#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gq8 h PHE 89 N 0.00 0.31 -0.94 4.41 3.57 -2.06 -2.66 116.94 119.57 3gq8 h PHE 89 Ca 0.00 -0.10 0.01 0.00 3.53 0.00 0.00 57.97 61.41 3gq8 h PHE 89 Cb 0.00 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.63 3gq8 h PHE 89 CO 0.00 0.71 0.62 0.00 -2.23 0.00 0.00 178.31 177.41 3gq8 h ALA 90 N 0.54 1.32 -0.31 2.41 0.00 -2.05 -1.55 119.26 119.62 3gq8 h ALA 90 Ca 0.01 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3gq8 h ALA 90 Cb 0.67 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3gq8 h ALA 90 CO 0.03 0.63 -0.02 -0.44 0.00 0.00 0.00 179.25 179.44 3gq8 h ASP 91 N 1.27 0.45 -0.28 0.00 5.19 -1.99 -0.37 116.42 120.69 3gq8 h ASP 91 Ca 0.34 -0.09 -0.07 0.00 -0.62 0.00 0.00 57.03 56.59 3gq8 h ASP 91 Cb -0.14 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.25 3gq8 h ASP 91 CO -0.07 0.53 -0.12 -0.07 -3.12 0.00 0.00 179.24 176.39 3gq8 h LEU 92 N 0.46 0.58 0.08 1.55 3.38 -0.98 -1.62 115.31 118.77 3gq8 h LEU 92 Ca 0.10 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3gq8 h LEU 92 Cb 0.34 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3gq8 h LEU 92 CO 0.01 0.85 -0.07 0.58 0.09 0.00 0.00 178.44 179.90 3gq8 h VAL 93 N 0.31 0.83 -0.69 1.22 2.07 -1.06 -2.58 116.25 116.35 3gq8 h VAL 93 Ca 0.06 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.70 3gq8 h VAL 93 Cb 0.63 0.83 -0.09 0.00 -1.52 0.00 0.00 31.29 31.14 3gq8 h VAL 93 CO 0.04 0.00 0.26 0.40 0.02 0.00 0.00 177.57 178.29 3gq8 h ILE 94 N -0.17 0.70 -1.00 4.57 2.04 -1.08 -1.21 117.51 121.37 3gq8 h ILE 94 Ca 0.00 -0.15 0.09 0.00 1.00 0.00 0.00 64.86 65.80 3gq8 h ILE 94 Cb 0.16 0.24 -0.07 0.00 -0.74 0.00 0.00 36.82 36.41 3gq8 h ILE 94 CO -0.02 0.08 0.64 1.56 0.00 0.00 0.00 178.15 180.41 3gq8 h GLN 95 N 0.43 1.06 -0.37 2.37 4.20 -1.08 0.16 115.11 121.88 3gq8 h GLN 95 Ca 0.37 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.96 3gq8 h GLN 95 Cb 0.51 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 3gq8 h GLN 95 CO -0.36 0.70 0.02 0.28 -0.67 0.00 0.00 178.83 178.80 3gq8 h VAL 96 N 1.09 1.25 -0.04 -0.54 2.07 -0.86 -2.22 116.25 117.01 3gq8 h VAL 96 Ca 0.45 -0.94 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 3gq8 h VAL 96 Cb 0.30 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3gq8 h VAL 96 CO -0.20 0.32 0.02 0.40 0.02 0.00 0.00 177.57 178.12 3gq8 h ILE 97 N 0.46 1.07 -0.75 4.57 2.04 -0.60 -2.52 117.51 121.79 3gq8 h ILE 97 Ca 0.11 -0.21 0.13 0.00 1.00 0.00 0.00 64.86 65.89 3gq8 h ILE 97 Cb 0.43 1.15 -0.09 0.00 -0.74 0.00 0.00 36.82 37.57 3gq8 h ILE 97 CO 0.02 0.06 0.32 0.44 0.00 0.00 0.00 178.15 178.99 3gq8 h ASP 98 N -0.03 0.34 0.39 1.72 3.32 -0.69 -1.60 116.42 119.86 3gq8 h ASP 98 Ca 0.01 0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 3gq8 h ASP 98 Cb 0.08 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3gq8 h ASP 98 CO -0.00 0.15 -0.18 -0.33 -1.72 0.00 0.00 179.24 177.16 3gq8 h GLU 99 N 0.49 0.00 0.00 3.56 5.08 -1.15 -2.53 114.58 120.04 3gq8 h GLU 99 Ca 0.40 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.70 3gq8 h GLU 99 Cb 0.56 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 3gq8 h GLU 99 CO -0.36 0.18 -0.29 -0.07 -1.00 0.00 0.00 179.01 177.46 3gq8 h LEU 100 N 0.00 0.00 -2.55 1.33 3.38 -0.86 -3.47 115.31 113.14 3gq8 h LEU 100 Ca -0.00 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.50 3gq8 h LEU 100 Cb 0.42 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.19 3gq8 h LEU 100 CO 0.02 0.29 -0.91 0.29 0.09 0.00 0.00 178.44 178.22 3gq8 n LYS 101 N -3.90 -2.40 0.14 1.13 5.02 -0.96 -4.86 118.16 112.33 3gq8 n LYS 101 Ca -0.02 0.43 0.01 0.00 -2.02 0.00 0.00 58.31 56.71 3gq8 n LYS 101 Cb 0.36 -4.33 0.31 0.00 -0.02 0.00 0.00 35.03 31.35 3gq8 n LYS 101 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 3gq8 h GLN 102 N -1.90 0.14 -0.01 1.97 4.20 -1.87 -3.07 115.11 114.58 3gq8 h GLN 102 Ca -0.65 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.01 3gq8 h GLN 102 Cb 1.37 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.14 3gq8 h GLN 102 CO 0.55 0.48 -0.36 1.19 -0.67 0.00 0.00 178.83 180.01 3gq8 n PHE 103 N -4.09 0.00 0.00 2.96 3.01 -1.26 -5.09 117.46 112.99 3gq8 n PHE 103 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 3gq8 n PHE 103 Cb 0.41 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.88 3gq8 n PHE 103 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gq8 n GLY 104 N 1.12 0.21 3.51 1.37 0.00 -1.16 -4.65 105.19 105.59 3gq8 n GLY 104 Ca 0.05 -1.77 -0.34 0.00 0.00 0.00 0.00 46.02 43.96 3gq8 n GLY 104 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gq8 s VAL 105 N 0.00 3.79 0.36 1.61 -7.23 0.14 -4.36 120.40 114.71 3gq8 s VAL 105 Ca 0.00 -0.40 -0.25 0.00 -1.81 0.00 0.00 61.98 59.52 3gq8 s VAL 105 Cb 0.00 -2.63 -0.10 0.00 0.56 0.00 0.00 36.38 34.21 3gq8 s VAL 105 CO 0.00 0.52 0.99 -0.55 -0.31 0.00 0.00 175.10 175.75 3gq8 s SER 106 N 0.11 7.09 0.51 4.85 0.15 -1.26 -0.23 113.70 124.91 3gq8 s SER 106 Ca -0.01 1.91 0.23 0.00 0.70 0.00 0.00 55.95 58.78 3gq8 s SER 106 Cb -0.14 -2.58 1.38 0.00 -1.71 0.00 0.00 66.02 62.98 3gq8 s SER 106 CO 0.03 -0.25 2.09 -0.37 1.20 0.00 0.00 173.24 175.94 3gq8 h VAL 107 N 2.40 0.75 -0.02 4.45 -1.51 -1.61 -2.63 116.25 118.08 3gq8 h VAL 107 Ca -0.48 -0.43 -0.06 0.00 -1.23 0.00 0.00 66.70 64.50 3gq8 h VAL 107 Cb 1.20 1.25 -0.01 0.00 -2.13 0.00 0.00 31.29 31.60 3gq8 h VAL 107 CO 0.64 0.11 -0.29 0.11 -1.23 0.00 0.00 177.57 176.90 3gq8 h LYS 108 N 0.00 0.04 -0.17 5.19 1.57 -1.85 -1.52 116.57 119.83 3gq8 h LYS 108 Ca -0.00 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3gq8 h LYS 108 Cb 0.25 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 3gq8 h LYS 108 CO 0.01 