#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cgu s ARG 101 N 0.00 4.31 -0.22 5.55 3.52 -1.26 -4.97 118.95 125.89 3cgu s ARG 101 Ca 0.00 1.98 0.01 0.00 -0.13 0.00 0.00 55.73 57.59 3cgu s ARG 101 Cb 0.00 -3.45 0.03 0.00 -1.56 0.00 0.00 34.95 29.97 3cgu s ARG 101 CO 0.00 -0.50 -0.14 0.42 -0.81 0.00 0.00 175.30 174.27 3cgu s ILE 102 N 1.87 2.31 0.26 4.11 1.01 -1.26 -1.15 121.20 128.35 3cgu s ILE 102 Ca 0.64 -1.14 0.10 0.00 0.00 0.00 0.00 60.65 60.25 3cgu s ILE 102 Cb -0.33 -2.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 3cgu s ILE 102 CO 0.28 0.31 -0.07 -0.76 0.00 0.00 0.00 174.94 174.70 3cgu s LEU 103 N 1.25 3.01 0.05 2.97 2.01 0.10 -4.99 118.68 123.08 3cgu s LEU 103 Ca 0.00 -0.74 0.07 0.00 0.01 0.00 0.00 54.13 53.47 3cgu s LEU 103 Cb -0.16 -1.55 -0.02 0.00 0.01 0.00 0.00 46.19 44.47 3cgu s LEU 103 CO -0.09 0.02 -0.20 -0.31 1.01 0.00 0.00 176.35 176.79 3cgu s TYR 104 N -2.30 1.71 -1.13 0.29 1.51 -1.26 0.79 117.35 116.95 3cgu s TYR 104 Ca 0.30 -0.37 0.29 0.00 -1.01 0.00 0.00 57.07 56.28 3cgu s TYR 104 Cb -0.06 -1.01 1.26 0.00 -0.11 0.00 0.00 41.96 42.04 3cgu s TYR 104 CO 0.18 0.09 1.93 0.00 -1.11 0.00 0.00 175.55 176.63 3cgu n GLN 105 N 1.82 0.13 -3.85 -0.62 10.64 -0.89 -4.76 117.38 119.85 3cgu n GLN 105 Ca -0.17 -0.01 -0.12 0.00 -1.83 0.00 0.00 57.00 54.87 3cgu n GLN 105 Cb 0.54 -1.50 -0.10 0.00 -0.86 0.00 0.00 30.24 28.32 3cgu n GLN 105 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 3cgu s VAL 106 N -2.87 0.07 0.00 -0.39 -7.23 -1.26 -4.83 120.40 103.89 3cgu s VAL 106 Ca 0.18 -0.61 0.00 0.00 -1.81 0.00 0.00 61.98 59.74 3cgu s VAL 106 Cb 0.19 -0.45 0.00 0.00 0.56 0.00 0.00 36.38 36.68 3cgu s VAL 106 CO 0.52 -0.33 0.00 0.61 -0.31 0.00 0.00 175.10 175.59 3cgu n GLY 107 N 1.54 3.03 0.00 2.32 0.00 -1.26 -4.48 105.19 106.34 3cgu n GLY 107 Ca -0.22 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.45 3cgu n GLY 107 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3cgu n ASP 108 N 1.22 0.00 -3.55 1.61 3.85 -1.26 -4.83 116.55 113.59 3cgu n ASP 108 Ca 0.00 -1.00 -0.12 0.00 -0.71 0.00 0.00 54.79 52.96 3cgu n ASP 108 Cb 0.00 0.00 -0.04 0.00 -1.35 0.00 0.00 41.12 39.73 3cgu n ASP 108 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 3cgu s SER 109 N 0.00 0.39 0.51 -1.12 1.04 -1.26 -4.94 113.70 108.32 3cgu s SER 109 Ca 0.00 -1.23 0.33 0.00 0.48 0.00 0.00 55.95 55.53 3cgu s SER 109 Cb 0.00 0.64 1.43 0.00 0.10 0.00 0.00 66.02 68.19 3cgu s SER 109 CO 0.00 -1.26 1.98 -0.33 0.98 0.00 0.00 173.24 174.61 3cgu h GLU 110 N 2.18 0.00 -0.12 4.02 4.39 -1.99 -3.05 114.58 120.01 3cgu h GLU 110 Ca -0.28 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.28 3cgu h GLU 110 Cb 1.25 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.89 3cgu h GLU 110 CO 0.38 0.00 -0.54 1.49 -1.16 0.00 0.00 179.01 179.18 3cgu h GLU 111 N 0.00 0.35 0.00 2.33 4.57 -1.96 -3.15 114.58 116.71 3cgu h GLU 111 Ca 0.00 -0.22 -0.02 0.00 -1.18 0.00 0.00 59.36 57.95 3cgu h GLU 111 Cb 0.41 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.02 3cgu h GLU 111 CO 0.00 0.80 -0.07 -0.44 -1.18 0.00 0.00 179.01 178.12 3cgu h ASP 112 N 0.27 0.00 -3.90 1.04 5.19 -1.84 -3.45 116.42 113.73 3cgu h ASP 112 Ca 0.01 0.00 -0.52 0.00 -0.62 0.00 0.00 57.03 55.89 3cgu h ASP 112 Cb 1.04 0.00 0.07 0.00 0.18 0.00 0.00 39.33 40.61 3cgu h ASP 112 CO 0.09 0.07 0.62 -0.76 -3.12 0.00 0.00 179.24 176.14 3cgu s LEU 113 N -6.31 4.36 0.00 1.55 1.02 -1.19 -4.88 118.68 113.24 3cgu s LEU 113 Ca 0.03 2.64 -0.15 0.00 0.02 0.00 0.00 54.13 56.67 3cgu s LEU 113 Cb 0.08 -3.73 0.21 0.00 0.02 0.00 0.00 46.19 42.76 3cgu s LEU 113 CO 0.62 -0.61 1.19 -0.81 0.02 0.00 0.00 176.35 176.76 3cgu n PRO 114 N 0.60 -1.36 -3.76 1.29 -0.04 -1.26 -4.76 135.00 125.71 3cgu n PRO 114 Ca 0.01 -1.84 -0.35 0.00 -0.04 0.00 0.00 63.50 61.29 3cgu n PRO 114 Cb 0.43 -1.27 -0.05 0.00 -0.04 0.00 0.00 33.50 32.57 3cgu n PRO 114 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3cgu s VAL 115 N -3.55 5.30 0.32 0.52 1.01 -1.26 -1.02 120.40 121.71 3cgu s VAL 115 Ca 0.68 0.16 -0.28 0.00 0.00 0.00 0.00 61.98 62.54 3cgu s VAL 115 Cb -0.02 -3.57 -0.09 0.00 0.00 0.00 0.00 36.38 32.70 3cgu s VAL 115 CO 0.48 0.36 1.08 0.00 0.00 0.00 0.00 175.10 177.02 3cgu s ALA 117 N -1.32 3.21 0.11 0.00 0.00 -1.26 -4.50 121.76 118.00 3cgu s ALA 117 Ca 0.49 -0.62 -0.35 0.00 0.00 0.00 0.00 51.96 51.48 3cgu s ALA 117 Cb -0.29 -2.70 -0.17 0.00 0.00 0.00 0.00 23.12 19.96 3cgu s ALA 117 CO 0.37 -0.88 1.07 -2.30 0.00 0.00 0.00 175.76 174.01 3cgu n PRO 118 N -2.68 0.66 -2.57 0.00 -0.02 -1.26 -2.32 135.00 126.80 3cgu n PRO 118 Ca 0.05 0.24 -0.21 0.00 -2.02 0.00 0.00 63.50 61.56 3cgu n PRO 118 Cb 0.57 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 3cgu n PRO 118 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3cgu n ASN 119 N 1.94 -5.83 -4.90 2.55 3.02 -1.26 -4.88 115.26 105.89 3cgu n ASN 119 Ca 0.17 -0.10 -0.30 0.00 -0.03 0.00 0.00 54.58 54.33 3cgu n ASN 119 Cb 0.19 -4.78 -0.04 0.00 -0.61 0.00 0.00 39.78 34.54 3cgu n ASN 119 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3cgu s ALA 120 N -3.05 3.69 -0.18 5.41 0.00 -0.98 -1.16 121.76 125.49 3cgu s ALA 120 Ca 0.09 -0.55 -0.29 0.00 0.00 0.00 0.00 51.96 51.21 3cgu s ALA 120 Cb -0.04 -2.23 -0.01 0.00 0.00 0.00 0.00 23.12 20.84 3cgu s ALA 120 CO 0.11 0.44 1.27 0.08 0.00 0.00 0.00 175.76 177.67 3cgu s VAL 121 N -1.88 4.26 -0.11 0.00 1.01 -0.59 -4.42 120.40 118.66 3cgu s VAL 121 Ca 0.43 1.51 0.16 0.00 0.00 0.00 0.00 61.98 64.08 3cgu s VAL 121 Cb -0.11 -4.01 -0.16 0.00 0.00 0.00 0.00 36.38 32.10 3cgu s VAL 121 CO 0.27 -0.18 0.75 0.00 0.00 0.00 0.00 175.10 175.94 3cgu s SER 123 N -5.77 -0.28 -0.18 0.00 0.01 -1.22 0.31 113.70 106.57 3cgu s SER 123 Ca -0.04 0.54 -0.02 0.00 1.31 0.00 0.00 55.95 57.74 3cgu s SER 123 Cb 0.09 0.51 -0.01 0.00 0.21 0.00 0.00 66.02 66.82 3cgu s SER 123 CO 0.82 -0.11 -0.08 -0.75 0.41 0.00 0.00 173.24 173.52 3cgu s LYS 124 N 0.44 3.38 -0.17 12.44 2.20 -0.48 -1.21 119.74 136.33 3cgu s LYS 124 Ca -0.02 -0.65 -0.02 0.00 -0.36 0.00 0.00 55.97 54.92 3cgu s LYS 124 Cb -0.04 -2.84 -0.01 0.00 -1.51 0.00 0.00 37.83 33.43 3cgu s LYS 124 CO -0.02 -0.01 -0.10 0.42 -0.36 0.00 0.00 175.35 175.28 3cgu s ILE 125 N 0.96 3.07 -0.16 5.43 1.01 0.07 -0.02 121.20 131.56 3cgu s ILE 125 Ca -0.01 -0.62 -0.07 0.00 0.00 0.00 0.00 60.65 59.95 3cgu s ILE 125 Cb -0.15 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.94 3cgu s ILE 125 CO -0.00 0.48 0.06 -0.62 0.00 0.00 0.00 174.94 174.86 3cgu s ASP 126 N 0.94 