.07 -0.99 -0.86 116.25 118.45 3gu2 h VAL 265 Ca -0.08 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 3gu2 h VAL 265 Cb 0.74 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 3gu2 h VAL 265 CO 0.11 0.17 0.08 -0.61 0.02 0.00 0.00 177.57 177.35 3gu2 h GLN 266 N 0.94 0.20 -0.78 1.57 -0.00 -0.39 0.35 115.11 117.00 3gu2 h GLN 266 Ca 0.39 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.99 3gu2 h GLN 266 Cb 0.28 -0.04 -0.04 0.00 0.00 0.00 0.00 27.48 27.69 3gu2 h GLN 266 CO -0.15 0.20 0.39 0.00 0.00 0.00 0.00 178.83 179.27 3gu2 h ARG 267 N 0.14 1.11 -0.05 1.69 3.08 -0.72 0.69 114.38 120.34 3gu2 h ARG 267 Ca 0.05 -0.15 -0.16 0.00 0.07 0.00 0.00 59.98 59.78 3gu2 h ARG 267 Cb 0.05 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 3gu2 h ARG 267 CO -0.01 0.85 -0.70 0.93 -1.07 0.00 0.00 179.97 179.98 3gu2 h GLU 268 N 1.10 0.23 0.00 0.04 5.08 -0.74 -3.39 114.58 116.90 3gu2 h GLU 268 Ca 0.27 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3gu2 h GLU 268 Cb 0.09 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3gu2 h GLU 268 CO -0.04 0.84 -0.25 0.25 -1.00 0.00 0.00 179.01 178.81 3gu2 n THR 269 N -3.80 0.00 -0.72 1.13 -2.24 0.12 -4.88 114.28 103.89 3gu2 n THR 269 Ca -0.03 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 3gu2 n THR 269 Cb 0.68 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 3gu2 n THR 269 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gu2 n GLY 270 N 1.34 1.13 3.65 3.38 0.00 0.24 -3.48 105.19 111.45 3gu2 n GLY 270 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 3gu2 n GLY 270 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3gu2 n VAL 271 N -2.00 1.53 -0.92 1.61 3.14 -1.26 -4.85 118.33 115.57 3gu2 n VAL 271 Ca 0.00 -0.38 -0.30 0.00 -2.96 0.00 0.00 64.34 60.70 3gu2 n VAL 271 Cb 0.00 -1.32 0.17 0.00 -1.06 0.00 0.00 33.84 31.63 3gu2 n VAL 271 CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 3gu2 s PRO 272 N -1.15 0.66 -0.07 1.45 0.02 -1.26 -4.70 135.00 129.96 3gu2 s PRO 272 Ca 0.62 0.99 -0.01 0.00 0.02 0.00 0.00 61.00 62.63 3gu2 s PRO 272 Cb -0.66 -1.73 0.03 0.00 0.02 0.00 0.00 34.50 32.16 3gu2 s PRO 272 CO 0.56 -2.70 0.00 0.42 -0.33 0.00 0.00 177.00 174.95 3gu2 s ILE 273 N -2.75 0.35 0.06 2.83 1.01 0.83 -1.90 121.20 121.63 3gu2 s ILE 273 Ca 0.65 0.12 0.08 0.00 0.00 0.00 0.00 60.65 61.50 3gu2 s ILE 273 Cb -0.21 -0.50 -0.03 0.00 0.01 0.00 0.00 42.46 41.73 3gu2 s ILE 273 CO 0.59 0.25 -0.19 0.27 0.00 0.00 0.00 174.94 175.86 3gu2 s ILE 274 N 1.86 2.72 0.40 2.92 -4.36 -0.26 -0.95 121.20 123.53 3gu2 s ILE 274 Ca 0.03 -1.28 0.06 0.00 -0.26 0.00 0.00 60.65 59.20 3gu2 s ILE 274 Cb -0.12 -2.16 -0.07 0.00 1.25 0.00 0.00 42.46 41.36 3gu2 s ILE 274 CO -0.05 0.29 0.02 0.42 0.24 0.00 0.00 174.94 175.87 3gu2 s THR 275 N -0.95 1.77 -0.07 8.37 -4.23 -0.59 -1.84 115.64 118.10 3gu2 s THR 275 Ca 0.15 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.70 3gu2 s THR 275 Cb -0.10 -2.90 -0.01 0.00 1.34 0.00 0.00 72.50 70.83 3gu2 s THR 275 CO 0.06 0.00 -0.22 -2.28 -0.54 0.00 0.00 174.62 171.64 3gu2 s HIS 276 N -2.84 2.54 0.02 3.99 2.46 0.58 -1.84 115.29 120.20 3gu2 s HIS 276 Ca 0.33 -0.71 0.08 0.00 0.47 0.00 0.00 55.06 55.24 3gu2 s HIS 276 Cb 0.09 -1.65 -0.03 0.00 -0.13 0.00 0.00 32.58 30.86 3gu2 s HIS 276 CO 0.17 -0.21 -0.24 0.95 -2.47 0.00 0.00 174.74 172.94 3gu2 s THR 277 N -0.07 2.28 -0.22 0.89 -4.23 -1.24 -3.11 115.64 109.94 3gu2 s THR 277 Ca -0.06 -1.25 -0.17 0.00 -1.18 0.00 0.00 61.69 59.04 3gu2 s THR 277 Cb -0.14 -1.88 -0.03 0.00 1.34 0.00 0.00 72.50 71.78 3gu2 s THR 277 CO 0.04 0.43 0.46 -1.58 -0.54 0.00 0.00 174.62 173.44 3gu2 s GLN 278 N -1.09 4.14 -1.55 3.99 2.00 -1.24 -4.48 119.66 121.42 3gu2 s GLN 278 Ca 0.12 0.28 -0.09 0.00 -2.00 0.00 0.00 55.36 53.67 3gu2 s GLN 278 Cb -0.10 -3.59 0.07 0.00 0.80 0.00 0.00 33.01 30.20 3gu2 s GLN 278 CO 0.02 -0.18 0.57 0.39 -0.50 0.00 0.00 175.29 175.59 3gu2 n GLU 279 N 4.94 -3.15 -2.71 1.67 1.02 -1.26 -2.36 120.64 118.78 3gu2 n GLU 279 Ca -0.06 0.38 -0.20 0.00 -0.02 0.00 0.00 57.16 57.26 3gu2 n GLU 279 Cb 0.50 -4.75 0.02 0.00 -0.02 0.00 0.00 31.44 27.19 3gu2 n GLU 279 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gu2 n GLY 280 N -1.76 -0.40 3.20 0.62 0.00 -1.26 -4.86 105.19 100.74 3gu2 n GLY 280 Ca -0.13 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 3gu2 n GLY 280 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gu2 s GLN 281 N -5.33 0.92 0.00 1.61 -0.21 -1.00 -4.61 119.66 111.04 3gu2 s GLN 281 Ca 0.17 -1.32 0.00 0.00 0.02 0.00 0.00 55.36 54.22 3gu2 s GLN 281 Cb -0.07 -0.46 0.00 0.00 1.00 0.00 0.00 33.01 33.48 3gu2 s GLN 281 CO 0.21 0.05 0.00 1.04 -2.12 0.00 0.00 175.29 174.46 3gu2 n GLN 282 N 0.09 -0.09 0.11 2.91 1.13 -1.26 -4.01 117.38 116.25 3gu2 n GLN 282 Ca -0.13 0.02 -0.13 0.00 -1.94 0.00 0.00 57.00 54.83 3gu2 n GLN 282 Cb 0.60 -2.92 -0.06 0.00 0.11 0.00 0.00 30.24 27.96 3gu2 n GLN 282 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 3gu2 h GLY 283 N 0.00 -0.57 1.00 1.08 0.00 -1.95 0.16 103.07 102.79 3gu2 h GLY 283 Ca 0.00 0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.67 3gu2 h GLY 283 CO 0.00 -0.24 0.32 -2.55 0.00 0.00 0.00 176.54 174.07 3gu2 h PRO 284 N -0.52 0.94 -1.01 4.80 0.11 -1.91 -2.06 132.00 132.36 3gu2 h PRO 284 Ca 0.03 -0.13 0.01 0.00 0.11 0.00 0.00 66.00 66.02 3gu2 h PRO 284 Cb 0.55 -0.17 -0.05 0.00 0.11 0.00 0.00 31.00 31.44 3gu2 h PRO 284 CO -0.18 0.74 0.67 1.96 -0.21 0.00 0.00 178.00 180.97 3gu2 h GLN 285 N 0.90 1.32 -0.54 1.05 7.50 -1.89 0.31 115.11 123.76 3gu2 h GLN 