0.33 0.12 1.15 -0.57 0.00 0.00 179.45 180.49 3gq8 h THR 109 N 0.03 1.01 -0.59 -0.16 2.02 -1.79 -2.32 112.91 111.12 3gq8 h THR 109 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3gq8 h THR 109 Cb 0.54 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 3gq8 h THR 109 CO 0.04 0.03 0.00 -1.22 0.37 0.00 0.00 175.52 174.74 3gq8 n TYR 110 N -4.51 0.79 0.00 3.16 4.02 -0.61 -4.92 117.16 115.09 3gq8 n TYR 110 Ca -0.00 -0.39 0.00 0.00 -0.01 0.00 0.00 57.90 57.49 3gq8 n TYR 110 Cb 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.44 3gq8 n TYR 110 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3gq8 n GLY 111 N 1.45 0.90 3.77 2.72 0.00 -0.87 -4.32 105.19 108.84 3gq8 n GLY 111 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3gq8 n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gq8 s ALA 112 N -2.00 3.55 -0.22 4.61 0.00 -0.96 -4.94 121.76 121.80 3gq8 s ALA 112 Ca 0.00 1.42 0.12 0.00 0.00 0.00 0.00 51.96 53.50 3gq8 s ALA 112 Cb 0.00 -3.55 -0.22 0.00 0.00 0.00 0.00 23.12 19.35 3gq8 s ALA 112 CO 0.00 -0.86 -0.04 1.63 0.00 0.00 0.00 175.76 176.49 3gq8 n LYS 113 N 0.78 0.69 -3.79 0.00 4.76 -1.26 -4.41 118.16 114.93 3gq8 n LYS 113 Ca 0.01 0.05 -0.25 0.00 -2.87 0.00 0.00 58.31 55.25 3gq8 n LYS 113 Cb 0.40 -1.52 0.03 0.00 -1.84 0.00 0.00 35.03 32.11 3gq8 n LYS 113 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gq8 n GLY 114 N 1.95 -0.40 0.67 0.72 0.00 -1.26 -4.90 105.19 101.97 3gq8 n GLY 114 Ca -0.38 0.16 0.08 0.00 0.00 0.00 0.00 46.02 45.89 3gq8 n GLY 114 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gq8 n ASP 115 N -2.96 2.44 0.00 1.61 5.68 -1.09 -2.64 116.55 119.59 3gq8 n ASP 115 Ca -0.13 -1.70 0.00 0.00 -0.50 0.00 0.00 54.79 52.46 3gq8 n ASP 115 Cb 0.60 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.54 3gq8 n ASP 115 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gq8 n GLY 116 N 0.89 0.83 1.54 6.12 0.00 -0.10 -4.81 105.19 109.66 3gq8 n GLY 116 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3gq8 n GLY 116 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gq8 n VAL 117 N -2.21 0.21 -2.05 1.61 0.31 -1.26 -4.91 118.33 110.03 3gq8 n VAL 117 Ca 0.00 0.07 -0.41 0.00 -0.01 0.00 0.00 64.34 63.99 3gq8 n VAL 117 Cb 0.00 -0.98 -0.02 0.00 -0.91 0.00 0.00 33.84 31.93 3gq8 n VAL 117 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3gq8 s THR 118 N -2.00 2.74 -0.24 2.52 2.01 -1.26 -4.91 115.64 114.50 3gq8 s THR 118 Ca 0.00 0.63 -0.29 0.00 0.31 0.00 0.00 61.69 62.34 3gq8 s THR 118 Cb 0.00 -3.40 -0.02 0.00 0.01 0.00 0.00 72.50 69.09 3gq8 s THR 118 CO 0.00 0.10 1.64 -0.62 -0.69 0.00 0.00 174.62 175.05 3gq8 s ASP 119 N 0.33 6.31 0.00 3.53 2.15 -1.26 -3.90 116.67 123.82 3gq8 s ASP 119 Ca 0.59 1.55 0.18 0.00 0.43 0.00 0.00 52.55 55.29 3gq8 s ASP 119 Cb -0.41 -2.53 0.50 0.00 -0.30 0.00 0.00 42.92 40.18 3gq8 s ASP 119 CO 0.43 -1.33 1.42 0.47 -0.17 0.00 0.00 175.17 175.99 3gq8 n ASP 120 N 8.72 3.53 -0.35 -0.34 8.00 0.49 -4.68 116.55 131.93 3gq8 n ASP 120 Ca 0.19 -1.99 0.03 0.00 0.71 0.00 0.00 54.79 53.73 3gq8 n ASP 120 Cb 0.46 -0.37 0.18 0.00 -0.02 0.00 0.00 41.12 41.36 3gq8 n ASP 120 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3gq8 h ILE 121 N 3.50 1.03 -0.34 0.53 6.09 -1.90 -2.27 117.51 124.15 3gq8 h ILE 121 Ca 0.00 -0.36 -0.10 0.00 -1.37 0.00 0.00 64.86 63.03 3gq8 h ILE 121 Cb 0.89 -0.12 -0.01 0.00 0.47 0.00 0.00 36.82 38.05 3gq8 h ILE 121 CO 0.00 0.19 -0.21 0.03 -3.07 0.00 0.00 178.15 175.09 3gq8 h ARG 122 N 1.06 0.64 -0.53 2.19 2.47 -1.96 0.11 114.38 118.35 3gq8 h ARG 122 Ca 0.42 -0.24 -0.01 0.00 -1.26 0.00 0.00 59.98 58.90 3gq8 h ARG 122 Cb 0.24 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.49 3gq8 h ARG 122 CO -0.19 0.81 0.30 0.00 0.56 0.00 0.00 179.97 181.45 3gq8 h ALA 123 N 1.20 0.68 -0.12 0.04 0.00 -1.61 0.44 119.26 119.89 3gq8 h ALA 123 Ca 0.08 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gq8 h ALA 123 Cb 0.67 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3gq8 h ALA 123 CO 0.05 0.18 0.06 0.74 0.00 0.00 0.00 179.25 180.28 3gq8 h PHE 124 N 0.71 0.17 -0.67 0.00 -1.00 -1.06 -1.05 116.94 114.04 3gq8 h PHE 124 Ca 0.19 -0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.97 3gq8 h PHE 124 Cb 0.02 -0.05 -0.03 0.00 3.61 0.00 0.00 35.95 39.49 3gq8 h PHE 124 CO -0.02 0.22 0.45 0.93 -1.61 0.00 0.00 178.31 178.28 3gq8 h GLU 125 N 0.07 0.88 -0.19 1.51 5.08 -0.79 0.23 114.58 121.37 3gq8 h GLU 125 Ca 0.04 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3gq8 h GLU 125 Cb 0.12 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3gq8 h GLU 125 CO -0.01 0.59 0.04 0.87 -1.00 0.00 0.00 179.01 179.50 3gq8 h LYS 126 N 0.91 0.30 -0.43 2.33 1.57 -0.85 -1.64 116.57 118.77 3gq8 h LYS 126 Ca 0.25 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3gq8 h LYS 126 Cb -0.10 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 3gq8 h LYS 126 CO -0.06 0.43 0.27 0.00 -0.57 0.00 0.00 179.45 179.53 3gq8 h ALA 127 N 0.85 0.55 -0.59 3.86 0.00 -1.00 -2.57 119.26 120.36 3gq8 h ALA 127 Ca 0.06 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3gq8 h ALA 127 Cb 0.27 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3gq8 h ALA 127 CO 0.00 0.02 0.11 0.82 0.00 0.00 0.00 179.25 180.20 3gq8 h ILE 128 N 0.57 1.24 0.00 0.00 2.04 -0.89 -2.39 117.51 118.08 3gq8 h ILE 128 Ca 0.16 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 65.09 3gq8 h ILE 128 Cb -0.03 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 3gq8 h ILE 128 CO -0.03 0.34 0.00 -1.84 0.00 0.00 0.00 178.15 176.62 3gq8 n GLU 129 N -4.24 0.07 0.27 2.37 0.28 -0.62 -3.98 120.64 114.79 3gq8 n GLU 129 Ca 0.04 0.02 0.15 0.00 -0.16 0.00 0.00 57.16 57.22 3gq8 n GLU 129 Cb 0.26 -1.50 