5.61 -0.21 3.58 3.68 -0.00 -0.01 116.67 130.26 3cgu s ASP 126 Ca -0.02 0.11 0.12 0.00 2.13 0.00 0.00 52.55 54.89 3cgu s ASP 126 Cb -0.15 -1.91 0.42 0.00 -1.45 0.00 0.00 42.92 39.83 3cgu s ASP 126 CO -0.01 0.22 1.26 0.18 0.13 0.00 0.00 175.17 176.95 3cgu n LEU 127 N 3.24 2.93 -4.82 -1.34 4.77 -0.77 -1.39 117.00 119.62 3cgu n LEU 127 Ca -0.17 -3.79 -0.37 0.00 -0.03 0.00 0.00 56.01 51.65 3cgu n LEU 127 Cb 0.53 -0.54 -0.06 0.00 -2.33 0.00 0.00 43.42 41.01 3cgu n LEU 127 CO 0.34 1.30 -0.07 -0.47 -1.33 0.00 0.00 177.39 177.16 3cgu s TYR 128 N -3.20 3.58 0.00 -1.77 6.14 -1.26 -4.84 117.35 116.00 3cgu s TYR 128 Ca 0.39 0.63 0.00 0.00 0.64 0.00 0.00 57.07 58.73 3cgu s TYR 128 Cb 0.37 -2.14 0.00 0.00 0.42 0.00 0.00 41.96 40.61 3cgu s TYR 128 CO -0.05 0.56 0.00 0.39 0.64 0.00 0.00 175.55 177.09 3cgu n GLU 129 N 2.46 0.00 -3.03 4.97 -0.58 -1.26 -4.39 120.64 118.81 3cgu n GLU 129 Ca -0.16 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.16 3cgu n GLU 129 Cb 0.53 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.35 3cgu n GLU 129 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3cgu s THR 130 N 0.00 4.88 0.14 2.62 2.01 -1.26 -4.99 115.64 119.04 3cgu s THR 130 Ca 0.00 1.05 -0.33 0.00 0.31 0.00 0.00 61.69 62.71 3cgu s THR 130 Cb 0.00 -4.06 -0.13 0.00 0.01 0.00 0.00 72.50 68.32 3cgu s THR 130 CO 0.00 -0.17 1.65 -2.65 -0.69 0.00 0.00 174.62 172.76 3cgu n PRO 131 N 6.01 2.30 -4.17 4.92 -0.02 -1.26 -4.87 135.00 137.91 3cgu n PRO 131 Ca 0.01 0.83 -0.14 0.00 -2.02 0.00 0.00 63.50 62.18 3cgu n PRO 131 Cb 0.48 -2.63 -0.11 0.00 -0.02 0.00 0.00 33.50 31.23 3cgu n PRO 131 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 3cgu s TRP 132 N 1.35 1.03 -0.17 6.00 1.48 -0.49 -4.07 118.94 124.07 3cgu s TRP 132 Ca 0.80 -0.65 0.01 0.00 -1.06 0.00 0.00 56.10 55.20 3cgu s TRP 132 Cb -0.64 -0.57 0.02 0.00 -1.16 0.00 0.00 33.47 31.13 3cgu s TRP 132 CO 0.38 -0.01 -0.18 0.42 -4.06 0.00 0.00 176.95 173.50 3cgu s ILE 133 N -2.36 1.88 -0.32 0.66 1.01 -0.30 -0.82 121.20 120.95 3cgu s ILE 133 Ca 0.04 -0.84 -0.10 0.00 0.00 0.00 0.00 60.65 59.76 3cgu s ILE 133 Cb -0.03 -1.72 -0.00 0.00 0.01 0.00 0.00 42.46 40.71 3cgu s ILE 133 CO -0.00 0.50 0.16 -0.70 0.00 0.00 0.00 174.94 174.90 3cgu s GLU 134 N 1.36 3.24 0.08 2.79 2.12 0.98 0.00 118.70 129.26 3cgu s GLU 134 Ca 0.05 -0.79 -0.31 0.00 0.36 0.00 0.00 54.97 54.28 3cgu s GLU 134 Cb -0.13 -3.59 -0.07 0.00 0.26 0.00 0.00 34.13 30.60 3cgu s GLU 134 CO -0.12 -0.47 1.41 1.03 -0.54 0.00 0.00 175.26 176.57 3cgu s ARG 135 N 1.60 4.30 -0.25 4.30 1.81 0.24 -1.39 118.95 129.56 3cgu s ARG 135 Ca 0.04 2.06 -0.16 0.00 -1.72 0.00 0.00 55.73 55.95 3cgu s ARG 135 Cb -0.17 -3.37 -0.12 0.00 -0.45 0.00 0.00 34.95 30.83 3cgu s ARG 135 CO 0.06 -0.49 -0.25 1.04 -0.68 0.00 0.00 175.30 174.98 3cgu n GLN 136 N 4.47 0.58 -3.52 3.54 1.13 0.15 -2.10 117.38 121.63 3cgu n GLN 136 Ca 0.12 0.32 -0.10 0.00 -1.94 0.00 0.00 57.00 55.40 3cgu n GLN 136 Cb 0.43 -1.54 -0.02 0.00 0.11 0.00 0.00 30.24 29.22 3cgu n GLN 136 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3cgu s ARG 138 N -3.55 4.32 0.36 0.00 0.52 -0.19 -4.73 118.95 115.68 3cgu s ARG 138 Ca 0.04 0.54 -0.28 0.00 -0.52 0.00 0.00 55.73 55.51 3cgu s ARG 138 Cb -0.02 -3.47 -0.11 0.00 0.52 0.00 0.00 34.95 31.87 3cgu s ARG 138 CO -0.08 0.05 1.44 0.00 0.02 0.00 0.00 175.30 176.73 3cgu s PRO 140 N -1.94 3.17 1.17 0.00 0.04 -1.26 -4.67 135.00 131.50 3cgu s PRO 140 Ca 0.52 1.21 -0.17 0.00 0.04 0.00 0.00 61.00 62.60 3cgu s PRO 140 Cb -0.45 -4.24 0.19 0.00 0.04 0.00 0.00 34.50 30.05 3cgu s PRO 140 CO 0.60 -2.06 0.37 -0.25 0.04 0.00 0.00 177.00 175.69 3cgu n ASP 141 N 10.87 -2.60 -4.14 6.66 10.43 -1.26 -4.07 116.55 132.43 3cgu n ASP 141 Ca 0.22 -0.29 -0.43 0.00 2.57 0.00 0.00 54.79 56.87 3cgu n ASP 141 Cb 0.48 -0.99 0.00 0.00 1.84 0.00 0.00 41.12 42.46 3cgu n ASP 141 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3cgu n GLY 142 N 1.89 3.90 3.09 0.44 0.00 -1.26 -5.12 105.19 108.13 3cgu n GLY 142 Ca 0.03 -1.86 -0.08 0.00 0.00 0.00 0.00 46.02 44.11 3cgu n GLY 142 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cgu s ARG 143 N 1.95 0.59 0.05 1.61 0.52 -1.26 -5.16 118.95 117.25 3cgu s ARG 143 Ca 0.45 -0.98 0.07 0.00 -0.52 0.00 0.00 55.73 54.74 3cgu s ARG 143 Cb 0.06 0.22 -0.03 0.00 0.52 0.00 0.00 34.95 35.72 3cgu s ARG 143 CO -0.00 -0.13 -0.20 -0.08 0.02 0.00 0.00 175.30 174.91 3cgu s THR 144 N -3.23 1.62 -0.25 0.02 -1.32 -1.26 -4.54 115.64 106.67 3cgu s THR 144 Ca 0.00 -1.25 -0.29 0.00 -1.21 0.00 0.00 61.69 58.95 3cgu s THR 144 Cb 0.03 -1.43 -0.01 0.00 -1.51 0.00 0.00 72.50 69.58 3cgu s THR 144 CO -0.07 0.13 1.38 0.00 -2.21 0.00 0.00 174.62 173.85 3cgu n PRO 261 N 7.27 0.70 0.00 0.00 -0.02 -1.26 -4.99 135.00 136.70 3cgu n PRO 261 Ca 0.16 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3cgu n PRO 261 Cb 0.46 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 3cgu n PRO 261 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3cgu n SER 262 N 0.21 0.24 -4.76 2.55 7.64 -1.26 -4.90 113.62 113.33 3cgu n SER 262 Ca 0.12 -0.76 -0.40 0.00 1.01 0.00 0.00 58.87 58.84 3cgu n SER 262 Cb 0.46 0.09 0.02 0.00 -1.01 0.00 0.00 64.21 63.77 3cgu n SER 262 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3cgu n SER 263 N -0.09 3.28 -0.01 6.43 3.41 -1.26 -4.89 113.62 120.49 3cgu n SER 263 Ca 0.00 1.11 0.15 0.00 -0.26 0.00 0.00 58.87 59.86 3cgu n SER 263 Cb 0.12 -1.60 0.70 0.00 -0.26 0.00 0.00 64.21 63.17 3cgu n SER 263 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3cgu n LEU 264 N -0.26 0.04 0.00 1.04 4.77 -1.26 -4.85 117.00 116.47 3cgu n LEU 264 Ca 0.06 0.32 -0.07 0.00 -0.03 0.00 0.00 56.01 56.29 3cgu n LEU 264 Cb 0.42 -0.34 0.03 0.00 -2.33 0.00 0.00 43.42 41.20 3cgu n LEU 264 CO 0.59 0.01 0.15 0.61 -1.33 0.00 0.00 177.39 177.42 3cgu n GLY 265 N 1.35 1.48 0.46 -0.72 0.00 -1.26 -5.05 105.19 101.46 3cgu n GLY 265 Ca 0.12 -2.09 0.07 0.00 0.00 0.00 0.00 46.02 44.12 3cgu n GLY 265 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3cgu n VAL 266 N -1.61 1.73 0.26 1.61 0.24 -1.26 -4.73 118.33 114.57 3cgu n VAL 266 Ca 0.06 -2.43 0.11 0.00 -2.04 0.00 0.00 64.34 60.04 3cgu n VAL 266 Cb 0.21 -0.08 -0.10 0.00 -1.47 0.00 0.00 33.84 32.40 3cgu n VAL 266 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3cgu n GLU 267 N -1.02 0.49 0.00 7.34 -0.58 -1.26 -4.27 120.64 121.34 3cgu n GLU 267 Ca 0.15 -0.09 0.08 0.00 -0.42 0.00 0.00 57.16 56.89 3cgu n GLU 267 Cb 0.71 -1.58 0.43 0.00 -0.57 0.00 0.00 31.44 30.44 3cgu n GLU 267 