285 Ca 0.23 -0.08 -0.08 0.00 0.50 0.00 0.00 58.65 59.22 3gu2 h GLN 285 Cb 0.11 -0.30 -0.02 0.00 0.05 0.00 0.00 27.48 27.32 3gu2 h GLN 285 CO -0.03 0.87 0.02 1.96 -1.50 0.00 0.00 178.83 180.16 3gu2 h GLN 286 N 1.36 0.94 -0.32 1.46 4.20 -0.45 -0.38 115.11 121.93 3gu2 h GLN 286 Ca 0.37 -0.29 -0.10 0.00 0.06 0.00 0.00 58.65 58.69 3gu2 h GLN 286 Cb -0.15 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.54 3gu2 h GLN 286 CO -0.08 0.94 -0.20 0.00 -0.67 0.00 0.00 178.83 178.82 3gu2 h ALA 287 N 0.96 0.46 0.54 3.87 0.00 -0.65 -1.66 119.26 122.78 3gu2 h ALA 287 Ca 0.16 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3gu2 h ALA 287 Cb 0.50 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.19 3gu2 h ALA 287 CO 0.02 0.40 -0.26 1.49 0.00 0.00 0.00 179.25 180.91 3gu2 h GLU 288 N 0.47 -0.69 0.12 0.00 4.57 -0.37 -2.46 114.58 116.21 3gu2 h GLU 288 Ca 0.07 0.05 0.02 0.00 -1.18 0.00 0.00 59.36 58.31 3gu2 h GLU 288 Cb 0.74 0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 29.45 3gu2 h GLU 288 CO 0.06 -0.44 -0.32 1.25 -1.18 0.00 0.00 179.01 178.37 3gu2 h LEU 289 N -0.76 -0.93 -0.90 1.64 5.85 -1.06 -1.05 115.31 118.10 3gu2 h LEU 289 Ca -0.07 0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.78 3gu2 h LEU 289 Cb 0.57 0.35 -0.05 0.00 0.37 0.00 0.00 40.66 41.90 3gu2 h LEU 289 CO 0.12 -0.41 0.59 -0.07 -0.34 0.00 0.00 178.44 178.33 3gu2 h LEU 290 N -0.54 1.00 -0.55 2.25 3.38 -1.35 -0.46 115.31 119.04 3gu2 h LEU 290 Ca 0.03 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.83 3gu2 h LEU 290 Cb 0.58 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3gu2 h LEU 290 CO -0.19 0.70 -0.59 0.71 0.09 0.00 0.00 178.44 179.16 3gu2 h THR 291 N 1.17 1.35 0.00 0.22 1.35 -1.29 -0.87 112.91 114.84 3gu2 h THR 291 Ca 0.35 -1.90 -0.06 0.00 -0.55 0.00 0.00 66.41 64.25 3gu2 h THR 291 Cb -0.06 1.90 -0.01 0.00 -1.73 0.00 0.00 68.15 68.25 3gu2 h THR 291 CO -0.10 0.58 -0.26 0.77 -0.25 0.00 0.00 175.52 176.26 3gu2 h SER 292 N 0.32 0.00 -0.01 5.36 4.64 -0.75 -0.98 113.55 122.13 3gu2 h SER 292 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gu2 h SER 292 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3gu2 h SER 292 CO 0.10 0.26 0.00 0.18 -0.87 0.00 0.00 176.83 176.51 3gu2 n LEU 293 N -4.14 0.29 0.00 5.97 4.77 -0.22 -4.88 117.00 118.79 3gu2 n LEU 293 Ca -0.02 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 3gu2 n LEU 293 Cb 0.32 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3gu2 n LEU 293 CO 0.37 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 3gu2 n GLY 294 N 0.96 0.80 3.77 -0.72 0.00 -0.37 -4.79 105.19 104.85 3gu2 n GLY 294 Ca 0.20 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 3gu2 n GLY 294 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gu2 s ALA 295 N -2.00 3.39 -0.17 4.61 0.00 -0.37 -4.63 121.76 122.59 3gu2 s ALA 295 Ca 0.00 0.48 -0.29 0.00 0.00 0.00 0.00 51.96 52.15 3gu2 s ALA 295 Cb 0.00 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 3gu2 s ALA 295 CO 0.00 0.25 1.73 0.34 0.00 0.00 0.00 175.76 178.08 3gu2 s ASP 296 N -1.20 6.32 0.43 0.00 -1.08 -1.26 -4.34 116.67 115.54 3gu2 s ASP 296 Ca 0.39 1.85 0.29 0.00 -0.52 0.00 0.00 52.55 54.56 3gu2 s ASP 296 Cb -0.24 -2.53 1.57 0.00 -1.46 0.00 0.00 42.92 40.26 3gu2 s ASP 296 CO 0.29 -1.27 1.89 1.55 0.52 0.00 0.00 175.17 178.15 3gu2 h PRO 297 N 11.03 0.00 -0.01 4.34 0.13 -1.89 -0.05 132.00 145.56 3gu2 h PRO 297 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3gu2 h PRO 297 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3gu2 h PRO 297 CO 0.98 0.00 -0.05 0.00 -0.23 0.00 0.00 178.00 178.70 3gu2 n ALA 298 N -1.87 2.70 -1.72 -0.56 0.00 -1.26 -3.48 120.51 114.31 3gu2 n ALA 298 Ca -0.02 -0.30 0.06 0.00 0.00 0.00 0.00 53.44 53.18 3gu2 n ALA 298 Cb 0.05 -1.34 0.12 0.00 0.00 0.00 0.00 19.45 18.28 3gu2 n ALA 298 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3gu2 n ARG 299 N -0.67 0.91 -4.59 0.00 5.12 -0.04 -4.53 116.66 112.86 3gu2 n ARG 299 Ca 0.18 -2.46 -0.27 0.00 -1.93 0.00 0.00 57.85 53.37 3gu2 n ARG 299 Cb 0.25 -1.06 -0.17 0.00 -1.16 0.00 0.00 32.46 30.33 3gu2 n ARG 299 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3gu2 s ILE 300 N -1.92 1.41 -0.15 0.55 1.01 -1.20 -0.12 121.20 120.78 3gu2 s ILE 300 Ca 0.29 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.33 3gu2 s ILE 300 Cb 0.29 -1.28 0.03 0.00 0.01 0.00 0.00 42.46 41.51 3gu2 s ILE 300 CO -0.05 0.42 -0.10 -0.32 0.00 0.00 0.00 174.94 174.89 3gu2 s MET 301 N 0.81 1.87 -0.21 2.79 1.75 -0.12 -2.01 119.30 124.18 3gu2 s MET 301 Ca -0.11 -0.54 -0.22 0.00 -1.25 0.00 0.00 55.69 53.58 3gu2 s MET 301 Cb -0.16 -2.03 -0.02 0.00 2.84 0.00 0.00 34.83 35.47 3gu2 s MET 301 CO 0.02 -0.33 0.69 0.42 -0.65 0.00 0.00 175.02 175.17 3gu2 s ILE 302 N 1.55 4.97 0.77 10.11 -1.09 -0.33 -1.53 121.20 135.65 3gu2 s ILE 302 Ca 0.03 1.30 -0.05 0.00 -2.23 0.00 0.00 60.65 59.70 3gu2 s ILE 302 Cb -0.14 -4.00 0.14 0.00 -1.58 0.00 0.00 42.46 36.88 3gu2 s ILE 302 CO -0.09 0.06 1.07 -0.83 -1.23 0.00 0.00 174.94 173.92 3gu2 s GLY 303 N 1.25 1.76 -1.15 6.18 0.00 -0.77 -1.30 107.32 113.29 3gu2 s GLY 303 Ca 0.31 -1.55 -0.11 0.00 0.00 0.00 0.00 44.72 43.36 3gu2 s GLY 303 CO 0.10 -0.95 0.40 1.42 0.00 0.00 0.00 173.10 174.07 3gu2 n HIS 304 N -3.05 -1.65 0.23 1.90 8.25 -1.21 -3.60 115.22 116.09 3gu2 n HIS 304 Ca 0.14 0.42 0.12 0.00 -0.26 0.00 0.00 57.72 58.14 3gu2 n HIS 304 Cb 0.60 -2.18 0.39 0.00 1.12 0.00 0.00 29.99 29.93 3gu2 n HIS 304 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 3gu2 h MET 305 N -0.71 0.00 0.00 -0.41 2.86 -1.59 -1.61 114.93 113.48 3gu2 h MET 305 Ca -0.38 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 3gu2 h MET 305 Cb 1.