0.71 0.00 1.43 0.00 0.00 31.44 32.33 3gq8 n GLU 129 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3gq8 h SER 130 N 0.00 0.00 0.00 -1.84 4.64 -1.01 -3.47 113.55 111.88 3gq8 h SER 130 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gq8 h SER 130 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3gq8 h SER 130 CO 0.00 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 176.65 3gq8 n GLY 131 N -0.22 1.68 3.89 -0.77 0.00 -1.26 -5.06 105.19 103.45 3gq8 n GLY 131 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 3gq8 n GLY 131 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gq8 s PHE 132 N -2.34 3.49 0.38 1.61 0.40 -1.26 -5.05 117.98 115.20 3gq8 s PHE 132 Ca 0.00 0.88 -0.28 0.00 -0.60 0.00 0.00 56.93 56.93 3gq8 s PHE 132 Cb 0.00 -2.31 -0.11 0.00 0.51 0.00 0.00 43.02 41.11 3gq8 s PHE 132 CO 0.00 -0.04 1.43 -2.30 0.70 0.00 0.00 175.22 175.01 3gq8 n PRO 133 N -1.34 2.49 -4.37 0.24 -0.02 -1.26 -4.78 135.00 125.96 3gq8 n PRO 133 Ca 0.01 0.87 -0.34 0.00 -2.02 0.00 0.00 63.50 62.02 3gq8 n PRO 133 Cb 0.54 -2.57 -0.12 0.00 -0.02 0.00 0.00 33.50 31.33 3gq8 n PRO 133 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3gq8 s VAL 134 N -1.12 4.00 -0.09 -1.45 1.01 0.67 -0.68 120.40 122.73 3gq8 s VAL 134 Ca 0.54 -0.32 -0.00 0.00 0.00 0.00 0.00 61.98 62.20 3gq8 s VAL 134 Cb -0.50 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 3gq8 s VAL 134 CO 0.63 0.50 -0.06 -0.47 0.00 0.00 0.00 175.10 175.70 3gq8 s TYR 135 N 0.20 2.96 -0.30 5.22 5.04 0.68 -1.02 117.35 130.13 3gq8 s TYR 135 Ca -0.01 -0.09 -0.03 0.00 -2.44 0.00 0.00 57.07 54.50 3gq8 s TYR 135 Cb -0.14 -1.78 0.04 0.00 0.35 0.00 0.00 41.96 40.43 3gq8 s TYR 135 CO 0.03 0.22 0.02 0.08 -1.34 0.00 0.00 175.55 174.56 3gq8 s VAL 136 N -0.47 3.25 0.03 3.14 1.01 0.68 -1.48 120.40 126.55 3gq8 s VAL 136 Ca 0.07 -1.21 -0.00 0.00 0.00 0.00 0.00 61.98 60.84 3gq8 s VAL 136 Cb -0.12 -2.81 0.01 0.00 0.00 0.00 0.00 36.38 33.46 3gq8 s VAL 136 CO 0.02 -0.06 0.04 -0.81 0.00 0.00 0.00 175.10 174.29 3gq8 n PRO 137 N 4.70 0.15 -1.66 2.72 -0.04 -1.26 -0.65 135.00 138.95 3gq8 n PRO 137 Ca -0.14 -0.07 -0.45 0.00 -0.04 0.00 0.00 63.50 62.80 3gq8 n PRO 137 Cb 0.45 -0.03 -0.03 0.00 -0.04 0.00 0.00 33.50 33.84 3gq8 n PRO 137 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 3gq8 n TYR 138 N -1.87 2.11 0.00 0.54 9.36 -1.26 -4.25 117.16 121.78 3gq8 n TYR 138 Ca 0.00 0.43 0.00 0.00 3.32 0.00 0.00 57.90 61.66 3gq8 n TYR 138 Cb 0.02 -2.46 0.00 0.00 -0.63 0.00 0.00 39.34 36.27 3gq8 n TYR 138 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3gq8 n GLY 139 N 2.30 2.61 3.27 2.98 0.00 -0.46 -4.94 105.19 110.95 3gq8 n GLY 139 Ca 0.13 -1.24 -0.39 0.00 0.00 0.00 0.00 46.02 44.51 3gq8 n GLY 139 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gq8 s THR 140 N -2.00 4.11 -0.47 2.61 2.01 -1.08 -0.90 115.64 119.92 3gq8 s THR 140 Ca 0.00 -1.34 -0.18 0.00 0.31 0.00 0.00 61.69 60.48 3gq8 s THR 140 Cb 0.00 -3.47 0.05 0.00 0.01 0.00 0.00 72.50 69.09 3gq8 s THR 140 CO 0.00 -0.43 0.53 -0.36 -0.69 0.00 0.00 174.62 173.68 3gq8 s PHE 141 N 1.41 3.12 0.39 4.92 0.40 0.98 -0.93 117.98 128.28 3gq8 s PHE 141 Ca 0.02 -0.55 -0.21 0.00 -0.60 0.00 0.00 56.93 55.59 3gq8 s PHE 141 Cb -0.22 -3.29 -0.11 0.00 0.51 0.00 0.00 43.02 39.91 3gq8 s PHE 141 CO 0.02 -0.89 0.92 -1.64 0.70 0.00 0.00 175.22 174.33 3gq8 s MET 142 N 2.32 4.28 -0.07 0.44 -1.94 -1.25 -1.34 119.30 121.73 3gq8 s MET 142 Ca 0.12 1.11 -0.04 0.00 -1.71 0.00 0.00 55.69 55.17 3gq8 s MET 142 Cb -0.19 -2.34 0.03 0.00 2.01 0.00 0.00 34.83 34.34 3gq8 s MET 142 CO 0.12 0.06 0.18 0.54 -0.01 0.00 0.00 175.02 175.90 3gq8 s VAL 143 N -2.03 -0.03 -0.94 -6.03 0.11 -0.30 -0.38 120.40 110.79 3gq8 s VAL 143 Ca 0.58 0.12 0.23 0.00 -2.93 0.00 0.00 61.98 59.98 3gq8 s VAL 143 Cb -0.11 -0.28 -0.12 0.00 -1.53 0.00 0.00 36.38 34.35 3gq8 s VAL 143 CO 0.16 0.05 1.13 -1.54 -3.33 0.00 0.00 175.10 171.57 3gq8 n SER 144 N 3.86 0.73 -4.01 3.54 3.41 -1.26 -1.05 113.62 118.84 3gq8 n SER 144 Ca -0.22 -0.58 -0.10 0.00 -0.26 0.00 0.00 58.87 57.72 3gq8 n SER 144 Cb 0.54 0.66 -0.07 0.00 -0.26 0.00 0.00 64.21 65.09 3gq8 n SER 144 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gq8 s ARG 145 N -3.03 1.34 0.56 4.33 1.70 -1.26 -4.74 118.95 117.85 3gq8 s ARG 145 Ca 0.09 -1.27 -0.21 0.00 -0.47 0.00 0.00 55.73 53.87 3gq8 s ARG 145 Cb 0.16 0.41 -0.04 0.00 -0.57 0.00 0.00 34.95 34.91 3gq8 s ARG 145 CO 0.79 -0.52 1.35 0.20 -1.08 0.00 0.00 175.30 176.04 3gq8 s GLY 146 N -3.02 2.89 -0.37 3.88 0.00 -1.26 -4.97 107.32 104.47 3gq8 s GLY 146 Ca 0.23 1.33 -0.24 0.00 0.00 0.00 0.00 44.72 46.03 3gq8 s GLY 146 CO 0.06 1.84 0.84 -0.42 0.00 0.00 0.00 173.10 175.41 3gq8 s ILE 147 N -1.31 4.67 -0.04 0.90 1.01 0.49 -4.97 121.20 121.95 3gq8 s ILE 147 Ca 0.73 0.97 -0.19 0.00 0.00 0.00 0.00 60.65 62.17 3gq8 s ILE 147 Cb -0.40 -4.27 -0.05 0.00 0.01 0.00 0.00 42.46 37.75 3gq8 s ILE 147 CO 0.47 -0.50 0.52 -0.54 0.00 0.00 0.00 174.94 174.89 3gq8 s LYS 148 N 3.26 4.25 -0.21 2.79 1.02 -1.26 -1.52 119.74 128.08 3gq8 s LYS 148 Ca 0.34 0.57 -0.04 0.00 0.02 0.00 0.00 55.97 56.86 3gq8 s LYS 148 Cb -0.13 -3.35 -0.01 0.00 -0.52 0.00 0.00 37.83 33.82 3gq8 s LYS 148 CO 0.18 0.36 -0.05 -0.51 -0.92 0.00 0.00 175.35 174.41 3gq8 s LEU 149 N -0.07 2.91 0.89 3.17 1.43 0.47 -4.78 118.68 122.71 3gq8 s LEU 149 Ca 0.28 -0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 52.89 3gq8 s LEU 149 Cb -0.17 -1.73 0.17 0.00 0.03 0.00 0.00 46.19 44.49 3gq8 s LEU 149 CO 0.14 0.01 1.24 -2.16 0.23 0.00 0.00 176.35 175.80 3gq8 s PRO 150 N 1.30 0.98 0.73 1.29 0.04 -1.26 -0.22 135.00 137.86 3gq8 s PRO 150 Ca 0.04 -0.53 -0.15 0.00 0.04 0.00 0.00 61.00 60.40 3gq8 s PRO 150 Cb -0.14 -1.97 0.04 0.00 0.04 0.00 0.00 