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3cgu n ASP 268 N -2.16 0.00 0.00 1.62 3.85 -1.26 -4.87 116.55 113.73 3cgu n ASP 268 Ca -0.01 -0.16 0.00 0.00 -0.71 0.00 0.00 54.79 53.91 3cgu n ASP 268 Cb 0.51 -0.18 0.00 0.00 -1.35 0.00 0.00 41.12 40.10 3cgu n ASP 268 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3cgu n GLY 269 N 0.05 0.83 0.85 6.12 0.00 -1.26 -4.85 105.19 106.92 3cgu n GLY 269 Ca 0.09 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.19 3cgu n GLY 269 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3cgu n HIS 270 N -2.00 0.60 -4.68 1.61 8.25 -1.26 -1.54 115.22 116.20 3cgu n HIS 270 Ca 0.00 -0.48 -0.33 0.00 -0.26 0.00 0.00 57.72 56.64 3cgu n HIS 270 Cb 0.00 -0.02 -0.12 0.00 1.12 0.00 0.00 29.99 30.97 3cgu n HIS 270 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3cgu s THR 271 N -1.01 3.48 -0.21 1.59 2.01 -1.26 -0.78 115.64 119.45 3cgu s THR 271 Ca 0.31 -0.55 -0.04 0.00 0.31 0.00 0.00 61.69 61.72 3cgu s THR 271 Cb 0.16 -2.43 -0.01 0.00 0.01 0.00 0.00 72.50 70.23 3cgu s THR 271 CO 0.21 0.57 -0.04 -0.63 -0.69 0.00 0.00 174.62 174.04 3cgu s ILE 272 N -0.44 3.50 -0.17 1.82 1.01 0.33 -4.95 121.20 122.31 3cgu s ILE 272 Ca 0.06 -0.46 -0.13 0.00 0.00 0.00 0.00 60.65 60.12 3cgu s ILE 272 Cb -0.12 -2.58 -0.05 0.00 0.01 0.00 0.00 42.46 39.72 3cgu s ILE 272 CO 0.02 0.43 0.26 0.00 0.00 0.00 0.00 174.94 175.65 3cgu s ALA 273 N 1.29 3.61 -0.19 9.38 0.00 -1.26 -0.18 121.76 134.41 3cgu s ALA 273 Ca 0.03 -0.51 -0.04 0.00 0.00 0.00 0.00 51.96 51.44 3cgu s ALA 273 Cb -0.14 -2.34 0.08 0.00 0.00 0.00 0.00 23.12 20.71 3cgu s ALA 273 CO -0.01 0.10 0.17 0.34 0.00 0.00 0.00 175.76 176.35 3cgu s ASP 274 N 0.46 1.81 0.93 0.00 2.15 0.90 -5.01 116.67 117.92 3cgu s ASP 274 Ca 0.14 -0.41 0.00 0.00 0.43 0.00 0.00 52.55 52.72 3cgu s ASP 274 Cb -0.12 0.11 0.00 0.00 -0.30 0.00 0.00 42.92 42.61 3cgu s ASP 274 CO 0.02 -0.34 0.00 0.29 -0.17 0.00 0.00 175.17 174.98 3cgu n LYS 275 N 5.30 0.00 0.00 4.34 5.02 -1.26 -0.60 118.16 130.96 3cgu n LYS 275 Ca -0.06 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.38 3cgu n LYS 275 Cb 0.49 0.00 0.78 0.00 -0.02 0.00 0.00 35.03 36.28 3cgu n LYS 275 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 3cgu n THR 276 N 0.00 0.02 -4.25 -0.18 5.66 -1.26 -4.90 114.28 109.37 3cgu n THR 276 Ca 0.00 0.01 -0.21 0.00 -3.05 0.00 0.00 64.05 60.80 3cgu n THR 276 Cb 0.00 -0.52 -0.12 0.00 -1.55 0.00 0.00 70.33 68.14 3cgu n THR 276 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 3cgu s ARG 277 N -2.44 1.04 -0.08 1.09 0.52 0.23 -1.85 118.95 117.45 3cgu s ARG 277 Ca 0.32 -1.16 0.02 0.00 -0.52 0.00 0.00 55.73 54.39 3cgu s ARG 277 Cb 0.20 -1.12 -0.02 0.00 0.52 0.00 0.00 34.95 34.53 3cgu s ARG 277 CO 0.43 0.24 -0.15 -1.01 0.02 0.00 0.00 175.30 174.84 3cgu s HIS 278 N -1.54 2.73 -0.17 -0.53 3.76 0.99 -0.07 115.29 120.46 3cgu s HIS 278 Ca 0.06 -0.41 -0.03 0.00 -0.15 0.00 0.00 55.06 54.53 3cgu s HIS 278 Cb -0.08 -1.72 -0.02 0.00 1.11 0.00 0.00 32.58 31.87 3cgu s HIS 278 CO 0.04 -0.01 -0.06 0.71 -0.85 0.00 0.00 174.74 174.56 3cgu s TYR 279 N -0.23 2.95 -0.15 1.40 1.51 0.75 -0.75 117.35 122.84 3cgu s TYR 279 Ca 0.01 -0.54 -0.06 0.00 -1.01 0.00 0.00 57.07 55.46 3cgu s TYR 279 Cb -0.13 -1.97 -0.04 0.00 -0.11 0.00 0.00 41.96 39.71 3cgu s TYR 279 CO 0.03 -0.21 0.08 0.15 -1.11 0.00 0.00 175.55 174.49 3cgu s LYS 280 N 0.64 3.64 0.23 -0.62 -0.14 -0.35 -0.51 119.74 122.63 3cgu s LYS 280 Ca -0.04 -0.28 0.11 0.00 -1.36 0.00 0.00 55.97 54.41 3cgu s LYS 280 Cb -0.15 -3.14 -0.05 0.00 -1.68 0.00 0.00 37.83 32.81 3cgu s LYS 280 CO 0.02 0.52 -0.22 -1.64 -0.76 0.00 0.00 175.35 173.27 3cgu s MET 281 N -0.31 1.57 0.07 1.68 -1.94 0.04 -0.65 119.30 119.76 3cgu s MET 281 Ca 0.09 -1.63 -0.16 0.00 -1.71 0.00 0.00 55.69 52.29 3cgu s MET 281 Cb -0.12 -1.76 -0.15 0.00 2.01 0.00 0.00 34.83 34.81 3cgu s MET 281 CO 0.01 0.35 1.29 0.00 -0.01 0.00 0.00 175.02 176.67 3cgu s GLN 283 N -3.84 2.87 0.60 0.00 -0.21 -1.26 -4.94 119.66 112.88 3cgu s GLN 283 Ca -0.12 -0.88 -0.19 0.00 0.02 0.00 0.00 55.36 54.19 3cgu s GLN 283 Cb 0.07 -2.63 -0.04 0.00 1.00 0.00 0.00 33.01 31.41 3cgu s GLN 283 CO 0.85 0.49 1.14 -2.30 -2.12 0.00 0.00 175.29 173.35 3cgu n PRO 284 N -0.30 1.12 0.23 2.91 -0.02 -1.26 -4.81 135.00 132.88 3cgu n PRO 284 Ca -0.08 0.43 0.12 0.00 -2.02 0.00 0.00 63.50 61.94 3cgu n PRO 284 Cb 0.55 -2.35 0.46 0.00 -0.02 0.00 0.00 33.50 32.14 3cgu n PRO 284 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 3cgu h VAL 285 N 0.71 0.36 0.00 -1.45 -1.51 -1.60 -3.04 116.25 109.72 3cgu h VAL 285 Ca -0.49 -1.01 -0.02 0.00 -1.23 0.00 0.00 66.70 63.95 3cgu h VAL 285 Cb 1.34 1.76 -0.00 0.00 -2.13 0.00 0.00 31.29 32.27 3cgu h VAL 285 CO 0.53 0.15 -0.09 0.45 -1.23 0.00 0.00 177.57 177.38 3cgu h HIS 286 N 0.00 0.00 0.00 5.19 3.86 -1.91 -1.27 115.15 121.02 3cgu h HIS 286 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3cgu h HIS 286 Cb 0.75 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.22 3cgu h HIS 286 CO 0.00 0.09 0.00 1.63 0.86 0.00 0.00 177.93 180.51 3cgu n LYS 287 N -3.51 0.11 -4.20 2.45 4.76 -1.15 -4.58 118.16 112.04 3cgu n LYS 287 Ca -0.02 0.23 -0.34 0.00 -2.87 0.00 0.00 58.31 55.30 3cgu n LYS 287 Cb 0.22 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 31.81 3cgu n LYS 287 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3cgu s LEU 288 N -2.64 3.62 0.90 -0.35 1.43 -0.48 -5.09 118.68 116.07 3cgu s LEU 288 Ca 0.08 0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 53.11 3cgu s LEU 288 Cb 0.06 -1.88 0.08 0.00 0.03 0.00 0.00 46.19 44.48 3cgu s LEU 288 CO 0.14 0.23 0.81 -0.81 0.23 0.00 0.00 176.35 176.95 3cgu n PRO 289 N 3.18 -0.24 -3.58 1.29 -0.04 -1.26 -4.68 135.00 129.66 3cgu n PRO 289 Ca -0.17 -0.01 -0.36 0.00 -0.04 0.00 0.00 63.50 62.91 3cgu n PRO 289 Cb 0.53 -2.14 -0.08 0.00 -0.04 0.00 0.00 33.50 31.77 3cgu n PRO 289 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3cgu s VAL 290 N -2.41 5.33 0.19 0.52 1.01 -1.26 -1.73 120.40 122.05 3cgu s VAL 290 Ca 0.64 0.44 -0.31 0.00 0.00 0.00 0.00 61.98 62.76 3cgu s VAL 290 Cb -0.24 -3.59 -0.09 0.00 0.00 0.00 0.00 36.38 32.46 3cgu s VAL 290 CO 0.61 0.38 1.40 0.00 0.00 0.00 0.00 175.10 177.49 3cgu n LYS 292 N 3.03 0.08 -1.89 0.00 4.81 -1.26 -4.69 118.16 118.24 3cgu n LYS 292 Ca 0.09 0.03 -0.39 0.00 -0.87 0.00 0.00 58.31 57.16 3cgu n LYS 292 Cb 0.41 -0.73 0.01 0.00 0.02 0.00 0.00 35.03 34.74 3cgu n LYS 292 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 3cgu s HIS 293 N -2.07 2.56 -0.02 