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.91 3gu2 h MET 305 CO 0.51 0.11 0.00 -0.40 1.06 0.00 0.00 176.91 178.19 3gu2 n ASP 306 N -3.18 0.24 0.17 1.22 5.75 -1.24 -1.83 116.55 117.69 3gu2 n ASP 306 Ca 0.02 0.57 0.13 0.00 -0.01 0.00 0.00 54.79 55.50 3gu2 n ASP 306 Cb 0.46 -0.62 0.60 0.00 -1.03 0.00 0.00 41.12 40.52 3gu2 n ASP 306 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3gu2 h GLY 307 N 1.72 0.00 -5.07 6.12 0.00 -1.64 -3.42 103.07 100.78 3gu2 h GLY 307 Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.65 3gu2 h GLY 307 CO 0.00 0.00 -0.77 0.21 0.00 0.00 0.00 176.54 175.98 3gu2 s ASN 308 N -4.44 4.01 0.00 0.19 3.84 -0.76 -4.03 114.94 113.75 3gu2 s ASN 308 Ca 0.01 -0.23 0.19 0.00 0.21 0.00 0.00 52.86 53.04 3gu2 s ASN 308 Cb 0.09 -1.02 0.10 0.00 -0.55 0.00 0.00 41.25 39.86 3gu2 s ASN 308 CO 0.36 0.30 1.04 0.35 -2.79 0.00 0.00 177.10 176.36 3gu2 n THR 309 N 2.59 0.00 -3.11 -5.21 -2.24 -1.26 -4.87 114.28 100.18 3gu2 n THR 309 Ca -0.17 -0.44 -0.42 0.00 -2.27 0.00 0.00 64.05 60.75 3gu2 n THR 309 Cb 0.52 1.33 -0.07 0.00 -2.10 0.00 0.00 70.33 70.02 3gu2 n THR 309 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3gu2 s ASP 310 N -1.75 6.40 0.59 3.42 -1.08 -1.26 -4.88 116.67 118.10 3gu2 s ASP 310 Ca 0.20 0.01 0.35 0.00 -0.52 0.00 0.00 52.55 52.59 3gu2 s ASP 310 Cb 0.15 -2.33 1.85 0.00 -1.46 0.00 0.00 42.92 41.14 3gu2 s ASP 310 CO 0.31 -0.65 2.20 1.55 0.52 0.00 0.00 175.17 179.10 3gu2 h PRO 311 N 8.59 0.00 -0.16 4.34 0.13 -1.95 -0.39 132.00 142.55 3gu2 h PRO 311 Ca -0.26 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.85 3gu2 h PRO 311 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 3gu2 h PRO 311 CO 0.85 0.04 0.01 0.00 -0.23 0.00 0.00 178.00 178.67 3gu2 h ALA 312 N 1.96 1.71 -0.40 -0.56 0.00 -1.99 0.30 119.26 120.28 3gu2 h ALA 312 Ca -0.00 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 3gu2 h ALA 312 Cb 0.18 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3gu2 h ALA 312 CO 0.01 0.22 -0.21 -0.92 0.00 0.00 0.00 179.25 178.35 3gu2 h TYR 313 N 0.23 0.99 -0.27 0.00 3.20 -1.48 -1.89 116.97 117.75 3gu2 h TYR 313 Ca 0.06 -0.25 -0.16 0.00 3.14 0.00 0.00 58.73 61.51 3gu2 h TYR 313 Cb 0.15 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.19 3gu2 h TYR 313 CO 0.00 1.02 -0.49 0.45 -1.64 0.00 0.00 178.16 177.51 3gu2 h HIS 314 N 0.67 0.91 -0.36 -3.82 3.86 -1.19 -3.13 115.15 112.08 3gu2 h HIS 314 Ca 0.09 -0.30 -0.04 0.00 -1.16 0.00 0.00 60.37 58.96 3gu2 h HIS 314 Cb 0.77 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 29.04 3gu2 h HIS 314 CO 0.06 1.08 0.06 0.00 0.86 0.00 0.00 177.93 179.99 3gu2 h ARG 315 N 0.58 0.53 -0.35 2.45 3.08 -0.31 -1.75 114.38 118.61 3gu2 h ARG 315 Ca 0.03 -0.09 -0.12 0.00 0.07 0.00 0.00 59.98 59.86 3gu2 h ARG 315 Cb 1.06 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 3gu2 h ARG 315 CO 0.10 0.51 -0.27 1.49 -1.07 0.00 0.00 179.97 180.74 3gu2 h GLU 316 N 0.52 0.73 -0.28 0.04 4.81 -1.29 -1.94 114.58 117.16 3gu2 h GLU 316 Ca 0.12 -0.31 -0.07 0.00 -0.13 0.00 0.00 59.36 58.97 3gu2 h GLU 316 Cb 0.24 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 3gu2 h GLU 316 CO 0.00 0.92 -0.09 1.15 -0.73 0.00 0.00 179.01 180.26 3gu2 h THR 317 N 0.63 1.29 0.00 0.32 2.02 -1.46 -2.94 112.91 112.76 3gu2 h THR 317 Ca 0.08 -1.13 -0.01 0.00 0.77 0.00 0.00 66.41 66.11 3gu2 h THR 317 Cb 0.78 1.44 -0.00 0.00 -1.74 0.00 0.00 68.15 68.63 3gu2 h THR 317 CO 0.06 0.36 -0.05 -0.07 0.37 0.00 0.00 175.52 176.19 3gu2 h LEU 318 N 0.31 0.00 -1.54 2.58 3.38 -1.19 -1.79 115.31 117.05 3gu2 h LEU 318 Ca 0.07 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.18 3gu2 h LEU 318 Cb 0.58 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 3gu2 h LEU 318 CO 0.03 0.05 0.50 0.03 0.09 0.00 0.00 178.44 179.15 3gu2 h ARG 319 N 0.00 0.46 0.00 1.13 3.08 -1.16 -0.40 114.38 117.49 3gu2 h ARG 319 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3gu2 h ARG 319 Cb 0.11 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3gu2 h ARG 319 CO 0.01 0.30 0.00 0.72 -1.07 0.00 0.00 179.97 179.93 3gu2 n HIS 320 N -4.49 0.00 -0.61 3.04 8.25 -0.67 -4.86 115.22 115.88 3gu2 n HIS 320 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 3gu2 n HIS 320 Cb 0.49 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 31.26 3gu2 n HIS 320 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gu2 n GLY 321 N -0.32 0.80 3.92 -1.41 0.00 -0.16 -4.85 105.19 103.17 3gu2 n GLY 321 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 3gu2 n GLY 321 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gu2 s VAL 322 N -3.16 4.10 0.36 1.61 -7.23 -1.25 -4.41 120.40 110.42 3gu2 s VAL 322 Ca 0.00 -0.06 -0.02 0.00 -1.81 0.00 0.00 61.98 60.09 3gu2 s VAL 322 Cb 0.00 -3.58 -0.04 0.00 0.56 0.00 0.00 36.38 33.32 3gu2 s VAL 322 CO 0.00 -0.55 0.60 -0.44 -0.31 0.00 0.00 175.10 174.40 3gu2 s SER 323 N -4.23 6.33 0.06 4.85 0.01 -0.85 -4.66 113.70 115.21 3gu2 s SER 323 Ca 0.51 0.63 0.05 0.00 1.31 0.00 0.00 55.95 58.44 3gu2 s SER 323 Cb -0.10 -2.11 -0.03 0.00 0.21 0.00 0.00 66.02 63.99 3gu2 s SER 323 CO 0.43 -0.33 -0.14 0.27 0.41 0.00 0.00 173.24 173.89 3gu2 s ILE 324 N -2.34 1.08 -0.05 1.44 -4.36 1.00 -1.18 121.20 116.78 3gu2 s ILE 324 Ca 0.43 -1.19 0.06 0.00 -0.26 0.00 0.00 60.65 59.69 3gu2 s ILE 324 Cb -0.10 -1.02 -0.01 0.00 1.25 0.00 0.00 42.46 42.58 3gu2 s ILE 324 CO 0.36 -0.16 -0.24 0.00 0.24 0.00 0.00 174.94 175.15 3gu2 s ALA 325 N -1.13 2.04 -1.07 2.27 0.00 -0.42 -2.18 121.76 121.27 3gu2 s ALA 325 Ca -0.01 -0.99 -0.12 0.00 0.00 0.00 0.00 51.96 50.84 3gu2 s ALA 325 Cb -0.09 -0.62 0.24 0.00 0.00 0.00 0.00 23.12 22.64 3gu2 s ALA 325 CO 0.02 0.41 1.12 -0.06 0.00 0.00 0.00 175.76 177.24 3gu2 s PHE 326 N -0.19 3.96 -0.43 0.00 0.40 -0.64 -1.84 117.98 119.23 3gu2 s PHE 326 Ca -0.02 -2.38 0.15 0.00 -0.60 0.00 0.00 56.93 54.09 3gu2 s PHE 326 Cb -0.13 -3.96 0.71 0.00 0.51 0.00 0.00 43.02 40.15 3gu2 s PHE 326 CO 0.03 -1.08 1.62 -0.40 0.70 0.00 0.00 175.22 176.09 3gu2 n ASP 327 N 3.75 4.95 -1.73 1.36 5.68 -1.25 -1.18 116.55 128.13 3gu2 n ASP 327 Ca 0.25 -2.82 -0.02 0.00 -0.50 0.00 0.00 54.79 51.70 3gu2 n ASP 327 Cb 0.42 -0.61 0.07 0.00 -1.14 0.00 0.00 41.12 39.86 3gu2 n ASP 327 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3gu2 n ARG 328 N 0.42 1.49 -2.02 0.11 1.74 -1.06 -1.35 116.66 115.99 3gu2 n ARG 328 Ca 0.25 -3.10 -0.42 0.00 -0.77 0.00 0.00 57.85 53.81 3gu2 n ARG 328 Cb 1.03 -1.22 -0.03 0.00 -1.02 0.00 0.00 32.46 31.22 3gu2 n ARG 328 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3gu2 s ILE 329 N -2.60 3.12 0.00 0.55 1.01 -0.66 -2.11 121.20 120.51 3gu2 s ILE 329 Ca 0.36 0.65 0.00 0.00 0.00 0.00 0.00 60.65 61.67 3gu2 s ILE 329 Cb 0.37 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 39.42 3gu2 s ILE 329 CO -0.07 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.49 3gu2 n GLY 330 N 3.81 2.74 3.35 6.18 0.00 -1.26 -4.47 105.19 115.55 3gu2 n GLY 330 Ca 0.14 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.71 3gu2 n GLY 330 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gu2 s LEU 331 N 0.00 5.75 -0.19 0.99 2.96 -0.90 -2.64 118.68 124.65 3gu2 s LEU 331 Ca 0.00 -1.70 -0.05 0.00 -0.22 0.00 0.00 54.13 52.16 3gu2 s LEU 331 Cb 0.00 -2.27 -0.02 0.00 0.50 0.00 0.00 46.19 44.40 3gu2 s LEU 331 CO 0.00 -0.98 -0.01 -1.10 -1.32 0.00 0.00 176.35 172.93 3gu2 s GLN 332 N 2.11 3.60 0.00 1.98 -0.21 -0.20 -4.53 119.66 122.41 3gu2 s GLN 332 Ca 0.11 -0.53 0.00 0.00 0.02 0.00 0.00 55.36 54.95 3gu2 s GLN 332 Cb -0.23 -3.04 0.00 0.00 1.00 0.00 0.00 33.01 30.73 3gu2 s GLN 332 CO 0.03 0.03 0.00 0.41 -2.12 0.00 0.00 175.29 173.64 3gu2 n GLY 333 N 4.18 0.36 3.55 3.09 0.00 -0.65 -4.06 105.19 111.68 3gu2 n GLY 333 Ca -0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.67 3gu2 n GLY 333 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3gu2 n MET 334 N -1.90 0.61 -2.03 1.61 0.00 -1.26 -3.90 117.12 110.25 3gu2 n MET 334 Ca 0.00 -0.66 -0.10 0.00 0.00 0.00 0.00 57.70 56.94 3gu2 n MET 334 Cb 0.02 -3.50 0.01 0.00 0.00 0.00 0.00 33.22 29.75 3gu2 n MET 334 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 175.97 177.52 3gu2 n VAL 335 N 8.49 -1.06 0.00 1.12 3.14 -1.26 -3.15 118.33 125.61 3gu2 n VAL 335 Ca 0.47 0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.86 3gu2 n VAL 335 Cb 0.43 -0.96 0.00 0.00 -1.06 0.00 0.00 33.84 32.25 3gu2 n VAL 335 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3gu2 n GLY 336 N -0.26 2.27 3.41 7.55 0.00 -1.25 -5.11 105.19 111.80 3gu2 n GLY 336 Ca -0.04 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 3gu2 n GLY 336 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gu2 n THR 337 N 0.00 1.53 -1.68 2.61 -2.24 -1.19 -4.84 114.28 108.47 3gu2 n THR 337 Ca 0.00 -0.50 -0.21 0.00 -2.27 0.00 0.00 64.05 61.07 3gu2 n THR 337 Cb 0.00 -0.33 0.15 0.00 -2.10 0.00 0.00 70.33 68.04 3gu2 n THR 337 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3gu2 n PRO 338 N 0.88 -0.93 -3.14 -0.78 -0.04 -1.26 -1.63 135.00 128.10 3gu2 n PRO 338 Ca 0.12 -1.50 -0.23 0.00 -0.04 0.00 0.00 63.50 61.85 3gu2 n PRO 338 Cb 0.36 -0.99 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 3gu2 n PRO 338 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3gu2 s THR 339 N -3.10 4.44 0.39 0.52 -4.23 -1.26 -2.93 115.64 109.47 3gu2 s THR 339 Ca 0.55 -0.48 0.09 0.00 -1.18 0.00 0.00 61.69 60.67 3gu2 s THR 339 Cb -0.01 -3.63 0.18 0.00 1.34 0.00 0.00 72.50 70.38 3gu2 s THR 339 CO 0.38 -0.43 1.95 0.44 -0.54 0.00 0.00 174.62 176.42 3gu2 h ASP 340 N 0.54 0.29 -0.62 3.99 3.32 -1.97 -1.55 116.42 120.42 3gu2 h ASP 340 Ca -0.47 -0.04 0.07 0.00 0.02 0.00 0.00 57.03 56.60 3gu2 h ASP 340 Cb 1.24 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 40.66 3gu2 h ASP 340 CO 0.59 0.37 0.31 0.00 -1.72 0.00 0.00 179.24 178.79 3gu2 h ALA 341 N 1.67 0.83 -0.35 3.45 0.00 -1.99 0.21 119.26 123.07 3gu2 h ALA 341 Ca 0.07 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 3gu2 h ALA 341 Cb 0.27 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3gu2 h ALA 341 CO 0.01 -0.05 -0.37 0.93 0.00 0.00 0.00 179.25 179.77 3gu2 h GLU 342 N 0.57 0.83 -0.15 0.00 5.08 -1.70 -2.12 114.58 117.09 3gu2 h GLU 342 Ca 0.29 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3gu2 h GLU 342 Cb 0.24 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3gu2 h GLU 342 CO -0.21 1.06 0.10 0.00 -1.00 0.00 0.00 179.01 178.95 3gu2 h ARG 343 N 0.68 0.20 -0.29 2.33 3.08 -0.50 -2.55 114.38 117.33 3gu2 h ARG 343 Ca 0.06 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 3gu2 h ARG 343 Cb 0.94 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.93 3gu2 h ARG 343 CO 0.09 0.14 -0.05 -0.07 -1.07 0.00 0.00 179.97 179.01 3gu2 h LEU 344 N 0.19 0.43 -0.22 3.04 3.38 -0.95 0.59 115.31 121.77 3gu2 h LEU 344 Ca 0.05 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3gu2 h LEU 344 Cb -0.01 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3gu2 