34.50 32.47 3gq8 s PRO 150 CO -0.02 -2.13 1.19 -1.12 0.04 0.00 0.00 177.00 174.96 3gq8 s SER 151 N -4.83 4.24 -1.30 6.66 0.01 -1.26 -3.69 113.70 113.53 3gq8 s SER 151 Ca 0.71 2.29 -0.03 0.00 1.31 0.00 0.00 55.95 60.23 3gq8 s SER 151 Cb -0.05 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.61 3gq8 s SER 151 CO 0.51 -2.23 0.94 0.59 0.41 0.00 0.00 173.24 173.46 3gq8 n ASN 152 N -2.79 -2.85 -4.79 2.44 3.02 0.19 -4.95 115.26 105.53 3gq8 n ASN 152 Ca 0.13 -0.69 -0.36 0.00 -0.03 0.00 0.00 54.58 53.63 3gq8 n ASN 152 Cb 0.51 -4.63 -0.07 0.00 -0.61 0.00 0.00 39.78 34.97 3gq8 n ASN 152 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3gq8 s THR 153 N -3.44 5.40 -0.22 3.41 2.01 -0.66 -5.00 115.64 117.14 3gq8 s THR 153 Ca 0.18 0.18 0.01 0.00 0.31 0.00 0.00 61.69 62.37 3gq8 s THR 153 Cb -0.08 -3.41 0.04 0.00 0.01 0.00 0.00 72.50 69.05 3gq8 s THR 153 CO 0.77 0.53 -0.14 -0.69 -0.69 0.00 0.00 174.62 174.39 3gq8 s VAL 154 N -0.29 2.23 -0.21 3.82 1.01 -1.26 -0.87 120.40 124.83 3gq8 s VAL 154 Ca 0.11 -1.21 0.00 0.00 0.00 0.00 0.00 61.98 60.88 3gq8 s VAL 154 Cb -0.12 -2.11 0.05 0.00 0.00 0.00 0.00 36.38 34.21 3gq8 s VAL 154 CO 0.01 0.27 -0.07 -0.22 0.00 0.00 0.00 175.10 175.10 3gq8 s LEU 155 N 1.22 2.21 0.01 3.92 2.96 -0.14 -0.24 118.68 128.62 3gq8 s LEU 155 Ca -0.01 -0.95 0.05 0.00 -0.22 0.00 0.00 54.13 53.00 3gq8 s LEU 155 Cb -0.16 -1.11 -0.02 0.00 0.50 0.00 0.00 46.19 45.40 3gq8 s LEU 155 CO -0.09 -0.20 -0.15 0.28 -1.32 0.00 0.00 176.35 174.87 3gq8 s THR 156 N 1.47 1.20 0.52 3.68 -1.32 -0.19 -1.73 115.64 119.27 3gq8 s THR 156 Ca -0.03 -0.81 0.06 0.00 -1.21 0.00 0.00 61.69 59.70 3gq8 s THR 156 Cb -0.17 -1.03 0.03 0.00 -1.51 0.00 0.00 72.50 69.81 3gq8 s THR 156 CO -0.07 0.21 0.40 -0.83 -2.21 0.00 0.00 174.62 172.12 3gq8 s GLY 157 N -0.69 2.32 0.21 6.08 0.00 0.03 -0.23 107.32 115.03 3gq8 s GLY 157 Ca 0.05 -1.41 0.23 0.00 0.00 0.00 0.00 44.72 43.59 3gq8 s GLY 157 CO 0.00 -1.90 1.70 0.00 0.00 0.00 0.00 173.10 172.91 3gq8 n ALA 158 N -1.73 1.82 0.00 3.20 0.00 0.18 -4.73 120.51 119.24 3gq8 n ALA 158 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3gq8 n ALA 158 Cb 0.64 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.70 3gq8 n ALA 158 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gq8 n GLY 159 N 0.34 3.79 3.69 0.00 0.00 -0.19 -4.79 105.19 108.03 3gq8 n GLY 159 Ca 0.03 -1.64 -0.43 0.00 0.00 0.00 0.00 46.02 43.98 3gq8 n GLY 159 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gq8 n LYS 160 N -1.91 2.08 -2.20 1.61 5.02 -1.26 -1.46 118.16 120.04 3gq8 n LYS 160 Ca 0.00 0.73 -0.19 0.00 -2.02 0.00 0.00 58.31 56.84 3gq8 n LYS 160 Cb 0.00 -2.32 -0.03 0.00 -0.02 0.00 0.00 35.03 32.66 3gq8 n LYS 160 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3gq8 n ARG 161 N 0.86 -1.73 0.06 1.97 1.74 -1.26 -4.73 116.66 113.57 3gq8 n ARG 161 Ca 0.06 0.95 0.00 0.00 -0.77 0.00 0.00 57.85 58.10 3gq8 n ARG 161 Cb 0.35 -5.53 0.00 0.00 -1.02 0.00 0.00 32.46 26.26 3gq8 n ARG 161 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3gq8 n ASN 162 N -1.76 0.11 -4.58 0.55 2.85 -0.82 -4.96 115.26 106.64 3gq8 n ASN 162 Ca -0.21 0.19 -0.42 0.00 -0.11 0.00 0.00 54.58 54.02 3gq8 n ASN 162 Cb 0.66 0.09 -0.06 0.00 1.24 0.00 0.00 39.78 41.71 3gq8 n ASN 162 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3gq8 s ALA 163 N -2.00 3.46 -0.08 5.20 0.00 -0.53 -1.36 121.76 126.44 3gq8 s ALA 163 Ca 0.00 -0.69 0.04 0.00 0.00 0.00 0.00 51.96 51.31 3gq8 s ALA 163 Cb 0.00 -3.28 -0.00 0.00 0.00 0.00 0.00 23.12 19.84 3gq8 s ALA 163 CO 0.00 -1.38 -0.22 0.08 0.00 0.00 0.00 175.76 174.24 3gq8 s VAL 164 N 2.93 1.88 -0.14 0.00 1.01 -0.07 -0.96 120.40 125.05 3gq8 s VAL 164 Ca 0.29 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.35 3gq8 s VAL 164 Cb -0.14 -1.62 -0.00 0.00 0.00 0.00 0.00 36.38 34.62 3gq8 s VAL 164 CO 0.15 0.52 -0.17 -0.63 0.00 0.00 0.00 175.10 174.98 3gq8 s ILE 165 N 0.25 2.58 -0.03 2.22 1.01 0.46 -0.01 121.20 127.67 3gq8 s ILE 165 Ca -0.14 -0.81 -0.02 0.00 0.00 0.00 0.00 60.65 59.69 3gq8 s ILE 165 Cb -0.16 -2.07 0.02 0.00 0.01 0.00 0.00 42.46 40.26 3gq8 s ILE 165 CO 0.07 0.53 0.07 -0.60 0.00 0.00 0.00 174.94 175.01 3gq8 s ARG 166 N 0.69 0.04 0.34 2.79 3.52 -0.45 -0.31 118.95 125.57 3gq8 s ARG 166 Ca -0.08 0.19 -0.29 0.00 -0.13 0.00 0.00 55.73 55.43 3gq8 s ARG 166 Cb -0.16 -0.11 -0.11 0.00 -1.56 0.00 0.00 34.95 33.02 3gq8 s ARG 166 CO 0.02 -0.10 1.40 -0.06 -0.81 0.00 0.00 175.30 175.74 3gq8 s PHE 167 N 0.66 2.85 0.61 5.12 2.99 -1.05 -1.14 117.98 128.01 3gq8 s PHE 167 Ca -0.05 1.27 -0.16 0.00 0.00 0.00 0.00 56.93 57.99 3gq8 s PHE 167 Cb -0.07 -3.84 -0.03 0.00 0.00 0.00 0.00 43.02 39.08 3gq8 s PHE 167 CO -0.02 -2.43 1.08 -1.64 -0.00 0.00 0.00 175.22 172.20 3gq8 s MET 168 N -1.78 3.17 0.56 0.44 -1.94 -0.21 -4.73 119.30 114.81 3gq8 s MET 168 Ca 0.52 1.28 0.27 0.00 -1.71 0.00 0.00 55.69 56.04 3gq8 s MET 168 Cb -0.43 -2.01 1.49 0.00 2.01 0.00 0.00 34.83 35.89 3gq8 s MET 168 CO 0.56 -0.94 2.00 -0.44 -0.01 0.00 0.00 175.02 176.19 3gq8 h ASP 169 N 0.36 0.00 0.18 3.03 3.32 -1.94 -2.23 116.42 119.14 3gq8 h ASP 169 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 3gq8 h ASP 169 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 3gq8 h ASP 169 CO 0.56 0.00 -0.10 -1.54 -1.72 0.00 0.00 179.24 176.44 3gq8 n SER 170 N -4.06 0.86 -4.72 6.45 3.41 -1.26 -4.91 113.62 109.39 3gq8 n SER 170 Ca 0.07 -0.97 -0.42 0.00 -0.26 0.00 0.00 58.87 57.29 3gq8 n SER 170 Cb 0.54 0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.47 3gq8 n SER 170 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3gq8 s VAL 171 N -2.29 3.19 0.00 -3.33 1.01 -0.84 -5.02 120.40 113.11 3gq8 s VAL 171 Ca 0.32 0.89 0.00 0.00 0.00 0.00 0.00 61.98 