5.64 3.76 -1.26 -4.93 115.29 118.98 3cgu s HIS 293 Ca -0.05 1.33 -0.30 0.00 -0.15 0.00 0.00 55.06 55.89 3cgu s HIS 293 Cb 0.02 -3.82 -0.03 0.00 1.11 0.00 0.00 32.58 29.86 3cgu s HIS 293 CO 0.07 -2.63 1.05 -0.59 -0.85 0.00 0.00 174.74 171.79 3cgu s PHE 294 N -1.24 3.53 -0.85 1.40 -0.12 -1.26 -2.91 117.98 116.53 3cgu s PHE 294 Ca 0.61 1.55 -0.01 0.00 -0.05 0.00 0.00 56.93 59.03 3cgu s PHE 294 Cb -0.41 -3.22 0.00 0.00 -0.63 0.00 0.00 43.02 38.76 3cgu s PHE 294 CO 0.52 -0.43 0.18 0.54 -0.05 0.00 0.00 175.22 175.98 3cgu n ARG 295 N 4.32 -1.79 -2.47 1.99 3.00 -1.26 -5.02 116.66 115.44 3cgu n ARG 295 Ca 0.08 0.49 -0.41 0.00 -0.01 0.00 0.00 57.85 57.99 3cgu n ARG 295 Cb 0.49 -4.50 -0.03 0.00 0.00 0.00 0.00 32.46 28.42 3cgu n ARG 295 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3cgu s ASP 296 N -2.70 7.17 -0.40 0.55 1.01 -1.14 -5.00 116.67 116.16 3cgu s ASP 296 Ca 0.09 2.07 -0.29 0.00 0.71 0.00 0.00 52.55 55.13 3cgu s ASP 296 Cb -0.04 -2.59 0.02 0.00 1.01 0.00 0.00 42.92 41.32 3cgu s ASP 296 CO 0.11 -0.34 1.21 -0.31 0.21 0.00 0.00 175.17 176.05 3cgu s TYR 297 N 0.30 2.78 0.19 4.23 4.12 -1.26 -4.50 117.35 123.21 3cgu s TYR 297 Ca 0.53 0.84 -0.10 0.00 0.02 0.00 0.00 57.07 58.36 3cgu s TYR 297 Cb -0.30 -4.16 0.10 0.00 -1.52 0.00 0.00 41.96 36.08 3cgu s TYR 297 CO 0.33 -1.39 1.71 0.00 0.02 0.00 0.00 175.55 176.22 3cgu h THR 298 N 6.12 1.26 -3.23 -0.71 1.03 -1.49 -3.40 112.91 112.48 3cgu h THR 298 Ca -0.24 -0.93 -0.01 0.00 -0.01 0.00 0.00 66.41 65.22 3cgu h THR 298 Cb 1.08 0.58 -0.10 0.00 -1.07 0.00 0.00 68.15 68.64 3cgu h THR 298 CO 1.08 0.35 0.08 -1.66 -0.01 0.00 0.00 175.52 175.36 3cgu s TRP 299 N -5.34 -0.18 -0.09 0.00 -2.14 -1.25 0.63 118.94 110.58 3cgu s TRP 299 Ca -0.12 -0.16 0.02 0.00 2.66 0.00 0.00 56.10 58.50 3cgu s TRP 299 Cb 0.14 0.45 0.01 0.00 -3.10 0.00 0.00 33.47 30.97 3cgu s TRP 299 CO 0.83 -0.95 -0.15 0.95 -2.66 0.00 0.00 176.95 174.98 3cgu s THR 300 N -3.86 1.40 -0.31 0.66 -4.23 -0.63 -2.42 115.64 106.24 3cgu s THR 300 Ca 0.08 -0.61 -0.12 0.00 -1.18 0.00 0.00 61.69 59.87 3cgu s THR 300 Cb -0.02 -1.27 -0.03 0.00 1.34 0.00 0.00 72.50 72.52 3cgu s THR 300 CO -0.03 0.42 0.23 -0.22 -0.54 0.00 0.00 174.62 174.48 3cgu s LEU 301 N 0.81 4.29 -0.13 4.79 0.20 -0.27 -1.97 118.68 126.39 3cgu s LEU 301 Ca -0.11 -0.21 -0.03 0.00 0.69 0.00 0.00 54.13 54.47 3cgu s LEU 301 Cb -0.16 -2.16 -0.03 0.00 -0.43 0.00 0.00 46.19 43.42 3cgu s LEU 301 CO 0.02 -0.16 -0.01 -0.89 -0.29 0.00 0.00 176.35 175.01 3cgu s THR 302 N 1.77 4.17 -0.11 3.68 2.01 -0.20 0.10 115.64 127.05 3cgu s THR 302 Ca 0.07 -0.28 -0.01 0.00 0.31 0.00 0.00 61.69 61.79 3cgu s THR 302 Cb -0.17 -2.80 0.03 0.00 0.01 0.00 0.00 72.50 69.57 3cgu s THR 302 CO 0.11 0.53 -0.06 0.28 -0.69 0.00 0.00 174.62 174.79 3cgu s THR 303 N -0.13 0.93 0.34 -0.82 -1.32 -0.92 -1.75 115.64 111.97 3cgu s THR 303 Ca 0.04 -0.25 0.02 0.00 -1.21 0.00 0.00 61.69 60.29 3cgu s THR 303 Cb -0.13 -0.98 -0.02 0.00 -1.51 0.00 0.00 72.50 69.86 3cgu s THR 303 CO 0.02 0.33 0.52 0.00 -2.21 0.00 0.00 174.62 173.28 3cgu s ALA 304 N 1.75 3.83 -0.10 11.08 0.00 -1.26 -2.99 121.76 134.06 3cgu s ALA 304 Ca 0.05 -1.08 -0.19 0.00 0.00 0.00 0.00 51.96 50.74 3cgu s ALA 304 Cb -0.13 -1.98 -0.16 0.00 0.00 0.00 0.00 23.12 20.86 3cgu s ALA 304 CO -0.08 -0.03 0.59 0.00 0.00 0.00 0.00 175.76 176.24 3cgu h ALA 305 N 0.79 -0.06 0.00 0.00 0.00 -1.41 -3.35 119.26 115.23 3cgu h ALA 305 Ca -0.49 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.06 3cgu h ALA 305 Cb 1.23 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3cgu h ALA 305 CO 0.59 -0.09 -0.38 0.93 0.00 0.00 0.00 179.25 180.31 3cgu h GLU 306 N -0.95 0.00 -6.59 0.00 5.08 -1.97 -3.46 114.58 106.69 3cgu h GLU 306 Ca -0.01 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.84 3cgu h GLU 306 Cb 0.57 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 3cgu h GLU 306 CO 0.01 0.38 0.26 -0.51 -1.00 0.00 0.00 179.01 178.15 3cgu s LEU 307 N -6.67 4.60 0.00 1.33 1.43 -1.26 -4.94 118.68 113.17 3cgu s LEU 307 Ca 0.02 1.76 0.00 0.00 -1.03 0.00 0.00 54.13 54.88 3cgu s LEU 307 Cb 0.09 -3.43 0.00 0.00 0.03 0.00 0.00 46.19 42.88 3cgu s LEU 307 CO 0.70 0.15 0.88 -0.46 0.23 0.00 0.00 176.35 177.85 3cgu n ASN 308 N 1.76 0.16 -3.80 2.29 0.23 -1.26 -4.74 115.26 109.89 3cgu n ASN 308 Ca -0.03 -1.91 -0.09 0.00 -0.53 0.00 0.00 54.58 52.01 3cgu n ASN 308 Cb 0.48 -0.08 -0.06 0.00 -2.08 0.00 0.00 39.78 38.04 3cgu n ASN 308 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3cgu s VAL 309 N -1.84 0.10 0.26 3.53 0.11 -1.26 -4.67 120.40 116.63 3cgu s VAL 309 Ca 0.00 -1.01 0.11 0.00 -2.93 0.00 0.00 61.98 58.15 3cgu s VAL 309 Cb 0.00 -1.38 -0.05 0.00 -1.53 0.00 0.00 36.38 33.42 3cgu s VAL 309 CO 0.00 -0.47 -0.18 0.42 -3.33 0.00 0.00 175.10 171.54 3cgu s THR 310 N -3.86 2.24 -0.05 5.04 -4.23 -1.26 -4.28 115.64 109.23 3cgu s THR 310 Ca 0.06 -2.34 0.02 0.00 -1.18 0.00 0.00 61.69 58.25 3cgu s THR 310 Cb 0.03 -2.23 0.01 0.00 1.34 0.00 0.00 72.50 71.65 3cgu s THR 310 CO -0.09 -0.45 -0.11 -1.61 -0.54 0.00 0.00 174.62 171.82 3cgu s GLU 311 N -3.56 1.43 -0.29 3.99 2.02 -0.72 -5.01 118.70 116.57 3cgu s GLU 311 Ca 0.28 -0.36 -0.04 0.00 0.02 0.00 0.00 54.97 54.87 3cgu s GLU 311 Cb -0.03 -1.23 0.03 0.00 0.10 0.00 0.00 34.13 32.99 3cgu s GLU 311 CO 0.13 0.04 0.02 -1.14 0.02 0.00 0.00 175.26 174.33 3cgu s GLN 312 N 0.58 2.73 -0.19 1.61 0.74 -1.26 -1.03 119.66 122.83 3cgu s GLN 312 Ca -0.12 -1.08 -0.09 0.00 0.05 0.00 0.00 55.36 54.13 3cgu s GLN 312 Cb -0.14 -3.22 -0.05 0.00 1.10 0.00 0.00 33.01 30.70 3cgu s GLN 312 CO 0.03 -0.53 0.11 0.42 -0.55 0.00 0.00 175.29 174.76 3cgu s ILE 313 N 1.36 5.20 -0.18 -2.34 -1.09 -0.83 -1.54 121.20 121.77 3cgu s ILE 313 Ca -0.01 0.11 -0.15 0.00 -2.23 0.00 0.00 60.65 58.37 3cgu s ILE 313 Cb -0.18 -3.36 -0.04 0.00 -1.58 0.00 0.00 42.46 37.29 3cgu s ILE 313 CO -0.00 0.45 0.36 -0.69 -1.23 0.00 0.00 174.94 173.82 3cgu s VAL 314 N 0.37 5.25 -0.05 2.92 1.01 -0.31 -1.60 120.40 127.99 3cgu s VAL 314 Ca 0.06 0.65 0.16 0.00 0.00 0.00 0.00 61.98 62.85 3cgu s VAL 314 Cb -0.11 -3.69 -0.23 0.00 0.00 0.00 0.00 36.38 32.34 3cgu s VAL 314 CO -0.01 0.31 0.28 1.41 0.00 0.00 0.00 175.10 177.09 3cgu n HIS 315 N 4.06 0.00 -3.71 5.22 8.25 0.20 -4.91 115.22 124.34 3cgu n HIS 315 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 3cgu n HIS 315 Cb 0.51 -0.46 -0.00 0.00 1.12 0.00 0.00 29.99 31.16 3cgu n HIS 315 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3cgu s ARG 317 N -2.57 2.92 0.48 0.00 0.52 -0.70 -4.76 118.95 