h LEU 344 CO -0.01 0.53 0.13 -1.28 0.09 0.00 0.00 178.44 177.90 3gu2 h SER 345 N 0.43 0.27 -0.45 -0.43 0.87 -1.14 0.17 113.55 113.27 3gu2 h SER 345 Ca 0.09 -0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.55 3gu2 h SER 345 Cb 0.36 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 3gu2 h SER 345 CO 0.02 0.24 0.09 0.58 -0.53 0.00 0.00 176.83 177.23 3gu2 h VAL 346 N 0.27 1.24 -0.57 2.23 2.07 -1.06 -2.38 116.25 118.05 3gu2 h VAL 346 Ca 0.08 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 3gu2 h VAL 346 Cb 0.03 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 3gu2 h VAL 346 CO -0.01 0.30 0.31 -0.07 0.02 0.00 0.00 177.57 178.12 3gu2 h LEU 347 N 0.61 0.72 -1.20 2.57 3.38 -0.65 -0.41 115.31 120.33 3gu2 h LEU 347 Ca 0.14 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 3gu2 h LEU 347 Cb 0.35 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3gu2 h LEU 347 CO 0.00 0.61 -0.35 0.71 0.09 0.00 0.00 178.44 179.51 3gu2 h THR 348 N 0.77 1.01 0.01 0.22 1.35 -0.88 0.24 112.91 115.63 3gu2 h THR 348 Ca 0.20 -1.32 -0.00 0.00 -0.55 0.00 0.00 66.41 64.74 3gu2 h THR 348 Cb 0.06 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 3gu2 h THR 348 CO -0.03 0.35 -0.00 0.74 -0.25 0.00 0.00 175.52 176.32 3gu2 h THR 349 N 0.00 1.41 -0.78 6.82 2.02 -0.92 -1.88 112.91 119.58 3gu2 h THR 349 Ca -0.00 -1.29 -0.01 0.00 0.77 0.00 0.00 66.41 65.88 3gu2 h THR 349 Cb 0.74 2.28 -0.04 0.00 -1.74 0.00 0.00 68.15 69.39 3gu2 h THR 349 CO 0.05 0.33 0.44 -0.07 0.37 0.00 0.00 175.52 176.64 3gu2 h LEU 350 N -0.57 0.96 -0.73 2.58 3.38 -0.75 -2.39 115.31 117.80 3gu2 h LEU 350 Ca -0.00 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 3gu2 h LEU 350 Cb 0.55 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3gu2 h LEU 350 CO 0.00 0.77 0.17 -0.07 0.09 0.00 0.00 178.44 179.40 3gu2 h LEU 351 N 1.09 1.07 0.00 1.67 3.38 -0.52 -1.76 115.31 120.24 3gu2 h LEU 351 Ca 0.28 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3gu2 h LEU 351 Cb 0.01 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.47 3gu2 h LEU 351 CO -0.05 1.03 0.00 0.61 0.09 0.00 0.00 178.44 180.12 3gu2 n GLY 352 N -0.68 -0.97 0.51 0.83 0.00 -0.71 -1.85 105.19 102.33 3gu2 n GLY 352 Ca 0.05 -0.12 0.05 0.00 0.00 0.00 0.00 46.02 46.00 3gu2 n GLY 352 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gu2 n GLU 353 N -0.80 2.35 -1.45 1.61 1.02 -0.71 -5.00 120.64 117.67 3gu2 n GLU 353 Ca 0.14 -1.78 -0.05 0.00 -0.02 0.00 0.00 57.16 55.45 3gu2 n GLU 353 Cb 0.06 -1.22 -0.01 0.00 -0.02 0.00 0.00 31.44 30.25 3gu2 n GLU 353 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gu2 n GLY 354 N 0.40 0.56 1.14 0.62 0.00 -0.77 -4.96 105.19 102.17 3gu2 n GLY 354 Ca 0.09 -0.80 0.04 0.00 0.00 0.00 0.00 46.02 45.35 3gu2 n GLY 354 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gu2 n TYR 355 N -3.24 0.97 -0.08 1.61 4.01 -0.93 -4.55 117.16 114.96 3gu2 n TYR 355 Ca -0.05 -0.34 0.19 0.00 -0.16 0.00 0.00 57.90 57.54 3gu2 n TYR 355 Cb 0.28 -0.28 0.63 0.00 -0.31 0.00 0.00 39.34 39.66 3gu2 n TYR 355 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3gu2 h ALA 356 N 3.03 2.40 0.00 -0.72 0.00 -1.84 0.46 119.26 122.59 3gu2 h ALA 356 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3gu2 h ALA 356 Cb 1.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3gu2 h ALA 356 CO 0.22 -0.58 0.00 -0.25 0.00 0.00 0.00 179.25 178.64 3gu2 n ASP 357 N -4.40 0.00 -0.09 0.00 8.00 -1.26 -3.20 116.55 115.59 3gu2 n ASP 357 Ca 0.12 0.43 0.01 0.00 0.71 0.00 0.00 54.79 56.06 3gu2 n ASP 357 Cb 0.62 -0.47 0.02 0.00 -0.02 0.00 0.00 41.12 41.27 3gu2 n ASP 357 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3gu2 n ARG 358 N -1.47 1.75 -4.62 -1.24 5.12 0.15 -4.83 116.66 111.52 3gu2 n ARG 358 Ca 0.05 -1.26 -0.33 0.00 -1.93 0.00 0.00 57.85 54.37 3gu2 n ARG 358 Cb 0.19 -1.04 -0.13 0.00 -1.16 0.00 0.00 32.46 30.32 3gu2 n ARG 358 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3gu2 s LEU 359 N -0.72 3.00 0.20 0.55 1.43 -1.19 -0.00 118.68 121.94 3gu2 s LEU 359 Ca 0.03 -0.19 0.08 0.00 -1.03 0.00 0.00 54.13 53.02 3gu2 s LEU 359 Cb 0.02 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.51 3gu2 s LEU 359 CO 0.02 0.21 -0.15 -0.76 0.23 0.00 0.00 176.35 175.90 3gu2 s LEU 360 N 0.09 2.54 -0.03 1.79 1.02 -0.93 -4.46 118.68 118.71 3gu2 s LEU 360 Ca -0.03 -1.00 0.04 0.00 0.02 0.00 0.00 54.13 53.16 3gu2 s LEU 360 Cb -0.14 -0.70 -0.00 0.00 0.02 0.00 0.00 46.19 45.37 3gu2 s LEU 360 CO 0.04 -0.15 -0.14 -0.76 0.02 0.00 0.00 176.35 175.36 3gu2 s LEU 361 N -3.23 1.88 0.34 1.79 1.43 -1.26 -1.62 118.68 118.01 3gu2 s LEU 361 Ca 0.22 -0.28 -0.15 0.00 -1.03 0.00 0.00 54.13 52.89 3gu2 s LEU 361 Cb -0.02 -0.78 0.03 0.00 0.03 0.00 0.00 46.19 45.46 3gu2 s LEU 361 CO 0.07 0.13 0.71 -0.55 0.23 0.00 0.00 176.35 176.93 3gu2 s SER 362 N 0.04 0.04 -0.11 2.29 0.15 -0.32 -4.18 113.70 111.60 3gu2 s SER 362 Ca -0.02 -1.04 0.07 0.00 0.70 0.00 0.00 55.95 55.67 3gu2 s SER 362 Cb -0.10 0.78 -0.12 0.00 -1.71 0.00 0.00 66.02 64.87 3gu2 s SER 362 CO 0.01 -1.51 -0.00 1.41 1.20 0.00 0.00 173.24 174.34 3gu2 n HIS 363 N -0.50 0.00 -2.99 3.44 -0.00 -1.15 -1.65 115.22 112.36 3gu2 n HIS 363 Ca -0.06 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.53 3gu2 n HIS 363 Cb 0.60 -0.53 0.04 0.00 -0.00 0.00 0.00 29.99 30.10 3gu2 n HIS 363 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 3gu2 n ASP 364 N -2.53 -4.39 -4.90 0.41 2.03 -0.46 -3.83 116.55 102.89 3gu2 n ASP 364 Ca -0.19 -0.26 -0.29 0.00 0.52 0.00 0.00 54.79 54.56 3gu2 n ASP 364 