63.19 3gq8 s VAL 171 Cb 0.20 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 33.01 3gq8 s VAL 171 CO 0.43 0.09 0.00 0.61 0.00 0.00 0.00 175.10 176.24 3gq8 n GLY 172 N 3.12 -0.24 3.77 4.51 0.00 -1.26 -5.02 105.19 110.07 3gq8 n GLY 172 Ca 0.10 -1.47 -0.29 0.00 0.00 0.00 0.00 46.02 44.36 3gq8 n GLY 172 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gq8 s ARG 173 N 0.00 2.84 0.00 1.61 1.81 -1.26 -4.78 118.95 119.17 3gq8 s ARG 173 Ca 0.00 -0.78 0.00 0.00 -1.72 0.00 0.00 55.73 53.23 3gq8 s ARG 173 Cb 0.00 -2.67 0.00 0.00 -0.45 0.00 0.00 34.95 31.83 3gq8 s ARG 173 CO 0.00 0.53 0.00 0.41 -0.68 0.00 0.00 175.30 175.56 3gq8 n GLY 174 N 0.17 2.09 3.65 -3.53 0.00 -1.26 -5.10 105.19 101.21 3gq8 n GLY 174 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 3gq8 n GLY 174 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gq8 s GLU 175 N -0.10 2.89 0.62 1.61 2.02 -1.26 -4.31 118.70 120.17 3gq8 s GLU 175 Ca 0.00 -0.47 -0.16 0.00 0.02 0.00 0.00 54.97 54.37 3gq8 s GLU 175 Cb 0.00 -2.71 -0.02 0.00 0.10 0.00 0.00 34.13 31.50 3gq8 s GLU 175 CO 0.00 0.69 1.09 -1.12 0.02 0.00 0.00 175.26 175.93 3gq8 s SER 176 N -0.88 5.46 0.19 -0.19 0.01 -1.26 -3.95 113.70 113.08 3gq8 s SER 176 Ca 0.13 1.93 -0.08 0.00 1.31 0.00 0.00 55.95 59.24 3gq8 s SER 176 Cb -0.11 -2.55 0.11 0.00 0.21 0.00 0.00 66.02 63.68 3gq8 s SER 176 CO 0.02 -1.39 1.68 0.25 0.41 0.00 0.00 173.24 174.21 3gq8 h LEU 177 N 0.31 1.05 -7.52 2.44 6.46 -1.33 -3.39 115.31 113.35 3gq8 h LEU 177 Ca -0.47 -0.27 -0.26 0.00 -0.12 0.00 0.00 57.88 56.76 3gq8 h LEU 177 Cb 1.24 -0.28 -0.32 0.00 -0.73 0.00 0.00 40.66 40.57 3gq8 h LEU 177 CO 0.56 1.06 -0.66 -0.32 -0.62 0.00 0.00 178.44 178.46 3gq8 s MET 178 N -5.14 0.03 0.16 1.25 0.00 -0.52 -0.38 119.30 114.70 3gq8 s MET 178 Ca -0.12 0.24 -0.23 0.00 0.00 0.00 0.00 55.69 55.58 3gq8 s MET 178 Cb 0.14 -0.17 0.07 0.00 0.00 0.00 0.00 34.83 34.87 3gq8 s MET 178 CO 0.85 -0.14 0.63 1.52 0.00 0.00 0.00 175.02 177.89 3gq8 s TYR 179 N 0.90 -0.49 0.35 4.11 1.13 -0.57 -1.41 117.35 121.37 3gq8 s TYR 179 Ca -0.07 0.27 -0.27 0.00 -1.41 0.00 0.00 57.07 55.59 3gq8 s TYR 179 Cb -0.10 0.57 -0.09 0.00 -1.10 0.00 0.00 41.96 41.24 3gq8 s TYR 179 CO -0.04 -0.86 1.10 0.54 -2.51 0.00 0.00 175.55 173.79 3gq8 s ASN 180 N -2.75 6.90 0.14 -0.18 2.20 -1.21 -0.40 114.94 119.65 3gq8 s ASN 180 Ca 0.02 2.22 -0.17 0.00 -0.94 0.00 0.00 52.86 53.99 3gq8 s ASN 180 Cb -0.01 -2.61 -0.01 0.00 -2.00 0.00 0.00 41.25 36.61 3gq8 s ASN 180 CO -0.11 -0.40 1.76 1.05 -2.94 0.00 0.00 177.10 176.47 3gq8 h GLU 181 N 3.08 0.48 -5.58 3.55 -0.00 -0.90 -3.35 114.58 111.85 3gq8 h GLU 181 Ca -0.48 -0.05 -0.64 0.00 -0.00 0.00 0.00 59.36 58.19 3gq8 h GLU 181 Cb 1.22 -0.10 -0.14 0.00 -0.00 0.00 0.00 28.75 29.73 3gq8 h GLU 181 CO 0.64 0.37 1.14 1.21 -0.00 0.00 0.00 179.01 182.37 3gq8 s ASN 182 N -5.60 6.54 0.39 3.06 3.84 -1.26 -4.84 114.94 117.07 3gq8 s ASN 182 Ca -0.13 -1.69 0.11 0.00 0.21 0.00 0.00 52.86 51.35 3gq8 s ASN 182 Cb 0.10 -2.48 0.80 0.00 -0.55 0.00 0.00 41.25 39.12 3gq8 s ASN 182 CO 0.72 -1.30 1.91 0.58 -2.79 0.00 0.00 177.10 176.22 3gq8 h VAL 183 N 6.29 1.19 0.04 -5.21 2.07 -1.88 -0.67 116.25 118.08 3gq8 h VAL 183 Ca 0.15 -0.87 -0.38 0.00 0.82 0.00 0.00 66.70 66.42 3gq8 h VAL 183 Cb 1.02 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 32.08 3gq8 h VAL 183 CO 1.26 0.26 -2.28 0.35 0.02 0.00 0.00 177.57 177.18 3gq8 n THR 184 N -4.24 1.60 0.41 2.57 -2.24 -1.26 -0.47 114.28 110.65 3gq8 n THR 184 Ca -0.01 -0.57 0.04 0.00 -2.27 0.00 0.00 64.05 61.24 3gq8 n THR 184 Cb 0.30 -1.58 -0.03 0.00 -2.10 0.00 0.00 70.33 66.92 3gq8 n THR 184 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3gq8 n THR 185 N -3.43 0.00 0.00 4.28 -2.24 -1.25 -4.15 114.28 107.49 3gq8 n THR 185 Ca -0.41 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 3gq8 n THR 185 Cb 0.99 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 70.26 3gq8 n THR 185 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gq8 n GLY 186 N 1.09 -0.20 3.36 3.38 0.00 -0.26 -4.85 105.19 107.73 3gq8 n GLY 186 Ca 0.02 -1.85 -0.19 0.00 0.00 0.00 0.00 46.02 44.00 3gq8 n GLY 186 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gq8 s ASN 187 N -1.22 1.65 0.11 1.61 0.01 -1.25 -4.66 114.94 111.18 3gq8 s ASN 187 Ca 0.00 -1.48 0.06 0.00 -0.71 0.00 0.00 52.86 50.74 3gq8 s ASN 187 Cb 0.00 0.25 -0.04 0.00 0.41 0.00 0.00 41.25 41.87 3gq8 s ASN 187 CO 0.00 -0.79 -0.15 -1.61 -1.51 0.00 0.00 177.10 173.04 3gq8 s GLU 188 N -3.90 1.00 -0.65 -0.60 2.02 -1.26 -1.49 118.70 113.81 3gq8 s GLU 188 Ca 0.35 -1.17 -0.03 0.00 0.02 0.00 0.00 54.97 54.14 3gq8 s GLU 188 Cb 0.06 -0.96 0.00 0.00 0.10 0.00 0.00 34.13 33.34 3gq8 s GLU 188 CO 0.15 0.20 0.65 0.09 0.02 0.00 0.00 175.26 176.37 3gq8 n ASN 189 N 0.76 -7.61 -4.09 -0.19 3.02 -0.37 -0.64 115.26 106.15 3gq8 n ASN 189 Ca -0.17 0.05 -0.30 0.00 -0.03 0.00 0.00 54.58 54.13 3gq8 n ASN 189 Cb 0.56 -5.17 -0.17 0.00 -0.61 0.00 0.00 39.78 34.40 3gq8 n ASN 189 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3gq8 s ILE 190 N -2.91 1.69 -0.26 2.41 1.01 -0.61 -1.25 121.20 121.29 3gq8 s ILE 190 Ca 0.05 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 59.96 3gq8 s ILE 190 Cb -0.01 -1.53 0.07 0.00 0.01 0.00 0.00 42.46 40.99 3gq8 s ILE 190 CO 0.72 0.48 -0.03 -0.36 0.00 0.00 0.00 174.94 175.75 3gq8 s PHE 191 N 1.02 2.63 -0.14 3.97 0.40 -0.05 -1.00 117.98 124.81 3gq8 s PHE 191 Ca -0.05 -2.00 0.01 0.00 -0.60 0.00 0.00 56.93 54.29 3gq8 s PHE 191 Cb -0.15 -1.82 -0.01 0.00 0.51 0.00 0.00 43.02 41.55 3gq8 s PHE 191 CO -0.03 -0.82 -0.15 -0.51 0.70 0.00 0.00 175.22 174.40 3gq8 s LEU 192 N 1.31 2.53 -0.05 -0.37 1.43 -0.02 -0.97 118.68 122.54 3gq8 s LEU 192 Ca -0.02 -0.42 -0.08 0.00 -1.03 