114.84 3cgu s ARG 317 Ca 0.16 -0.55 -0.21 0.00 -0.52 0.00 0.00 55.73 54.61 3cgu s ARG 317 Cb 0.02 -2.64 -0.08 0.00 0.52 0.00 0.00 34.95 32.78 3cgu s ARG 317 CO -0.01 0.57 1.06 0.00 0.02 0.00 0.00 175.30 176.94 3cgu s PRO 319 N -3.13 1.95 0.46 0.00 0.04 -1.26 -4.92 135.00 128.14 3cgu s PRO 319 Ca 0.67 1.22 -0.21 0.00 0.04 0.00 0.00 61.00 62.72 3cgu s PRO 319 Cb -0.19 -1.86 -0.13 0.00 0.04 0.00 0.00 34.50 32.37 3cgu s PRO 319 CO 0.23 -1.87 0.37 2.89 0.04 0.00 0.00 177.00 178.65 3cgu n ARG 320 N -3.68 0.37 0.00 4.56 -4.01 -1.26 -2.18 116.66 110.46 3cgu n ARG 320 Ca 0.09 0.14 0.00 0.00 -1.04 0.00 0.00 57.85 57.04 3cgu n ARG 320 Cb 0.53 -1.38 0.00 0.00 -3.04 0.00 0.00 32.46 28.57 3cgu n ARG 320 CO 0.00 0.00 0.00 0.27 -3.04 0.00 0.00 177.63 174.86 3cgu n ASN 321 N 1.49 0.00 -4.77 2.89 2.04 -1.26 -4.91 115.26 110.74 3cgu n ASN 321 Ca 0.11 0.00 -0.41 0.00 -0.44 0.00 0.00 54.58 53.84 3cgu n ASN 321 Cb 0.42 -0.23 0.00 0.00 -2.53 0.00 0.00 39.78 37.44 3cgu n ASN 321 CO 0.00 0.00 0.00 -0.24 -0.44 0.00 0.00 177.26 176.58 3cgu n SER 322 N 0.00 3.66 -4.54 0.53 2.88 -0.93 -5.00 113.62 110.22 3cgu n SER 322 Ca 0.00 1.20 -0.26 0.00 -1.33 0.00 0.00 58.87 58.48 3cgu n SER 322 Cb 0.00 -1.61 -0.10 0.00 -0.75 0.00 0.00 64.21 61.75 3cgu n SER 322 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3cgu s VAL 323 N -1.13 3.01 0.39 2.46 0.11 -1.26 -4.83 120.40 119.15 3cgu s VAL 323 Ca 0.55 -1.78 -0.05 0.00 -2.93 0.00 0.00 61.98 57.77 3cgu s VAL 323 Cb -0.47 -2.50 -0.04 0.00 -1.53 0.00 0.00 36.38 31.84 3cgu s VAL 323 CO 0.62 -0.14 0.68 0.42 -3.33 0.00 0.00 175.10 173.35 3cgu s THR 324 N -1.77 4.95 0.03 5.04 -4.23 -1.26 0.08 115.64 118.48 3cgu s THR 324 Ca 0.25 0.11 -0.14 0.00 -1.18 0.00 0.00 61.69 60.73 3cgu s THR 324 Cb -0.08 -3.81 0.02 0.00 1.34 0.00 0.00 72.50 69.97 3cgu s THR 324 CO 0.14 -0.60 0.30 -0.72 -0.54 0.00 0.00 174.62 173.20 3cgu s TYR 325 N -2.43 -0.11 0.18 3.99 -0.85 -0.54 -4.90 117.35 112.70 3cgu s TYR 325 Ca 0.46 0.02 -0.30 0.00 -0.52 0.00 0.00 57.07 56.72 3cgu s TYR 325 Cb -0.10 0.08 -0.08 0.00 0.38 0.00 0.00 41.96 42.24 3cgu s TYR 325 CO 0.37 -0.47 1.19 -1.17 -1.52 0.00 0.00 175.55 173.95 3cgu s LEU 326 N -1.89 4.45 0.00 -3.49 0.20 -1.26 -1.24 118.68 115.45 3cgu s LEU 326 Ca -0.07 2.22 0.00 0.00 0.69 0.00 0.00 54.13 56.97 3cgu s LEU 326 Cb -0.02 -3.61 0.00 0.00 -0.43 0.00 0.00 46.19 42.13 3cgu s LEU 326 CO -0.02 -0.36 0.00 1.07 -0.29 0.00 0.00 176.35 176.76 3cgu n THR 327 N 2.50 0.00 -4.12 3.68 5.66 0.49 -4.92 114.28 117.57 3cgu n THR 327 Ca 0.04 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.96 3cgu n THR 327 Cb 0.45 -0.97 -0.10 0.00 -1.55 0.00 0.00 70.33 68.16 3cgu n THR 327 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 3cgu s LYS 328 N -1.92 0.74 -0.22 1.09 2.20 -1.17 -4.91 119.74 115.55 3cgu s LYS 328 Ca 0.00 -1.31 -0.04 0.00 -0.36 0.00 0.00 55.97 54.26 3cgu s LYS 328 Cb 0.00 0.18 0.08 0.00 -1.51 0.00 0.00 37.83 36.58 3cgu s LYS 328 CO 0.00 -0.15 0.09 0.50 -0.36 0.00 0.00 175.35 175.43 3cgu s ARG 329 N -3.96 0.28 0.14 4.03 3.52 -1.26 -0.50 118.95 121.20 3cgu s ARG 329 Ca 0.13 -0.37 0.10 0.00 -0.13 0.00 0.00 55.73 55.46 3cgu s ARG 329 Cb 0.08 -1.70 -0.04 0.00 -1.56 0.00 0.00 34.95 31.72 3cgu s ARG 329 CO -0.05 -0.80 -0.20 -1.83 -0.81 0.00 0.00 175.30 171.61 3cgu s GLU 330 N 2.03 1.67 0.49 5.12 -1.05 -0.87 -4.93 118.70 121.16 3cgu s GLU 330 Ca 0.04 -1.28 -0.23 0.00 -0.15 0.00 0.00 54.97 53.36 3cgu s GLU 330 Cb -0.16 -2.02 -0.06 0.00 -0.44 0.00 0.00 34.13 31.44 3cgu s GLU 330 CO -0.19 0.46 1.25 -2.14 0.95 0.00 0.00 175.26 175.59 3cgu s PRO 331 N -2.26 3.51 0.42 -4.83 0.02 -1.26 -1.51 135.00 129.10 3cgu s PRO 331 Ca 0.18 1.99 0.23 0.00 0.02 0.00 0.00 61.00 63.42 3cgu s PRO 331 Cb -0.10 -2.37 0.57 0.00 0.02 0.00 0.00 34.50 32.63 3cgu s PRO 331 CO 0.09 -0.81 1.68 0.97 -0.33 0.00 0.00 177.00 178.60 3cgu h ILE 332 N 1.73 0.30 -2.00 2.83 2.10 -1.83 -3.45 117.51 117.19 3cgu h ILE 332 Ca -0.50 -1.21 0.22 0.00 1.08 0.00 0.00 64.86 64.45 3cgu h ILE 332 Cb 1.27 1.96 -0.09 0.00 -1.09 0.00 0.00 36.82 38.87 3cgu h ILE 332 CO 0.59 0.15 -0.55 0.61 -1.08 0.00 0.00 178.15 177.88 3cgu n GLY 333 N 0.76 -2.39 7.00 8.18 0.00 -1.26 -4.96 105.19 112.52 3cgu n GLY 333 Ca 0.02 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.78 3cgu n GLY 333 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cgu n ASN 334 N -3.57 0.00 0.01 1.61 5.03 -1.26 -3.85 115.26 113.23 3cgu n ASN 334 Ca -0.02 0.00 0.11 0.00 0.87 0.00 0.00 54.58 55.53 3cgu n ASN 334 Cb 0.40 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 39.08 3cgu n ASN 334 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 3cgu n ASP 335 N 7.75 0.51 -4.35 6.41 3.85 -1.26 -4.85 116.55 124.62 3cgu n ASP 335 Ca 0.00 -0.32 -0.33 0.00 -0.71 0.00 0.00 54.79 53.42 3cgu n ASP 335 Cb 0.00 1.25 -0.14 0.00 -1.35 0.00 0.00 41.12 40.88 3cgu n ASP 335 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 3cgu s SER 336 N -3.94 4.09 0.23 -1.12 1.04 -1.25 -5.11 113.70 107.63 3cgu s SER 336 Ca 0.01 -0.34 -0.23 0.00 0.48 0.00 0.00 55.95 55.86 3cgu s SER 336 Cb 0.14 -1.65 -0.09 0.00 0.10 0.00 0.00 66.02 64.53 3cgu s SER 336 CO 0.86 0.12 0.80 -2.16 0.98 0.00 0.00 173.24 173.83 3cgu s PRO 337 N 0.65 4.44 0.00 4.02 0.05 -1.26 -4.29 135.00 138.60 3cgu s PRO 337 Ca -0.06 1.08 0.00 0.00 0.05 0.00 0.00 61.00 62.07 3cgu s PRO 337 Cb -0.15 -2.98 0.00 0.00 0.05 0.00 0.00 34.50 31.41 3cgu s PRO 337 CO 0.03 0.42 0.00 0.41 0.05 0.00 0.00 177.00 177.91 3cgu n GLY 338 N 0.96 -0.64 3.56 0.56 0.00 -1.26 -0.92 105.19 107.45 3cgu n GLY 338 Ca -0.02 -1.60 -0.26 0.00 0.00 0.00 0.00 46.02 44.14 3cgu n GLY 338 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3cgu s TYR 339 N -1.97 2.10 -0.10 1.61 1.51 -1.16 -3.08 117.35 116.25 3cgu s TYR 339 Ca 0.00 -0.91 -0.01 0.00 -1.01 0.00 0.00 57.07 55.14 3cgu s TYR 339 Cb 0.00 -1.47 0.03 0.00 -0.11 0.00 0.00 41.96 40.41 3cgu s TYR 339 CO 0.00 0.14 -0.03 0.50 -1.11 0.00 0.00 175.55 175.04 3cgu s ARG 340 N -3.81 1.07 -0.13 -0.62 3.52 -0.57 -2.17 118.95 116.25 3cgu s ARG 340 Ca 0.29 -0.13 -0.14 0.00 -0.13 0.00 0.00 55.73 55.62 3cgu s ARG 340 Cb 0.07 -1.39 -0.05 0.00 -1.56 0.00 0.00 34.95 32.03 3cgu s ARG 340 CO 0.14 -0.32 0.32 0.71 -0.81 0.00 0.00 175.30 175.35 3cgu s TYR 341 N 1.83 3.51 -0.13 5.12 1.51 0.11 -2.04 117.35 127.26 3cgu s TYR 341 Ca 0.04 0.68 -0.01 0.00 -1.01 0.00 0.00 57.07 56.77 3cgu s TYR 341 Cb -0.13 -2.35 -0.02 0.00 -0.11 0.00 0.00 41.96 39.35 3cgu s TYR 341 CO -0.07 0.30 -0.09 -0.51 -1.11 0.00 0.00 175.55 174.07 3cgu s LEU 342 N 0.24 2.98 0.03 -1.29 2.01 0.35 -1.12 118.68 121.88 3cgu s LEU 342 Ca 0.19 -0.21 0.08 0.00 0.01 0.00 0.00 54.13 54.20 3cgu s LEU 342 Cb -0.14 -1.69 -0.03 0.00 0.01 0.00 0.00 46.19 44.35 3cgu s LEU 342 CO 0.06 0.19 -0.23 -0.36 1.01 0.00 0.00 176.35 177.02 3cgu s PHE 343 N 0.20 2.42 0.28 0.29 0.40 -1.02 -0.38 117.98 120.17 3cgu s PHE 343 Ca -0.05 -0.35 0.03 0.00 -0.60 0.00 0.00 56.93 55.96 3cgu s PHE 343 Cb -0.15 -1.44 -0.06 0.00 0.51 0.00 0.00 43.02 41.89 3cgu s PHE 343 CO 0.04 0.16 0.06 0.00 0.70 0.00 0.00 175.22 176.18 3cgu s ALA 344 N -0.83 1.98 0.04 5.36 0.00 -0.37 -1.30 121.76 126.64 3cgu s ALA 344 Ca 0.13 -1.91 -0.13 0.00 0.00 0.00 0.00 51.96 50.04 3cgu s ALA 344 Cb -0.10 0.76 -0.06 0.00 0.00 0.00 0.00 23.12 23.72 3cgu s ALA 344 CO 0.03 -0.35 0.43 0.00 0.00 0.00 0.00 175.76 175.86 3cgu s SER 346 N -1.34 6.74 0.32 0.00 1.04 0.11 -4.80 113.70 115.77 3cgu s SER 346 Ca 0.28 2.21 -0.29 0.00 0.48 0.00 0.00 55.95 58.63 3cgu s SER 346 Cb -0.16 -2.61 -0.10 0.00 0.10 0.00 0.00 66.02 63.25 3cgu s SER 346 CO 0.15 -0.51 1.30 -2.84 0.98 0.00 0.00 173.24 172.32 3cgu s PRO 347 N -2.23 4.37 0.00 4.02 0.02 -1.26 -4.56 135.00 135.37 3cgu s PRO 347 Ca 0.55 2.19 0.20 0.00 0.02 0.00 0.00 61.00 63.97 3cgu s PRO 347 Cb -0.28 -3.08 -0.08 0.00 0.02 0.00 0.00 34.50 31.08 3cgu s PRO 347 CO 0.35 -0.17 0.96 1.47 -0.33 0.00 0.00 177.00 179.27 3cgu n LEU 348 N 0.92 1.58 -4.09 -5.54 -0.00 -1.26 -4.95 117.00 103.66 3cgu n LEU 348 Ca 0.00 -0.67 -0.17 0.00 -0.00 0.00 0.00 56.01 55.17 3cgu n LEU 348 Cb 0.42 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.71 3cgu n LEU 348 CO 0.59 0.32 -0.44 0.28 -0.00 0.00 0.00 177.39 178.14 3cgu s THR 349 N -2.50 0.83 -0.39 1.47 -1.32 -1.26 -5.12 115.64 107.34 3cgu s THR 349 Ca 0.14 -0.87 -0.21 0.00 -1.21 0.00 0.00 61.69 59.54 3cgu s THR 349 Cb 0.16 -0.78 0.01 0.00 -1.51 0.00 0.00 72.50 70.38 3cgu s THR 349 CO 0.62 -0.07 0.66 0.00 -2.21 0.00 0.00 174.62 173.62 3cgu s ARG 350 N -1.05 3.52 0.47 7.08 1.70 -1.26 -4.94 118.95 124.46 3cgu s ARG 350 Ca -0.01 -0.11 0.04 0.00 -0.47 0.00 0.00 55.73 55.18 3cgu s ARG 350 Cb -0.07 -3.87 0.01 0.00 -0.57 0.00 0.00 34.95 30.45 3cgu s ARG 350 CO 0.01 -0.87 0.66 -1.17 -1.08 0.00 0.00 175.30 172.85 3cgu s LEU 351 N 2.81 3.54 -0.00 -1.89 2.96 -1.26 -4.87 118.68 119.97 3cgu s LEU 351 Ca 0.24 -0.10 -0.28 0.00 -0.22 0.00 0.00 54.13 53.78 3cgu s LEU 351 Cb -0.14 -2.85 -0.04 0.00 0.50 0.00 0.00 46.19 43.67 3cgu s LEU 351 CO 0.17 -0.87 0.89 -0.13 -1.32 0.00 0.00 176.35 175.09 3cgu s ARG 352 N -4.53 4.54 0.12 1.98 1.81 -1.26 0.54 118.95 122.13 3cgu s ARG 352 Ca 0.53 1.26 -0.31 0.00 -1.72 0.00 0.00 55.73 55.49 3cgu s ARG 352 Cb -0.10 -3.44 -0.09 0.00 -0.45 0.00 0.00 34.95 30.87 3cgu s ARG 352 CO 0.36 0.03 1.55 0.00 -0.68 0.00 0.00 175.30 176.56 3cgu s GLN 354 N 1.68 4.66 0.14 0.00 -0.21 -1.26 -4.62 119.66 120.05 3cgu s GLN 354 Ca 0.70 1.33 -0.33 0.00 0.02 0.00 0.00 55.36 57.08 3cgu s GLN 354 Cb -0.41 -3.35 -0.17 0.00 1.00 0.00 0.00 33.01 30.08 3cgu s GLN 354 CO 0.31 0.31 0.90 -2.13 -2.12 0.00 0.00 175.29 172.56 3cgu n ARG 355 N 2.47 0.41 0.00 2.91 0.63 -1.26 -1.48 116.66 120.34 3cgu n ARG 355 Ca -0.00 0.15 0.00 0.00 -0.92 0.00 0.00 57.85 57.07 3cgu n ARG 355 Cb 0.49 -1.46 0.00 0.00 0.45 0.00 0.00 32.46 31.94 3cgu n ARG 355 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3cgu n LYS 356 N 1.36 0.00 -3.23 -0.14 4.81 -1.26 -5.03 118.16 114.66 3cgu n LYS 356 Ca 0.17 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.23 3cgu n LYS 356 Cb 0.20 -0.38 -0.06 0.00 0.02 0.00 0.00 35.03 34.81 3cgu n LYS 356 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 3cgu s GLN 357 N -0.53 4.25 0.38 1.64 -2.07 -0.55 -5.02 119.66 117.76 3cgu s GLN 357 Ca 0.00 0.80 -0.27 0.00 -1.82 0.00 0.00 55.36 54.06 3cgu s GLN 357 Cb 0.00 -3.24 -0.10 0.00 -1.09 0.00 0.00 33.01 28.59 3cgu s GLN 357 CO 0.00 0.63 1.35 -1.25 -1.32 0.00 0.00 175.29 174.70 3cgu s PRO 358 N -1.13 4.12 -0.16 9.60 0.04 -1.26 -4.63 135.00 141.58 3cgu s PRO 358 Ca 0.30 2.29 0.17 0.00 0.04 0.00 0.00 61.00 63.80 3cgu s PRO 358 Cb -0.20 -2.91 -0.25 0.00 0.04 0.00 0.00 34.50 31.18 3cgu s PRO 358 CO 0.20 -0.41 0.20 0.00 0.04 0.00 0.00 177.00 177.03 3cgu s LYS 360 N -2.56 1.11 -0.11 0.00 2.47 -1.10 -0.44 119.74 119.12 3cgu s LYS 360 Ca -0.09 -0.41 0.02 0.00 -1.56 0.00 0.00 55.97 53.93 3cgu s LYS 360 Cb 0.07 -1.03 -0.01 0.00 -1.46 0.00 0.00 37.83 35.39 3cgu s LYS 360 CO 0.83 0.20 -0.18 -1.17 0.16 0.00 0.00 175.35 175.19 3cgu s LEU 361 N -0.02 2.45 -0.16 5.43 2.96 -0.17 0.39 118.68 129.55 3cgu s LEU 361 Ca -0.00 -0.42 -0.02 0.00 -0.22 0.00 0.00 54.13 53.48 3cgu s LEU 361 Cb -0.08 -1.52 -0.01 0.00 0.50 0.00 0.00 46.19 45.08 3cgu s LEU 361 CO 0.00 0.17 -0.10 -0.36 -1.32 0.00 0.00 176.35 174.75 3cgu s PHE 362 N 0.29 2.87 -0.29 5.38 0.08 0.10 -0.18 117.98 126.23 3cgu s PHE 362 Ca -0.13 -0.76 0.02 0.00 0.12 0.00 0.00 56.93 56.18 3cgu s PHE 362 Cb -0.16 -1.94 0.07 0.00 -0.57 0.00 0.00 43.02 40.42 3cgu s PHE 362 CO 0.07 -0.33 -0.04 0.99 -0.10 0.00 0.00 175.22 175.80 3cgu s THR 363 N 0.75 2.37 -0.34 0.64 2.01 0.57 -0.23 115.64 121.40 3cgu s THR 363 Ca -0.04 -1.78 -0.17 0.00 0.31 0.00 0.00 61.69 60.00 3cgu s THR 363 Cb -0.15 -2.48 -0.01 0.00 0.01 0.00 0.00 72.50 69.87 3cgu s THR 363 CO 0.02 -0.20 0.46 -0.69 -0.69 0.00 0.00 174.62 173.51 3cgu s VAL 364 N 1.08 5.07 -0.20 3.82 1.01 -0.42 -0.78 120.40 129.98 3cgu s VAL 364 Ca -0.03 0.26 -0.03 0.00 0.00 0.00 0.00 61.98 62.18 3cgu s VAL 364 Cb -0.20 -3.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.27 3cgu s VAL 364 CO -0.05 -0.16 -0.07 -0.60 0.00 0.00 0.00 175.10 174.23 3cgu s ARG 365 N 2.26 3.37 -0.65 2.72 3.52 0.10 -1.93 118.95 128.34 3cgu s ARG 365 Ca 0.16 -0.64 -0.27 0.00 -0.13 0.00 0.00 55.73 54.85 3cgu s ARG 365 Cb -0.16 -2.92 0.04 0.00 -1.56 0.00 0.00 34.95 30.35 3cgu s ARG 365 CO 0.12 -0.11 1.17 0.15 -0.81 0.00 0.00 175.30 175.83 3cgu s LYS 366 N 1.23 3.33 0.00 5.12 1.02 -0.94 -1.14 119.74 128.36 3cgu s LYS 366 Ca 0.03 -0.11 -0.07 0.00 0.02 0.00 0.00 55.97 55.84 3cgu s LYS 366 Cb -0.14 -4.10 -0.04 0.00 -0.52 0.00 0.00 37.83 33.03 3cgu s LYS 366 CO -0.02 -1.85 0.74 0.00 -0.92 0.00 0.00 175.35 173.30 3cgu h ARG 367 N 9.70 -0.23 0.00 1.68 2.47 -1.58 -3.48 114.38 122.95 3cgu h ARG 367 Ca -0.27 0.02 -0.24 0.00 -1.26 0.00 0.00 59.98 58.22 3cgu h ARG 367 Cb 1.06 0.05 -0.06 0.00 -1.65 0.00 0.00 29.97 29.36 3cgu h ARG 367 CO 1.21 -0.15 -0.24 0.00 0.56 0.00 0.00 179.97 181.35 3cgu n GLN 