Cb 0.83 -3.05 0.06 0.00 -0.72 0.00 0.00 41.12 38.23 3gu2 n ASP 364 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3gu2 s SER 365 N -3.08 5.19 -0.18 1.67 1.04 -1.26 -4.79 113.70 112.30 3gu2 s SER 365 Ca 0.29 0.94 0.00 0.00 0.48 0.00 0.00 55.95 57.66 3gu2 s SER 365 Cb -0.13 -1.68 0.04 0.00 0.10 0.00 0.00 66.02 64.35 3gu2 s SER 365 CO 0.35 -1.46 -0.09 -0.63 0.98 0.00 0.00 173.24 172.39 3gu2 s ILE 366 N -3.36 1.41 0.16 -1.02 1.01 -1.25 -0.86 121.20 117.29 3gu2 s ILE 366 Ca 0.59 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 60.47 3gu2 s ILE 366 Cb -0.11 -1.50 -0.16 0.00 0.01 0.00 0.00 42.46 40.71 3gu2 s ILE 366 CO 0.50 0.21 1.36 -0.50 0.00 0.00 0.00 174.94 176.51 3gu2 h TRP 367 N 8.05 0.34 -2.81 3.97 6.55 -1.12 -3.44 115.95 127.49 3gu2 h TRP 367 Ca -0.28 -0.19 -0.19 0.00 0.95 0.00 0.00 58.89 59.18 3gu2 h TRP 367 Cb 1.11 -0.04 -0.31 0.00 -0.86 0.00 0.00 29.16 29.06 3gu2 h TRP 367 CO 0.48 1.00 -0.50 -1.58 -1.05 0.00 0.00 178.44 176.79 3gu2 s HIS 368 N -3.21 -0.48 0.28 0.49 2.46 -0.73 -4.86 115.29 109.23 3gu2 s HIS 368 Ca -0.03 1.06 -0.28 0.00 0.47 0.00 0.00 55.06 56.27 3gu2 s HIS 368 Cb 0.10 0.03 -0.09 0.00 -0.13 0.00 0.00 32.58 32.48 3gu2 s HIS 368 CO 0.83 -0.37 0.95 -1.58 -2.47 0.00 0.00 174.74 172.10 3gu2 s TRP 369 N 2.37 3.85 0.22 3.88 0.52 -1.26 -2.37 118.94 126.14 3gu2 s TRP 369 Ca -0.00 1.86 -0.09 0.00 0.02 0.00 0.00 56.10 57.88 3gu2 s TRP 369 Cb -0.12 -2.96 -0.07 0.00 -1.15 0.00 0.00 33.47 29.17 3gu2 s TRP 369 CO -0.09 0.33 0.53 -0.51 0.02 0.00 0.00 176.95 177.22 3gu2 s LEU 370 N -1.57 4.18 0.00 2.99 1.43 0.96 -4.87 118.68 121.81 3gu2 s LEU 370 Ca 0.45 0.89 0.00 0.00 -1.03 0.00 0.00 54.13 54.44 3gu2 s LEU 370 Cb -0.23 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.37 3gu2 s LEU 370 CO 0.29 -0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.42 3gu2 n GLY 371 N -0.08 -1.65 3.72 -3.19 0.00 -1.24 -4.71 105.19 98.04 3gu2 n GLY 371 Ca -0.00 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 3gu2 n GLY 371 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3gu2 s ARG 372 N 0.00 4.32 0.18 1.61 3.52 -1.26 -4.70 118.95 122.62 3gu2 s ARG 372 Ca 0.00 2.07 -0.33 0.00 -0.13 0.00 0.00 55.73 57.34 3gu2 s ARG 372 Cb 0.00 -3.25 -0.15 0.00 -1.56 0.00 0.00 34.95 29.99 3gu2 s ARG 372 CO 0.00 -0.43 1.27 -0.35 -0.81 0.00 0.00 175.30 174.97 3gu2 n PRO 373 N 3.94 1.43 -1.67 5.12 -0.04 -1.26 -4.82 135.00 137.69 3gu2 n PRO 373 Ca 0.11 0.51 -0.52 0.00 -0.04 0.00 0.00 63.50 63.56 3gu2 n PRO 373 Cb 0.42 -2.08 -0.06 0.00 -0.04 0.00 0.00 33.50 31.74 3gu2 n PRO 373 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3gu2 n PRO 374 N 2.02 1.57 -2.99 0.54 -0.02 -1.26 -4.94 135.00 129.92 3gu2 n PRO 374 Ca 0.15 0.57 -0.43 0.00 -2.02 0.00 0.00 63.50 61.77 3gu2 n PRO 374 Cb 0.26 -2.30 -0.05 0.00 -0.02 0.00 0.00 33.50 31.38 3gu2 n PRO 374 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gu2 s ALA 375 N 2.72 3.28 -0.42 3.55 0.00 -1.26 -5.01 121.76 124.61 3gu2 s ALA 375 Ca 0.91 -1.30 -0.18 0.00 0.00 0.00 0.00 51.96 51.40 3gu2 s ALA 375 Cb -0.89 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 18.74 3gu2 s ALA 375 CO 0.54 -2.08 0.48 0.42 0.00 0.00 0.00 175.76 175.12 3gu2 s ILE 376 N 3.28 5.03 0.98 0.00 1.01 -1.26 -5.07 121.20 125.17 3gu2 s ILE 376 Ca 0.25 -0.20 -0.14 0.00 0.00 0.00 0.00 60.65 60.56 3gu2 s ILE 376 Cb -0.14 -4.06 0.12 0.00 0.01 0.00 0.00 42.46 38.38 3gu2 s ILE 376 CO 0.18 -0.44 0.11 -2.65 0.00 0.00 0.00 174.94 172.15 3gu2 n PRO 377 N 5.74 -1.83 0.11 2.79 -0.02 -1.26 -4.91 135.00 135.62 3gu2 n PRO 377 Ca -0.06 -0.54 -0.23 0.00 -2.02 0.00 0.00 63.50 60.65 3gu2 n PRO 377 Cb 0.48 -1.43 -0.15 0.00 -0.02 0.00 0.00 33.50 32.37 3gu2 n PRO 377 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3gu2 h GLU 378 N -2.42 0.46 0.00 -0.52 4.57 -2.03 -3.31 114.58 111.32 3gu2 h GLU 378 Ca -0.28 -0.79 -0.00 0.00 -1.18 0.00 0.00 59.36 57.12 3gu2 h GLU 378 Cb 0.83 0.29 -0.00 0.00 -0.16 0.00 0.00 28.75 29.72 3gu2 h GLU 378 CO 0.18 1.38 -0.00 0.00 -1.18 0.00 0.00 179.01 179.38 3gu2 h ALA 379 N 0.12 1.00 0.00 2.92 0.00 -2.05 -3.11 119.26 118.14 3gu2 h ALA 379 Ca -0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3gu2 h ALA 379 Cb 2.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.80 3gu2 h ALA 379 CO 0.23 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.48 3gu2 h ALA 380 N 2.00 1.00 -0.40 0.00 0.00 -1.92 -3.38 119.26 116.57 3gu2 h ALA 380 Ca -0.00 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.99 3gu2 h ALA 380 Cb 0.57 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.27 3gu2 h ALA 380 CO 0.00 0.00 -0.27 -0.07 0.00 0.00 0.00 179.25 178.91 3gu2 h LEU 381 N 0.00 -0.89 -1.23 0.00 -0.00 -1.68 -1.52 115.31 109.99 3gu2 h LEU 381 Ca 0.00 0.18 -0.00 0.00 -0.00 0.00 0.00 57.88 58.05 3gu2 h LEU 381 Cb 0.72 0.44 -0.04 0.00 -0.00 0.00 0.00 40.66 41.79 3gu2 h LEU 381 CO 0.00 -0.28 0.45 1.55 -0.00 0.00 0.00 178.44 180.15 3gu2 h PRO 382 N -0.20 0.97 -0.34 1.13 0.13 -1.85 -0.91 132.00 130.93 3gu2 h PRO 382 Ca 0.19 -0.07 0.05 0.00 -0.87 0.00 0.00 66.00 65.29 3gu2 h PRO 382 Cb 0.50 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 31.40 3gu2 h PRO 382 CO -0.51 0.67 0.23 0.00 -0.23 0.00 0.00 178.00 178.15 3gu2 h ALA 383 N 1.51 2.01 -0.01 -0.56 0.00 -1.43 -2.69 119.26 118.09 3gu2 h ALA 383 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3gu2 h ALA 383 Cb -0.06 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3gu2 h ALA 383 CO -0.05 -0.08 -0.04 1.33 0.00 0.00 0.00 179.25 180.41 3gu2 n VAL 384 