0.00 0.00 54.13 52.57 3gq8 s LEU 192 Cb -0.19 -1.56 0.02 0.00 0.03 0.00 0.00 46.19 44.48 3gq8 s LEU 192 CO -0.08 0.13 0.21 -0.44 0.23 0.00 0.00 176.35 176.39 3gq8 s SER 193 N 0.56 -0.16 -0.82 2.29 0.01 -0.71 -1.04 113.70 113.83 3gq8 s SER 193 Ca -0.09 0.24 -0.04 0.00 1.31 0.00 0.00 55.95 57.37 3gq8 s SER 193 Cb -0.16 0.37 -0.04 0.00 0.21 0.00 0.00 66.02 66.40 3gq8 s SER 193 CO 0.04 -0.19 0.71 -1.20 0.41 0.00 0.00 173.24 173.01 3gq8 n SER 194 N 2.41 -4.95 -3.75 2.44 7.64 -0.64 -0.79 113.62 115.97 3gq8 n SER 194 Ca -0.16 -0.53 -0.09 0.00 1.01 0.00 0.00 58.87 59.10 3gq8 n SER 194 Cb 0.57 -4.08 -0.03 0.00 -1.01 0.00 0.00 64.21 59.67 3gq8 n SER 194 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 3gq8 s PHE 195 N -3.29 -0.21 -0.17 1.43 -0.12 -1.11 -1.02 117.98 113.48 3gq8 s PHE 195 Ca 0.29 -0.17 -0.08 0.00 -0.05 0.00 0.00 56.93 56.93 3gq8 s PHE 195 Cb -0.04 0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 42.89 3gq8 s PHE 195 CO 0.56 -1.08 0.09 0.99 -0.05 0.00 0.00 175.22 175.73 3gq8 s THR 196 N -3.88 5.05 -0.27 -4.49 2.01 -0.13 -1.68 115.64 112.24 3gq8 s THR 196 Ca 0.09 0.05 -0.09 0.00 0.31 0.00 0.00 61.69 62.06 3gq8 s THR 196 Cb -0.04 -3.26 -0.02 0.00 0.01 0.00 0.00 72.50 69.19 3gq8 s THR 196 CO 0.01 0.49 0.11 -0.76 -0.69 0.00 0.00 174.62 173.79 3gq8 s LEU 197 N 0.05 3.74 -0.32 4.42 1.43 0.11 -0.41 118.68 127.71 3gq8 s LEU 197 Ca 0.07 -0.28 -0.03 0.00 -1.03 0.00 0.00 54.13 52.86 3gq8 s LEU 197 Cb -0.12 -1.98 0.05 0.00 0.03 0.00 0.00 46.19 44.18 3gq8 s LEU 197 CO 0.00 -0.09 0.05 -0.62 0.23 0.00 0.00 176.35 175.92 3gq8 s ASP 198 N 1.63 5.05 0.00 2.29 3.68 0.58 -0.65 116.67 129.25 3gq8 s ASP 198 Ca 0.06 -1.28 0.22 0.00 2.13 0.00 0.00 52.55 53.68 3gq8 s ASP 198 Cb -0.16 -1.77 0.96 0.00 -1.45 0.00 0.00 42.92 40.50 3gq8 s ASP 198 CO 0.06 -0.30 1.72 0.61 0.13 0.00 0.00 175.17 177.38 3gq8 n GLY 199 N 4.68 -1.27 4.05 2.66 0.00 -0.59 -2.54 105.19 112.19 3gq8 n GLY 199 Ca -0.12 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 3gq8 n GLY 199 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3gq8 n ASN 200 N -1.50 -2.27 0.06 1.61 4.05 -1.14 -4.58 115.26 111.50 3gq8 n ASN 200 Ca 0.05 -0.97 0.10 0.00 0.45 0.00 0.00 54.58 54.22 3gq8 n ASN 200 Cb 0.26 -3.10 0.56 0.00 1.23 0.00 0.00 39.78 38.72 3gq8 n ASN 200 CO 0.00 0.00 0.00 -1.13 -3.05 0.00 0.00 177.26 173.08 3gq8 h ASN 201 N -1.75 0.22 -1.13 1.20 -1.24 -1.74 -2.55 115.58 108.59 3gq8 h ASN 201 Ca -0.61 -0.00 0.41 0.00 0.71 0.00 0.00 56.30 56.81 3gq8 h ASN 201 Cb 1.38 -0.05 -0.16 0.00 0.73 0.00 0.00 38.32 40.22 3gq8 h ASN 201 CO 0.69 0.14 0.67 0.11 -1.29 0.00 0.00 177.43 177.75 3gq8 h LYS 202 N 0.25 0.08 0.00 6.67 1.57 -1.84 -0.78 116.57 122.53 3gq8 h LYS 202 Ca 0.15 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3gq8 h LYS 202 Cb 0.28 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3gq8 h LYS 202 CO -0.03 0.06 0.01 0.07 -0.57 0.00 0.00 179.45 178.98 3gq8 h ARG 203 N 0.09 0.00 -0.02 3.15 0.11 -1.80 -1.45 114.38 114.45 3gq8 h ARG 203 Ca 0.82 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.90 3gq8 h ARG 203 Cb 2.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.37 3gq8 h ARG 203 CO -0.61 0.00 -0.11 1.28 0.10 0.00 0.00 179.97 180.63 3gq8 n LEU 204 N -2.66 2.33 0.00 0.08 4.77 -0.30 -5.03 117.00 116.19 3gq8 n LEU 204 Ca -0.02 -0.78 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 3gq8 n LEU 204 Cb 0.06 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3gq8 n LEU 204 CO 0.15 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 3gq8 n GLY 205 N 1.32 -0.77 3.92 -0.72 0.00 -0.55 -4.97 105.19 103.42 3gq8 n GLY 205 Ca 0.14 -1.71 -0.27 0.00 0.00 0.00 0.00 46.02 44.19 3gq8 n GLY 205 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gq8 s GLN 206 N -1.23 3.57 0.00 1.61 -1.52 -1.26 -4.50 119.66 116.32 3gq8 s GLN 206 Ca 0.00 -0.03 0.00 0.00 -1.95 0.00 0.00 55.36 53.38 3gq8 s GLN 206 Cb 0.00 -2.56 0.00 0.00 -0.22 0.00 0.00 33.01 30.23 3gq8 s GLN 206 CO 0.00 0.06 0.00 0.41 -0.25 0.00 0.00 175.29 175.51 3gq8 n GLY 207 N -1.61 0.74 3.64 3.09 0.00 -1.26 -5.06 105.19 104.73 3gq8 n GLY 207 Ca -0.02 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 3gq8 n GLY 207 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gq8 s ILE 208 N -2.00 4.22 0.15 -0.61 1.01 -1.26 -5.09 121.20 117.62 3gq8 s ILE 208 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.38 3gq8 s ILE 208 Cb 0.00 -2.80 -0.00 0.00 0.01 0.00 0.00 42.46 39.67 3gq8 s ILE 208 CO 0.00 0.57 0.01 -0.24 0.00 0.00 0.00 174.94 175.28 3gq8 n SER 209 N 2.50 2.27 -4.71 3.58 2.88 -1.26 -4.80 113.62 114.08 3gq8 n SER 209 Ca -0.18 -1.69 -0.41 0.00 -1.33 0.00 0.00 58.87 55.26 3gq8 n SER 209 Cb 0.53 0.13 0.01 0.00 -0.75 0.00 0.00 64.21 64.13 3gq8 n SER 209 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3gq8 n GLY 210 N 2.92 0.64 0.26 0.46 0.00 -1.21 -4.85 105.19 103.40 3gq8 n GLY 210 Ca -0.06 0.24 0.16 0.00 0.00 0.00 0.00 46.02 46.36 3gq8 n GLY 210 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3gq8 h ILE 211 N 2.29 0.00 0.00 -0.61 2.10 -1.96 -3.46 117.51 115.87 3gq8 h ILE 211 Ca -0.48 -0.59 0.00 0.00 1.08 0.00 0.00 64.86 64.87 3gq8 h ILE 211 Cb 1.29 1.58 0.00 0.00 -1.09 0.00 0.00 36.82 38.59 3gq8 h ILE 211 CO 0.61 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 178.29 3gq8 n GLY 212 N 0.26 3.08 7.00 8.18 0.00 -1.26 -5.08 105.19 117.37 3gq8 n GLY 212 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3gq8 n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gq8 n GLY 213 N -0.49 2.84 0.29 -0.02 0.00 -1.26 -2.63 105.19 103.91 3gq8 n GLY 213 Ca 0.00 -0.40 0.07 0.00 0.00 0.00 0.00 46.02 45.69 3gq8 n GLY 213 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gq8 