368 N -2.89 0.21 -0.13 0.04 10.64 -1.07 -5.00 117.38 119.18 3cgu n GLN 368 Ca -0.03 -1.71 0.22 0.00 -1.83 0.00 0.00 57.00 53.65 3cgu n GLN 368 Cb 0.09 1.41 0.63 0.00 -0.86 0.00 0.00 30.24 31.51 3cgu n GLN 368 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 3cgu h GLU 369 N 0.00 0.15 0.00 2.61 4.81 -2.04 -2.18 114.58 117.93 3cgu h GLU 369 Ca -0.12 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 3cgu h GLU 369 Cb 0.62 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.92 3cgu h GLU 369 CO 0.18 0.10 -0.41 1.19 -0.73 0.00 0.00 179.01 179.34 3cgu n PHE 370 N -4.39 0.00 -3.64 0.92 3.01 -1.26 -4.99 117.46 107.11 3cgu n PHE 370 Ca 0.15 -1.12 -0.16 0.00 1.01 0.00 0.00 57.45 57.33 3cgu n PHE 370 Cb 0.72 -0.19 -0.14 0.00 -0.01 0.00 0.00 39.48 39.85 3cgu n PHE 370 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 3cgu s LEU 371 N -2.52 -0.16 0.21 4.37 2.96 -0.82 -5.12 118.68 117.59 3cgu s LEU 371 Ca 0.33 0.33 0.08 0.00 -0.22 0.00 0.00 54.13 54.65 3cgu s LEU 371 Cb 0.32 0.44 -0.04 0.00 0.50 0.00 0.00 46.19 47.41 3cgu s LEU 371 CO -0.05 -0.26 0.00 -1.81 -1.32 0.00 0.00 176.35 172.92 3cgu s ASP 372 N 2.34 4.70 -0.08 3.68 -0.00 -1.26 -1.40 116.67 124.65 3cgu s ASP 372 Ca 0.03 -0.48 -0.01 0.00 -0.00 0.00 0.00 52.55 52.09 3cgu s ASP 372 Cb -0.13 -0.96 0.03 0.00 -0.00 0.00 0.00 42.92 41.86 3cgu s ASP 372 CO -0.08 0.06 -0.02 -0.70 -0.00 0.00 0.00 175.17 174.42 3cgu s GLU 373 N -3.21 0.89 -0.31 8.23 2.12 -0.29 -4.89 118.70 121.23 3cgu s GLU 373 Ca 0.29 -0.01 -0.08 0.00 0.36 0.00 0.00 54.97 55.53 3cgu s GLU 373 Cb -0.08 -1.14 0.01 0.00 0.26 0.00 0.00 34.13 33.18 3cgu s GLU 373 CO 0.19 -0.28 0.11 0.08 -0.54 0.00 0.00 175.26 174.83 3cgu s VAL 374 N 1.82 4.17 -0.23 3.70 1.01 -1.26 -0.72 120.40 128.89 3cgu s VAL 374 Ca 0.04 -0.69 -0.15 0.00 0.00 0.00 0.00 61.98 61.17 3cgu s VAL 374 Cb -0.12 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 3cgu s VAL 374 CO -0.06 0.02 0.39 0.20 0.00 0.00 0.00 175.10 175.65 3cgu s ASN 375 N 1.52 6.36 -0.27 3.32 0.01 0.04 -4.90 114.94 121.02 3cgu s ASN 375 Ca 0.03 0.42 -0.03 0.00 -0.71 0.00 0.00 52.86 52.57 3cgu s ASN 375 Cb -0.18 -2.22 0.03 0.00 0.41 0.00 0.00 41.25 39.29 3cgu s ASN 375 CO 0.04 -0.13 -0.02 -0.51 -1.51 0.00 0.00 177.10 174.98 3cgu s ILE 376 N 1.65 3.14 -0.08 0.60 2.07 -1.26 -0.32 121.20 127.00 3cgu s ILE 376 Ca 0.17 -1.03 -0.17 0.00 -1.41 0.00 0.00 60.65 58.22 3cgu s ILE 376 Cb -0.15 -2.65 -0.05 0.00 0.13 0.00 0.00 42.46 39.75 3cgu s ILE 376 CO 0.09 0.11 0.44 0.20 -1.91 0.00 0.00 174.94 173.86 3cgu s ASN 377 N 1.35 6.70 -0.38 4.50 0.02 0.75 -4.94 114.94 122.94 3cgu s ASN 377 Ca -0.00 0.84 -0.18 0.00 -1.02 0.00 0.00 52.86 52.50 3cgu s ASN 377 Cb -0.17 -2.27 0.01 0.00 0.02 0.00 0.00 41.25 38.84 3cgu s ASN 377 CO -0.02 0.11 0.47 -0.44 0.02 0.00 0.00 177.10 177.25 3cgu s SER 378 N 0.06 6.25 -0.04 -1.22 0.01 -1.26 -1.00 113.70 116.49 3cgu s SER 378 Ca 0.24 -0.33 0.09 0.00 1.31 0.00 0.00 55.95 57.26 3cgu s SER 378 Cb -0.15 -2.25 -0.24 0.00 0.21 0.00 0.00 66.02 63.59 3cgu s SER 378 CO 0.11 -0.53 0.67 -0.07 0.41 0.00 0.00 173.24 173.83 3cgu h LEU 379 N 9.09 0.08 -7.75 2.44 3.38 -1.06 -3.43 115.31 118.07 3cgu h LEU 379 Ca -0.27 -0.17 0.21 0.00 0.09 0.00 0.00 57.88 57.73 3cgu h LEU 379 Cb 1.12 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.78 3cgu h LEU 379 CO 0.78 1.15 0.61 0.00 0.09 0.00 0.00 178.44 181.07 3cgu s GLN 381 N -2.57 3.97 0.46 0.00 2.00 0.19 -4.80 119.66 118.91 3cgu s GLN 381 Ca 0.18 -0.30 -0.24 0.00 -2.00 0.00 0.00 55.36 52.99 3cgu s GLN 381 Cb -0.01 -3.64 -0.07 0.00 0.80 0.00 0.00 33.01 30.09 3cgu s GLN 381 CO 0.03 -0.14 1.32 0.00 -0.50 0.00 0.00 175.29 176.00 3cgu n PRO 383 N -0.36 0.24 -2.05 0.00 -0.02 -1.26 -4.84 135.00 126.71 3cgu n PRO 383 Ca 0.06 0.15 -0.40 0.00 -2.02 0.00 0.00 63.50 61.30 3cgu n PRO 383 Cb 0.44 -2.31 -0.01 0.00 -0.02 0.00 0.00 33.50 31.61 3cgu n PRO 383 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3cgu s LYS 384 N -3.81 4.05 0.00 -0.52 2.47 -1.26 -2.37 119.74 118.31 3cgu s LYS 384 Ca 0.72 2.19 0.00 0.00 -1.56 0.00 0.00 55.97 57.32 3cgu s LYS 384 Cb -0.30 -2.83 0.00 0.00 -1.46 0.00 0.00 37.83 33.24 3cgu s LYS 384 CO 0.52 -0.43 0.00 0.41 0.16 0.00 0.00 175.35 176.01 3cgu n GLY 385 N 0.68 0.72 3.16 5.54 0.00 -1.26 -5.07 105.19 108.97 3cgu n GLY 385 Ca 0.03 -0.20 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 3cgu n GLY 385 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3cgu s HIS 386 N -2.00 0.05 0.01 1.61 3.76 -1.00 -2.70 115.29 115.02 3cgu s HIS 386 Ca 0.00 -0.24 0.02 0.00 -0.15 0.00 0.00 55.06 54.69 3cgu s HIS 386 Cb 0.00 -0.04 -0.01 0.00 1.11 0.00 0.00 32.58 33.64 3cgu s HIS 386 CO 0.00 -0.40 -0.08 -0.98 -0.85 0.00 0.00 174.74 172.44 3cgu s ARG 387 N -2.29 0.60 0.25 1.40 1.70 -1.04 -4.75 118.95 114.82 3cgu s ARG 387 Ca -0.07 -0.37 -0.29 0.00 -0.47 0.00 0.00 55.73 54.52 3cgu s ARG 387 Cb -0.02 -0.55 -0.09 0.00 -0.57 0.00 0.00 34.95 33.71 3cgu s ARG 387 CO -0.02 0.15 0.94 0.00 -1.08 0.00 0.00 175.30 175.28 3cgu s PRO 389 N -1.29 2.54 -0.17 0.00 0.04 -1.26 -4.99 135.00 129.86 3cgu s PRO 389 Ca 0.42 2.02 0.10 0.00 0.04 0.00 0.00 61.00 63.59 3cgu s PRO 389 Cb -0.25 -1.85 -0.23 0.00 0.04 0.00 0.00 34.50 32.21 3cgu s PRO 389 CO 0.31 -1.59 0.15 -1.13 0.04 0.00 0.00 177.00 174.77 3cgu n SER 390 N -1.95 0.90 -4.28 6.66 3.41 -1.26 -4.93 113.62 112.17 3cgu n SER 390 Ca 0.16 0.07 -0.15 0.00 -0.26 0.00 0.00 58.87 58.69 3cgu n SER 390 Cb 0.48 0.23 -0.10 0.00 -0.26 0.00 0.00 64.21 64.57 3cgu n SER 390 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 3cgu s HIS 391 N -2.53 1.37 -0.40 7.33 -3.43 -1.26 -5.08 115.29 111.29 3cgu s HIS 391 Ca -0.16 -0.81 0.26 0.00 -0.80 0.00 0.00 55.06 53.55 3cgu s HIS 391 Cb 0.07 -0.73 0.80 0.00 -1.43 0.00 0.00 32.58 31.29 3cgu s HIS 391 CO 0.77 0.04 1.76 1.12 -2.00 0.00 0.00 174.74 176.42 3cgu h HIS 392 N 2.68 0.00 0.00 0.38 2.07 -1.99 -2.99 115.15 115.30 3cgu h HIS 392 Ca -0.37 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.15 3cgu h HIS 392 Cb 1.20 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.18 3cgu h HIS 392 CO 0.62 0.00 -0.72 0.25 -3.07 0.00 0.00 177.93 175.01 3cgu n THR 393 N -2.75 0.15 -1.70 6.12 -2.24 -1.26 -4.83 114.28 107.77 3cgu n THR 393 Ca 0.03 -0.15 -0.40 0.00 -2.27 0.00 0.00 64.05 61.26 3cgu n THR 393 Cb 0.41 0.17 0.03 0.00 -2.10 0.00 0.00 70.33 68.83 3cgu n THR 393 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3cgu n GLN 394 N -1.82 1.72 -2.14 -0.78 7.27 -1.13 -4.93 117.38 115.56 3cgu