N -4.48 0.00 -0.25 0.00 0.24 -0.95 -1.03 118.33 111.86 3gu2 n VAL 384 Ca 0.04 -0.48 0.03 0.00 -2.04 0.00 0.00 64.34 61.89 3gu2 n VAL 384 Cb 0.24 1.24 0.13 0.00 -1.47 0.00 0.00 33.84 33.98 3gu2 n VAL 384 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3gu2 h LYS 385 N 2.31 0.06 -0.63 7.34 3.64 -0.82 -0.17 116.57 128.29 3gu2 h LYS 385 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3gu2 h LYS 385 Cb 0.51 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3gu2 h LYS 385 CO 0.00 0.04 0.00 -0.25 -2.27 0.00 0.00 179.45 176.97 3gu2 n ASP 386 N -5.39 5.20 -3.78 4.20 8.00 -1.25 -4.73 116.55 118.79 3gu2 n ASP 386 Ca 0.12 -2.68 -0.42 0.00 0.71 0.00 0.00 54.79 52.52 3gu2 n ASP 386 Cb 0.43 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 40.90 3gu2 n ASP 386 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 3gu2 n TRP 387 N 0.88 2.82 -3.70 1.24 -0.00 -0.08 -4.35 117.44 114.24 3gu2 n TRP 387 Ca 0.26 -2.78 -0.14 0.00 -0.00 0.00 0.00 57.50 54.84 3gu2 n TRP 387 Cb 1.04 -1.90 -0.08 0.00 -0.00 0.00 0.00 31.31 30.36 3gu2 n TRP 387 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 177.69 174.31 3gu2 s HIS 388 N -0.05 -0.32 -1.16 5.87 -3.43 -1.26 -4.80 115.29 110.14 3gu2 s HIS 388 Ca 0.42 0.55 0.00 0.00 -0.80 0.00 0.00 55.06 55.24 3gu2 s HIS 388 Cb 0.11 0.17 0.00 0.00 -1.43 0.00 0.00 32.58 31.44 3gu2 s HIS 388 CO -0.01 -0.42 0.69 -0.35 -2.00 0.00 0.00 174.74 172.65 3gu2 n PRO 389 N 1.37 0.00 0.00 -0.38 -0.04 -1.26 -2.33 135.00 132.36 3gu2 n PRO 389 Ca -0.20 0.23 0.11 0.00 -0.04 0.00 0.00 63.50 63.60 3gu2 n PRO 389 Cb 0.56 -1.55 0.05 0.00 -0.04 0.00 0.00 33.50 32.52 3gu2 n PRO 389 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3gu2 n LEU 390 N -1.19 2.53 -0.26 1.53 4.77 -1.26 -4.53 117.00 118.59 3gu2 n LEU 390 Ca 0.00 -0.89 -0.06 0.00 -0.03 0.00 0.00 56.01 55.03 3gu2 n LEU 390 Cb 0.05 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.20 3gu2 n LEU 390 CO 0.00 0.44 1.09 -0.74 -1.33 0.00 0.00 177.39 176.85 3gu2 h HIS 391 N 3.62 1.00 -0.03 -1.77 2.76 -1.73 -1.29 115.15 117.70 3gu2 h HIS 391 Ca 0.00 -0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.12 3gu2 h HIS 391 Cb 0.87 -0.32 -0.00 0.00 1.55 0.00 0.00 27.41 29.52 3gu2 h HIS 391 CO 0.00 0.72 -0.04 0.82 -1.30 0.00 0.00 177.93 178.13 3gu2 h ILE 392 N 0.99 1.39 -0.94 6.26 2.04 -1.83 0.80 117.51 126.23 3gu2 h ILE 392 Ca 0.25 -1.23 0.08 0.00 1.00 0.00 0.00 64.86 64.96 3gu2 h ILE 392 Cb 0.06 2.14 -0.06 0.00 -0.74 0.00 0.00 36.82 38.22 3gu2 h ILE 392 CO -0.04 0.33 0.61 0.28 0.00 0.00 0.00 178.15 179.33 3gu2 h SER 393 N -0.39 0.92 0.35 1.72 0.02 -1.82 -0.30 113.55 114.06 3gu2 h SER 393 Ca 0.00 0.01 -0.21 0.00 -0.84 0.00 0.00 61.79 60.76 3gu2 h SER 393 Cb 0.55 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.87 3gu2 h SER 393 CO 0.01 0.58 -1.83 0.47 -1.14 0.00 0.00 176.83 174.92 3gu2 n ASP 394 N -4.51 0.45 0.00 3.07 8.00 -0.49 -4.61 116.55 118.47 3gu2 n ASP 394 Ca 0.15 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.85 3gu2 n ASP 394 Cb 0.23 0.72 0.00 0.00 -0.02 0.00 0.00 41.12 42.04 3gu2 n ASP 394 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3gu2 n ASP 395 N -2.75 2.22 0.20 -2.24 8.00 0.22 -4.72 116.55 117.48 3gu2 n ASP 395 Ca -0.16 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.22 3gu2 n ASP 395 Cb 0.90 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.94 3gu2 n ASP 395 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3gu2 h ILE 396 N 0.00 0.29 -0.31 0.53 1.08 -0.94 -2.43 117.51 115.72 3gu2 h ILE 396 Ca 0.00 -0.60 0.07 0.00 -0.39 0.00 0.00 64.86 63.93 3gu2 h ILE 396 Cb 0.99 0.45 -0.02 0.00 -3.07 0.00 0.00 36.82 35.18 3gu2 h ILE 396 CO 0.00 0.06 0.22 -0.07 -0.69 0.00 0.00 178.15 177.67 3gu2 h LEU 397 N -1.04 0.10 0.05 1.44 3.38 -1.32 -0.79 115.31 117.14 3gu2 h LEU 397 Ca -0.06 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.67 3gu2 h LEU 397 Cb 0.54 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3gu2 h LEU 397 CO 0.10 0.07 -1.14 -0.65 0.09 0.00 0.00 178.44 176.91 3gu2 h PRO 398 N 0.12 0.12 -0.46 1.13 0.11 -1.81 -2.84 132.00 128.37 3gu2 h PRO 398 Ca 0.14 -0.20 -0.09 0.00 0.11 0.00 0.00 66.00 65.97 3gu2 h PRO 398 Cb 0.42 0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.59 3gu2 h PRO 398 CO -0.02 1.08 -0.06 0.22 -0.21 0.00 0.00 178.00 179.01 3gu2 h ASP 399 N 0.03 0.85 -0.20 -2.05 1.82 -0.75 -1.91 116.42 114.21 3gu2 h ASP 399 Ca -0.08 -0.34 -0.01 0.00 -0.39 0.00 0.00 57.03 56.22 3gu2 h ASP 399 Cb 1.87 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 41.64 3gu2 h ASP 399 CO 0.16 0.98 0.10 -0.07 -1.61 0.00 0.00 179.24 178.81 3gu2 h LEU 400 N 0.70 0.26 -0.55 2.28 3.38 -1.27 -2.56 115.31 117.54 3gu2 h LEU 400 Ca 0.12 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.03 3gu2 h LEU 400 Cb 0.58 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 3gu2 h LEU 400 CO 0.03 0.29 0.30 0.03 0.09 0.00 0.00 178.44 179.18 3gu2 h ARG 401 N 0.21 0.56 0.00 1.13 2.47 -1.40 -0.43 114.38 116.92 3gu2 h ARG 401 Ca 0.07 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 3gu2 h ARG 401 Cb 0.09 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.29 3gu2 h ARG 401 CO -0.01 0.37 0.00 2.89 0.56 0.00 0.00 179.97 183.78 3gu2 n ARG 402 N -4.84 0.06 0.00 0.04 1.85 -0.73 -1.81 116.66 111.24 3gu2 n ARG 402 Ca 0.05 0.18 0.12 0.00 -1.00 0.00 0.00 57.85 57.20 3gu2 n ARG 402 Cb 0.12 -1.50 0.24 0.00 -1.05 0.00 0.00 32.46 30.27 3gu2 n ARG 402 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3gu2 n ARG 403 N -1.45 0.98 0.00 