n SER 214 N 1.28 0.85 -4.75 1.61 3.41 0.31 -4.88 113.62 111.45 3gq8 n SER 214 Ca 0.00 -1.75 -0.41 0.00 -0.26 0.00 0.00 58.87 56.45 3gq8 n SER 214 Cb 0.00 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 63.84 3gq8 n SER 214 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3gq8 s ARG 215 N -1.84 4.39 0.00 4.33 0.52 -1.08 -4.09 118.95 121.18 3gq8 s ARG 215 Ca 0.22 2.12 0.00 0.00 -0.52 0.00 0.00 55.73 57.55 3gq8 s ARG 215 Cb 0.11 -3.13 0.00 0.00 0.52 0.00 0.00 34.95 32.45 3gq8 s ARG 215 CO 0.17 -0.19 0.00 0.39 0.02 0.00 0.00 175.30 175.69 3gq8 n GLU 216 N 1.66 0.00 -1.75 3.54 1.02 -1.25 -4.30 120.64 119.55 3gq8 n GLU 216 Ca 0.03 0.11 -0.30 0.00 -0.02 0.00 0.00 57.16 56.98 3gq8 n GLU 216 Cb 0.42 -2.65 0.08 0.00 -0.02 0.00 0.00 31.44 29.27 3gq8 n GLU 216 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3gq8 s SER 217 N -2.73 4.77 0.15 1.62 0.01 -1.26 -1.38 113.70 114.89 3gq8 s SER 217 Ca 0.00 1.10 -0.11 0.00 1.31 0.00 0.00 55.95 58.25 3gq8 s SER 217 Cb 0.00 -1.80 0.00 0.00 0.21 0.00 0.00 66.02 64.43 3gq8 s SER 217 CO 0.00 -1.77 1.55 0.78 0.41 0.00 0.00 173.24 174.21 3gq8 h ASN 218 N -0.95 0.98 -3.28 2.44 4.21 -1.20 -1.79 115.58 115.99 3gq8 h ASN 218 Ca -0.46 -0.38 -0.41 0.00 1.21 0.00 0.00 56.30 56.25 3gq8 h ASN 218 Cb 1.28 -0.27 -0.38 0.00 -1.12 0.00 0.00 38.32 37.83 3gq8 h ASN 218 CO 0.63 1.14 -0.76 -0.22 -1.29 0.00 0.00 177.43 176.93 3gq8 s LEU 219 N -9.14 0.41 -0.13 1.61 2.96 -0.52 -1.44 118.68 112.42 3gq8 s LEU 219 Ca -0.12 -0.02 0.02 0.00 -0.22 0.00 0.00 54.13 53.80 3gq8 s LEU 219 Cb 0.12 -0.32 0.01 0.00 0.50 0.00 0.00 46.19 46.50 3gq8 s LEU 219 CO 0.86 -0.22 -0.20 -0.44 -1.32 0.00 0.00 176.35 175.03 3gq8 s SER 220 N 2.05 2.95 -0.22 3.68 0.01 -0.50 -0.86 113.70 120.81 3gq8 s SER 220 Ca 0.05 -0.56 -0.01 0.00 1.31 0.00 0.00 55.95 56.74 3gq8 s SER 220 Cb -0.12 -1.36 0.02 0.00 0.21 0.00 0.00 66.02 64.77 3gq8 s SER 220 CO -0.04 0.06 -0.11 -0.63 0.41 0.00 0.00 173.24 172.93 3gq8 s ILE 221 N 0.86 2.60 -0.17 1.44 -1.09 0.35 -3.34 121.20 121.85 3gq8 s ILE 221 Ca -0.07 -0.99 0.01 0.00 -2.23 0.00 0.00 60.65 57.37 3gq8 s ILE 221 Cb -0.15 -2.26 0.02 0.00 -1.58 0.00 0.00 42.46 38.49 3gq8 s ILE 221 CO -0.02 0.31 -0.16 -0.13 -1.23 0.00 0.00 174.94 173.71 3gq8 s ARG 222 N 1.31 2.56 -1.98 2.79 0.52 -1.26 -0.24 118.95 122.64 3gq8 s ARG 222 Ca 0.02 -0.71 0.00 0.00 -0.52 0.00 0.00 55.73 54.51 3gq8 s ARG 222 Cb -0.15 -2.34 0.00 0.00 0.52 0.00 0.00 34.95 32.98 3gq8 s ARG 222 CO -0.07 -0.25 0.00 0.00 0.02 0.00 0.00 175.30 175.00 3gq8 n ALA 223 N 4.70 -0.46 -2.49 2.13 0.00 -0.51 -4.09 120.51 119.78 3gq8 n ALA 223 Ca -0.18 0.25 -0.31 0.00 0.00 0.00 0.00 53.44 53.20 3gq8 n ALA 223 Cb 0.50 -2.12 -0.05 0.00 0.00 0.00 0.00 19.45 17.78 3gq8 n ALA 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gq8 s HIS 225 N -1.83 2.61 -0.48 0.00 3.76 -0.56 -0.27 115.29 118.53 3gq8 s HIS 225 Ca 0.45 -0.43 -0.01 0.00 -0.15 0.00 0.00 55.06 54.92 3gq8 s HIS 225 Cb -0.11 -1.65 0.00 0.00 1.11 0.00 0.00 32.58 31.93 3gq8 s HIS 225 CO 0.23 -0.02 0.47 0.09 -0.85 0.00 0.00 174.74 174.66 3gq8 n ASN 226 N 2.72 -5.95 -4.13 1.40 3.02 -0.59 -1.24 115.26 110.51 3gq8 n ASN 226 Ca -0.17 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.07 3gq8 n ASN 226 Cb 0.52 -3.93 -0.17 0.00 -0.61 0.00 0.00 39.78 35.59 3gq8 n ASN 226 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3gq8 s VAL 227 N -2.89 1.83 -0.20 2.41 1.01 -0.69 -1.57 120.40 120.30 3gq8 s VAL 227 Ca 0.02 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.16 3gq8 s VAL 227 Cb -0.01 -1.63 0.02 0.00 0.00 0.00 0.00 36.38 34.76 3gq8 s VAL 227 CO 0.51 0.51 -0.15 -0.31 0.00 0.00 0.00 175.10 175.65 3gq8 s TYR 228 N 0.83 2.88 -0.20 5.22 1.51 -0.17 -1.08 117.35 126.34 3gq8 s TYR 228 Ca -0.08 -1.57 0.02 0.00 -1.01 0.00 0.00 57.07 54.42 3gq8 s TYR 228 Cb -0.15 -1.97 0.03 0.00 -0.11 0.00 0.00 41.96 39.76 3gq8 s TYR 228 CO -0.01 -0.76 -0.17 0.42 -1.11 0.00 0.00 175.55 173.92 3gq8 s ILE 229 N 1.31 2.06 -0.01 2.71 1.01 0.84 -0.84 121.20 128.27 3gq8 s ILE 229 Ca 0.04 -1.14 0.00 0.00 0.00 0.00 0.00 60.65 59.55 3gq8 s ILE 229 Cb -0.14 -1.96 0.02 0.00 0.01 0.00 0.00 42.46 40.38 3gq8 s ILE 229 CO -0.10 0.35 0.02 -0.60 0.00 0.00 0.00 174.94 174.61 3gq8 s ARG 230 N 1.25 -0.02 -1.43 2.79 3.52 -0.21 -0.90 118.95 123.95 3gq8 s ARG 230 Ca 0.01 0.12 -0.08 0.00 -0.13 0.00 0.00 55.73 55.64 3gq8 s ARG 230 Cb -0.15 -0.16 0.05 0.00 -1.56 0.00 0.00 34.95 33.12 3gq8 s ARG 230 CO -0.10 -0.10 0.92 -0.25 -0.81 0.00 0.00 175.30 174.96 3gq8 n ASP 231 N 3.77 -3.76 -4.68 -2.12 8.00 -0.63 -1.63 116.55 115.51 3gq8 n ASP 231 Ca -0.22 -0.75 -0.35 0.00 0.71 0.00 0.00 54.79 54.18 3gq8 n ASP 231 Cb 0.54 -4.14 -0.09 0.00 -0.02 0.00 0.00 41.12 37.41 3gq8 n ASP 231 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3gq8 s ILE 232 N -3.42 4.69 -0.21 0.53 -1.09 -1.25 -2.29 121.20 118.15 3gq8 s ILE 232 Ca 0.42 -0.08 -0.06 0.00 -2.23 0.00 0.00 60.65 58.69 3gq8 s ILE 232 Cb -0.21 -3.06 -0.03 0.00 -1.58 0.00 0.00 42.46 37.59 3gq8 s ILE 232 CO 0.81 0.53 0.04 -0.70 -1.23 0.00 0.00 174.94 174.39 3gq8 s GLU 233 N -0.22 3.70 -0.22 2.79 2.12 -0.68 -1.20 118.70 124.99 3gq8 s GLU 233 Ca 0.07 -0.47 -0.04 0.00 0.36 0.00 0.00 54.97 54.89 3gq8 s GLU 233 Cb -0.12 -3.19 -0.01 0.00 0.26 0.00 0.00 34.13 31.07 3gq8 s GLU 233 CO 0.02 -0.00 -0.03 0.00 -0.54 0.00 0.00 175.26 174.71 3gq8 s ALA 234 N 1.08 2.86 0.06 6.30 0.00 0.13 0.10 121.76 132.28 3gq8 s ALA 234 Ca 0.03 -1.17 0.06 0.00 0.00 0.00 0.00 51.96 50.88 3gq8 s ALA 234 Cb -0.14 -1.75 -0.03 0.00 0.00 0.00 0.00 23.12 21.20 3gq8 s ALA 234 CO 0.02 -0.45 -0.17 0.08 0.00 0.00 0.00 175.76 175.25 3gq8 s VAL 235 N 1.49 1.35 -1.27 0.00 1.01 0.18 -1.44 120.40 121.72 3gq8 s VAL 