n GLN 394 Ca 0.04 0.62 -0.40 0.00 0.07 0.00 0.00 57.00 57.32 3cgu n GLN 394 Cb 0.40 -2.42 -0.02 0.00 2.41 0.00 0.00 30.24 30.60 3cgu n GLN 394 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 3cgu s SER 395 N -0.76 6.76 0.00 1.69 0.01 -1.26 -3.24 113.70 116.91 3cgu s SER 395 Ca 0.67 2.64 0.00 0.00 1.31 0.00 0.00 55.95 60.57 3cgu s SER 395 Cb -0.46 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.12 3cgu s SER 395 CO 0.54 -0.53 0.00 0.61 0.41 0.00 0.00 173.24 174.26 3cgu n GLY 396 N 0.81 1.07 3.03 3.44 0.00 -1.26 -5.00 105.19 107.28 3cgu n GLY 396 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 3cgu n GLY 396 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cgu s VAL 397 N -2.00 0.85 0.28 1.61 1.01 -1.20 -2.74 120.40 118.21 3cgu s VAL 397 Ca 0.00 -0.43 0.09 0.00 0.00 0.00 0.00 61.98 61.64 3cgu s VAL 397 Cb 0.00 -0.73 -0.06 0.00 0.00 0.00 0.00 36.38 35.60 3cgu s VAL 397 CO 0.00 0.25 -0.12 -0.63 0.00 0.00 0.00 175.10 174.60 3cgu s ILE 398 N -0.06 2.03 0.16 2.22 1.09 -1.08 -4.96 121.20 120.61 3cgu s ILE 398 Ca 0.01 -2.23 -0.31 0.00 -1.10 0.00 0.00 60.65 57.01 3cgu s ILE 398 Cb -0.06 -2.39 -0.10 0.00 -1.06 0.00 0.00 42.46 38.85 3cgu s ILE 398 CO 0.00 -0.35 1.52 0.00 -0.10 0.00 0.00 174.94 176.00 3cgu s ALA 399 N -2.77 3.72 0.00 9.38 0.00 -1.26 -1.85 121.76 128.98 3cgu s ALA 399 Ca 0.29 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.56 3cgu s ALA 399 Cb 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.53 3cgu s ALA 399 CO 0.13 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.56 3cgu n GLY 400 N 3.55 0.72 3.60 0.00 0.00 0.24 -4.84 105.19 108.46 3cgu n GLY 400 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 3cgu n GLY 400 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cgu s GLU 401 N 1.37 2.21 -0.04 1.61 0.41 -1.24 -4.90 118.70 118.11 3cgu s GLU 401 Ca 0.00 -1.02 0.02 0.00 -0.41 0.00 0.00 54.97 53.57 3cgu s GLU 401 Cb 0.00 -2.34 -0.03 0.00 -1.78 0.00 0.00 34.13 29.98 3cgu s GLU 401 CO 0.00 0.50 -0.09 -1.12 -0.49 0.00 0.00 175.26 174.06 3cgu s SER 402 N -2.32 4.46 -0.38 -0.19 0.01 -1.26 -1.29 113.70 112.73 3cgu s SER 402 Ca 0.23 -0.10 0.01 0.00 1.31 0.00 0.00 55.95 57.39 3cgu s SER 402 Cb -0.11 -1.05 0.12 0.00 0.21 0.00 0.00 66.02 65.20 3cgu s SER 402 CO 0.15 0.34 0.19 0.12 0.41 0.00 0.00 173.24 174.44 3cgu s PHE 403 N -0.84 1.61 0.19 2.43 5.99 0.03 -5.01 117.98 122.38 3cgu s PHE 403 Ca 0.13 -2.02 -0.09 0.00 0.00 0.00 0.00 56.93 54.95 3cgu s PHE 403 Cb -0.11 -1.62 0.10 0.00 0.00 0.00 0.00 43.02 41.39 3cgu s PHE 403 CO 0.03 -0.82 1.71 -0.07 -0.00 0.00 0.00 175.22 176.06 3cgu h LEU 404 N 7.24 1.02 -0.80 6.12 4.07 -1.96 -1.33 115.31 129.69 3cgu h LEU 404 Ca -0.04 -0.23 0.16 0.00 0.08 0.00 0.00 57.88 57.85 3cgu h LEU 404 Cb 0.96 -0.27 -0.10 0.00 1.08 0.00 0.00 40.66 42.33 3cgu h LEU 404 CO 0.44 0.99 0.34 -0.08 -1.08 0.00 0.00 178.44 179.04 3cgu h GLU 405 N 1.01 0.45 -0.57 1.13 4.22 -1.95 -1.29 114.58 117.59 3cgu h GLU 405 Ca 0.21 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.63 3cgu h GLU 405 Cb 0.36 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3cgu h GLU 405 CO 0.00 0.30 0.00 -3.47 -2.18 0.00 0.00 179.01 173.66 3cgu n ASP 406 N -4.99 4.93 -2.43 1.04 4.64 -1.15 -4.96 116.55 113.62 3cgu n ASP 406 Ca 0.16 -2.64 -0.17 0.00 -1.38 0.00 0.00 54.79 50.76 3cgu n ASP 406 Cb 0.46 -0.60 -0.01 0.00 -1.04 0.00 0.00 41.12 39.94 3cgu n ASP 406 CO 0.00 0.00 0.00 0.59 -0.82 0.00 0.00 177.20 176.97 3cgu n ASN 407 N 0.77 -4.88 -4.59 1.67 3.02 -0.49 -4.85 115.26 105.91 3cgu n ASN 407 Ca 0.25 0.09 -0.31 0.00 -0.03 0.00 0.00 54.58 54.58 3cgu n ASN 407 Cb 0.97 -4.10 -0.10 0.00 -0.61 0.00 0.00 39.78 35.95 3cgu n ASN 407 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3cgu s ILE 408 N -2.83 3.54 -0.06 2.41 -4.36 -0.54 -2.21 121.20 117.15 3cgu s ILE 408 Ca 0.01 -1.02 -0.02 0.00 -0.26 0.00 0.00 60.65 59.35 3cgu s ILE 408 Cb -0.00 -2.61 0.03 0.00 1.25 0.00 0.00 42.46 41.13 3cgu s ILE 408 CO 0.01 0.24 0.05 -1.58 0.24 0.00 0.00 174.94 173.90 3cgu s GLN 409 N -1.86 0.06 0.13 0.37 2.00 -0.81 -0.79 119.66 118.75 3cgu s GLN 409 Ca 0.20 0.27 0.02 0.00 -2.00 0.00 0.00 55.36 53.85 3cgu s GLN 409 Cb -0.11 -0.75 -0.04 0.00 0.80 0.00 0.00 33.01 32.91 3cgu s GLN 409 CO 0.11 -0.37 0.26 0.95 -0.50 0.00 0.00 175.29 175.74 3cgu s THR 410 N 2.13 5.30 -0.01 -0.34 -4.23 -0.41 -1.31 115.64 116.78 3cgu s THR 410 Ca 0.05 -0.62 0.01 0.00 -1.18 0.00 0.00 61.69 59.95 3cgu s THR 410 Cb -0.13 -3.69 -0.00 0.00 1.34 0.00 0.00 72.50 70.02 3cgu s THR 410 CO -0.04 -0.03 -0.05 -0.31 -0.54 0.00 0.00 174.62 173.65 3cgu s TYR 411 N -1.68 0.43 -0.09 3.99 1.51 0.68 0.79 117.35 122.99 3cgu s TYR 411 Ca 0.34 -0.08 0.01 0.00 -1.01 0.00 0.00 57.07 56.33 3cgu s TYR 411 Cb -0.12 -0.29 -0.02 0.00 -0.11 0.00 0.00 41.96 41.42 3cgu s TYR 411 CO 0.28 -0.02 -0.10 -1.54 -1.11 0.00 0.00 175.55 173.06 3cgu s SER 412 N -0.04 4.30 -0.04 2.29 1.04 -0.77 -0.72 113.70 119.76 3cgu s SER 412 Ca 0.01 -0.17 -0.02 0.00 0.48 0.00 0.00 55.95 56.25 3cgu s SER 412 Cb -0.03 -1.25 -0.04 0.00 0.10 0.00 0.00 66.02 64.81 3cgu s SER 412 CO -0.00 0.28 0.08 -0.83 0.98 0.00 0.00 173.24 173.76 3cgu s GLY 413 N -0.35 2.02 0.22 7.32 0.00 0.16 -2.64 107.32 114.05 3cgu s GLY 413 Ca 0.04 -0.81 0.09 0.00 0.00 0.00 0.00 44.72 44.05 3cgu s GLY 413 CO 0.02 -0.64 -0.18 -0.19 0.00 0.00 0.00 173.10 172.12 3cgu s TYR 414 N -1.12 1.96 0.24 1.90 2.02 -1.11 -0.02 117.35 121.22 3cgu s TYR 414 Ca 0.20 -0.46 -0.31 0.00 -0.37 0.00 0.00 57.07 56.13 3cgu s TYR 414 Cb -0.12 -0.90 -0.12 0.00 -0.40 0.00 0.00 41.96 40.42 3cgu s TYR 414 CO 0.10 0.48 1.66 0.00 -1.57 0.00 0.00 175.55 176.22 3cgu s MET 416 N 0.44 1.95 0.04 0.00 1.75 -0.99 -4.96 119.30 117.53 3cgu s MET 416 Ca 0.70 -1.82 -0.30 0.00 -1.25 0.00 0.00 55.69 53.02 3cgu s MET 416 Cb -0.51 -1.83 -0.08 0.00 2.84 0.00 0.00 34.83 35.25 3cgu s MET 416 CO 0.39 0.15 1.71 0.00 -0.65 0.00 0.00 175.02 176.63 3cgu s ALA 417 N -2.55 3.66 0.59 4.11 0.00 -1.26 -2.51 121.76 123.80 3cgu s ALA 417 Ca 0.33 1.17 -0.19 0.00 0.00 0.00 0.00 51.96 53.28 3cgu s ALA 417 Cb 0.01 -3.74 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 3cgu s ALA 417 CO 0.18 -1.26 1.20 1.21 0.00 0.00 0.00 175.76 177.09 3cgu s ASN 418 N 2.98 5.24 0.00 0.00 2.47 -1.10 -4.78 114.94 119.75 3cgu s ASN 418 Ca 0.76 2.37 0.00 0.00 0.42 0.00 0.00 52.86 56.41 3cgu s ASN 418 Cb -0.39 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 36.81 3cgu s ASN 418 CO 0.33 -1.56 0.00 -0.67 -3.72 0.00 0.00 177.10 171.48