2.89 1.74 -0.25 -4.93 116.66 115.64 3gu2 n ARG 403 Ca 0.05 -0.68 0.00 0.00 -0.77 0.00 0.00 57.85 56.45 3gu2 n ARG 403 Cb 0.19 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 3gu2 n ARG 403 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gu2 n GLY 404 N 1.37 1.31 3.75 -0.13 0.00 -0.75 -5.07 105.19 105.67 3gu2 n GLY 404 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3gu2 n GLY 404 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gu2 s ILE 405 N -2.06 2.68 0.51 -0.61 -1.09 -0.71 -4.97 121.20 114.94 3gu2 s ILE 405 Ca 0.00 0.59 -0.09 0.00 -2.23 0.00 0.00 60.65 58.92 3gu2 s ILE 405 Cb 0.00 -3.38 -0.05 0.00 -1.58 0.00 0.00 42.46 37.46 3gu2 s ILE 405 CO 0.00 0.10 0.87 0.42 -1.23 0.00 0.00 174.94 175.10 3gu2 s THR 406 N -0.22 4.79 0.44 2.92 -4.23 -1.26 -4.08 115.64 114.00 3gu2 s THR 406 Ca 0.57 0.57 0.10 0.00 -1.18 0.00 0.00 61.69 61.76 3gu2 s THR 406 Cb -0.41 -3.82 0.28 0.00 1.34 0.00 0.00 72.50 69.88 3gu2 s THR 406 CO 0.45 -0.85 2.07 -0.08 -0.54 0.00 0.00 174.62 175.67 3gu2 h GLU 407 N 0.37 0.39 -0.21 3.99 4.81 -1.97 -0.33 114.58 121.63 3gu2 h GLU 407 Ca -0.46 -0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 58.57 3gu2 h GLU 407 Cb 1.19 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.48 3gu2 h GLU 407 CO 0.62 0.26 -0.58 1.49 -0.73 0.00 0.00 179.01 180.07 3gu2 h GLU 408 N 0.40 0.66 -0.46 1.92 4.81 -1.99 -0.60 114.58 119.33 3gu2 h GLU 408 Ca 0.14 -0.44 -0.08 0.00 -0.13 0.00 0.00 59.36 58.85 3gu2 h GLU 408 Cb 0.06 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 3gu2 h GLU 408 CO -0.03 1.06 -0.06 1.96 -0.73 0.00 0.00 179.01 181.21 3gu2 h GLN 409 N 0.50 0.79 -0.21 1.92 4.20 -1.68 -0.10 115.11 120.53 3gu2 h GLN 409 Ca 0.00 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.44 3gu2 h GLN 409 Cb 1.16 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.85 3gu2 h GLN 409 CO 0.12 0.83 -0.01 0.28 -0.67 0.00 0.00 178.83 179.38 3gu2 h VAL 410 N 0.72 1.26 -0.01 -0.54 2.07 -0.95 -2.37 116.25 116.44 3gu2 h VAL 410 Ca 0.13 -0.90 -0.05 0.00 0.82 0.00 0.00 66.70 66.71 3gu2 h VAL 410 Cb 0.53 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 3gu2 h VAL 410 CO 0.03 0.27 -0.21 1.23 0.02 0.00 0.00 177.57 178.91 3gu2 h GLY 411 N 0.12 0.02 0.88 2.17 0.00 -0.81 -1.78 103.07 103.66 3gu2 h GLY 411 Ca 0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.33 3gu2 h GLY 411 CO 0.01 0.01 0.01 -1.61 0.00 0.00 0.00 176.54 174.96 3gu2 h GLN 412 N 0.01 0.52 -0.15 4.80 5.75 -0.81 0.27 115.11 125.50 3gu2 h GLN 412 Ca 0.00 -0.16 -0.03 0.00 -0.15 0.00 0.00 58.65 58.31 3gu2 h GLN 412 Cb 0.38 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.88 3gu2 h GLN 412 CO 0.03 0.66 -0.02 0.52 -2.65 0.00 0.00 178.83 177.36 3gu2 h MET 413 N 0.31 0.28 0.00 1.69 2.86 -1.14 0.62 114.93 119.56 3gu2 h MET 413 Ca 0.08 -0.10 -0.21 0.00 -2.06 0.00 0.00 59.70 57.42 3gu2 h MET 413 Cb 0.42 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.03 3gu2 h MET 413 CO 0.01 0.55 -1.10 1.79 1.06 0.00 0.00 176.91 179.22 3gu2 h THR 414 N -0.00 1.27 0.00 2.22 1.35 -1.34 -3.39 112.91 113.02 3gu2 h THR 414 Ca 0.04 -2.93 -0.00 0.00 -0.55 0.00 0.00 66.41 62.96 3gu2 h THR 414 Cb 0.43 2.61 -0.00 0.00 -1.73 0.00 0.00 68.15 69.46 3gu2 h THR 414 CO 0.01 0.72 -0.97 0.52 -0.25 0.00 0.00 175.52 175.56 3gu2 n VAL 415 N -3.22 0.07 0.22 6.82 0.31 0.76 -1.56 118.33 121.74 3gu2 n VAL 415 Ca -0.04 0.02 -0.17 0.00 -0.01 0.00 0.00 64.34 64.14 3gu2 n VAL 415 Cb 0.92 -1.51 -0.09 0.00 -0.91 0.00 0.00 33.84 32.25 3gu2 n VAL 415 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3gu2 h GLY 416 N -0.01 -1.11 0.95 2.92 0.00 -0.72 -1.16 103.07 103.94 3gu2 h GLY 416 Ca -0.01 0.56 -0.01 0.00 0.00 0.00 0.00 47.33 47.88 3gu2 h GLY 416 CO -0.00 -0.32 -0.13 3.43 0.00 0.00 0.00 176.54 179.51 3gu2 h ASN 417 N -0.86 -0.32 -0.97 0.19 2.35 0.06 -2.73 115.58 113.30 3gu2 h ASN 417 Ca -0.03 0.02 0.14 0.00 -0.55 0.00 0.00 56.30 55.88 3gu2 h ASN 417 Cb 0.79 0.10 -0.08 0.00 0.05 0.00 0.00 38.32 39.18 3gu2 h ASN 417 CO -0.14 -0.21 0.61 -0.65 -1.65 0.00 0.00 177.43 175.38 3gu2 h PRO 418 N -0.34 0.83 -0.39 0.81 0.11 -1.74 -0.72 132.00 130.57 3gu2 h PRO 418 Ca -0.02 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.97 3gu2 h PRO 418 Cb 0.28 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.18 3gu2 h PRO 418 CO 0.03 0.55 -0.03 0.00 -0.21 0.00 0.00 178.00 178.34 3gu2 h ALA 419 N 1.58 1.22 0.17 -0.75 0.00 -0.92 -1.40 119.26 119.16 3gu2 h ALA 419 Ca 0.49 -0.25 -0.27 0.00 0.00 0.00 0.00 54.91 54.89 3gu2 h ALA 419 Cb 0.63 -0.17 0.03 0.00 0.00 0.00 0.00 17.79 18.29 3gu2 h ALA 419 CO -0.26 0.51 -1.15 -0.09 0.00 0.00 0.00 179.25 178.26 3gu2 h ARG 420 N 0.60 0.47 -0.16 0.00 2.43 -1.03 -2.11 114.38 114.58 3gu2 h ARG 420 Ca 0.12 -0.74 -0.00 0.00 -0.81 0.00 0.00 59.98 58.54 3gu2 h ARG 420 Cb 0.42 0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 3gu2 h ARG 420 CO 0.02 1.34 0.08 1.25 -1.51 0.00 0.00 179.97 181.16 3gu2 h LEU 421 N -0.02 0.21 0.00 3.80 6.46 -1.11 -3.36 115.31 121.29 3gu2 h LEU 421 Ca -0.19 -0.11 -0.10 0.00 -0.12 0.00 0.00 57.88 57.36 3gu2 h LEU 421 Cb 1.89 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 41.75 3gu2 h LEU 421 CO 0.22 0.26 -1.88 0.49 -0.62 0.00 0.00 178.44 176.91 3gu2 n PHE 422 N -4.90 0.00 1.98 1.25 3.72 -0.53 -4.55 117.46 114.42 3gu2 n PHE 422 Ca -0.04 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.52 3gu2 n PHE 422 Cb 0.09 -0.52 0.94 0.00 -0.94 0.00 0.00 39.48 39.04 3gu2 n PHE 422 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12