235 Ca 0.06 -1.24 -0.15 0.00 0.00 0.00 0.00 61.98 60.65 3gq8 s VAL 235 Cb -0.14 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.01 3gq8 s VAL 235 CO -0.02 -0.03 0.59 -0.67 0.00 0.00 0.00 175.10 174.96 3gq8 n ASP 236 N 1.54 -2.94 -4.82 3.32 2.03 -1.10 -1.53 116.55 113.05 3gq8 n ASP 236 Ca -0.19 -1.08 -0.38 0.00 0.52 0.00 0.00 54.79 53.65 3gq8 n ASP 236 Cb 0.54 -2.83 -0.06 0.00 -0.72 0.00 0.00 41.12 38.05 3gq8 n ASP 236 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3gq8 h THR 238 N 3.57 0.99 0.00 0.00 2.02 -1.85 -2.71 112.91 114.92 3gq8 h THR 238 Ca -0.50 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 65.54 3gq8 h THR 238 Cb 1.22 1.63 0.00 0.00 -1.74 0.00 0.00 68.15 69.25 3gq8 h THR 238 CO 0.63 0.24 0.00 -0.11 0.37 0.00 0.00 175.52 176.65 3gq8 n LEU 239 N -4.92 0.00 -4.96 2.58 7.94 -0.48 -3.06 117.00 114.10 3gq8 n LEU 239 Ca -0.08 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.60 3gq8 n LEU 239 Cb 0.27 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.23 3gq8 n LEU 239 CO 0.28 0.00 0.20 -1.00 -1.11 0.00 0.00 177.39 175.76 3gq8 s HIS 240 N 1.47 3.20 -0.03 1.96 3.76 -1.26 -0.80 115.29 123.59 3gq8 s HIS 240 Ca 0.00 0.09 -0.09 0.00 -0.15 0.00 0.00 55.06 54.90 3gq8 s HIS 240 Cb 0.00 -2.19 -0.05 0.00 1.11 0.00 0.00 32.58 31.45 3gq8 s HIS 240 CO 0.00 -0.23 0.49 0.78 -0.85 0.00 0.00 174.74 174.93 3gq8 h GLY 241 N 0.57 -0.35 -6.39 -2.22 0.00 -0.69 -1.61 103.07 92.39 3gq8 h GLY 241 Ca -0.46 0.13 -0.53 0.00 0.00 0.00 0.00 47.33 46.47 3gq8 h GLY 241 CO 0.56 -0.13 -0.81 -0.42 0.00 0.00 0.00 176.54 175.74 3gq8 s ILE 242 N -2.69 1.12 -0.12 2.60 1.01 -0.37 -1.44 121.20 121.31 3gq8 s ILE 242 Ca -0.05 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.23 3gq8 s ILE 242 Cb 0.00 -1.09 0.02 0.00 0.01 0.00 0.00 42.46 41.40 3gq8 s ILE 242 CO 0.15 0.38 -0.15 -0.62 0.00 0.00 0.00 174.94 174.70 3gq8 s ASP 243 N 1.38 2.54 -0.23 3.58 3.68 -0.04 -1.26 116.67 126.32 3gq8 s ASP 243 Ca -0.01 -0.45 -0.07 0.00 2.13 0.00 0.00 52.55 54.15 3gq8 s ASP 243 Cb -0.14 -1.13 -0.03 0.00 -1.45 0.00 0.00 42.92 40.18 3gq8 s ASP 243 CO -0.05 -0.01 0.07 -0.63 0.13 0.00 0.00 175.17 174.67 3gq8 s ILE 244 N 1.18 4.42 0.28 4.11 -1.09 -0.48 -0.50 121.20 129.12 3gq8 s ILE 244 Ca -0.02 -0.14 0.00 0.00 -2.23 0.00 0.00 60.65 58.26 3gq8 s ILE 244 Cb -0.14 -3.05 -0.02 0.00 -1.58 0.00 0.00 42.46 37.67 3gq8 s ILE 244 CO -0.05 0.37 0.29 0.28 -1.23 0.00 0.00 174.94 174.59 3gq8 s THR 245 N 1.32 0.00 0.85 2.92 -1.32 0.66 0.43 115.64 120.50 3gq8 s THR 245 Ca 0.05 -1.85 -0.14 0.00 -1.21 0.00 0.00 61.69 58.54 3gq8 s THR 245 Cb -0.15 -2.50 0.20 0.00 -1.51 0.00 0.00 72.50 68.54 3gq8 s THR 245 CO 0.03 0.00 1.08 0.00 -2.21 0.00 0.00 174.62 173.52 3gq8 s GLY 247 N -5.23 2.81 0.00 0.00 0.00 -0.45 -3.61 107.32 100.85 3gq8 s GLY 247 Ca 0.62 1.07 0.00 0.00 0.00 0.00 0.00 44.72 46.41 3gq8 s GLY 247 CO 0.44 1.55 0.00 0.61 0.00 0.00 0.00 173.10 175.70 3gq8 n GLY 248 N 0.54 2.46 0.18 0.20 0.00 0.39 -4.88 105.19 104.07 3gq8 n GLY 248 Ca 0.08 -1.72 -0.10 0.00 0.00 0.00 0.00 46.02 44.28 3gq8 n GLY 248 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3gq8 h LEU 249 N 0.00 0.50-10.12 0.99 3.38 -1.90 -3.45 115.31 104.71 3gq8 h LEU 249 Ca 0.00 -0.32 -0.47 0.00 0.09 0.00 0.00 57.88 57.18 3gq8 h LEU 249 Cb 0.00 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 3gq8 h LEU 249 CO 0.00 1.05 0.27 -1.81 0.09 0.00 0.00 178.44 178.05 3gq8 s ASP 250 N -6.97 6.71 0.02 -0.43 1.01 -1.26 -0.53 116.67 115.22 3gq8 s ASP 250 Ca -0.06 1.47 -0.28 0.00 0.71 0.00 0.00 52.55 54.40 3gq8 s ASP 250 Cb 0.11 -2.46 -0.04 0.00 1.01 0.00 0.00 42.92 41.53 3gq8 s ASP 250 CO 0.84 -0.43 0.89 -0.31 0.21 0.00 0.00 175.17 176.37 3gq8 s TYR 251 N -2.35 3.69 0.24 4.23 4.12 -1.26 -4.79 117.35 121.22 3gq8 s TYR 251 Ca 0.58 1.59 -0.28 0.00 0.02 0.00 0.00 57.07 58.98 3gq8 s TYR 251 Cb -0.10 -2.99 -0.09 0.00 -1.52 0.00 0.00 41.96 37.26 3gq8 s TYR 251 CO 0.24 0.10 0.89 -1.25 0.02 0.00 0.00 175.55 175.55 3gq8 s PRO 252 N 0.59 4.70 -0.55 -1.71 0.04 -1.26 -5.02 135.00 131.79 3gq8 s PRO 252 Ca 0.46 1.35 0.04 0.00 0.04 0.00 0.00 61.00 62.88 3gq8 s PRO 252 Cb -0.21 -3.16 0.14 0.00 0.04 0.00 0.00 34.50 31.32 3gq8 s PRO 252 CO 0.26 0.48 0.32 0.71 0.04 0.00 0.00 177.00 178.80 3gq8 s TYR 253 N -1.28 3.00 -2.82 0.56 1.51 -1.26 -4.94 117.35 112.12 3gq8 s TYR 253 Ca 0.42 -3.06 0.24 0.00 -1.01 0.00 0.00 57.07 53.65 3gq8 s TYR 253 Cb -0.23 -2.56 0.25 0.00 -0.11 0.00 0.00 41.96 39.31 3gq8 s TYR 253 CO 0.28 -0.70 1.29 1.28 -1.11 0.00 0.00 175.55 176.59 3gq8 n LEU 254 N 2.87 3.11 0.00 -1.29 4.77 -1.07 -4.89 117.00 120.51 3gq8 n LEU 254 Ca 0.10 -1.14 0.00 0.00 -0.03 0.00 0.00 56.01 54.94 3gq8 n LEU 254 Cb 0.34 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3gq8 n LEU 254 CO 0.30 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 3gq8 n GLY 255 N 1.38 1.59 3.75 -0.72 0.00 0.23 -4.86 105.19 106.55 3gq8 n GLY 255 Ca 0.15 -1.87 -0.37 0.00 0.00 0.00 0.00 46.02 43.93 3gq8 n GLY 255 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gq8 s ASP 256 N -0.43 5.12 0.00 1.61 2.15 -1.26 -3.46 116.67 120.40 3gq8 s ASP 256 Ca 0.00 2.60 0.00 0.00 0.43 0.00 0.00 52.55 55.58 3gq8 s ASP 256 Cb 0.00 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 3gq8 s ASP 256 CO 0.00 -1.66 0.00 0.61 -0.17 0.00 0.00 175.17 173.95 3gq8 n GLY 257 N 0.71 0.42 3.73 2.66 0.00 -1.26 -4.87 105.19 106.58 3gq8 n GLY 257 Ca 0.12 -0.74 -0.23 0.00 0.00 0.00 0.00 46.02 45.17 3gq8 n GLY 257 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gq8 s THR 258 N -2.00 2.83 -0.08 2.61 -4.23 -1.23 -5.08 115.64 108.46 3gq8 s THR 258 Ca 0.00 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 58.81 3gq8 s THR 258 Cb 0.00 -2.96 0.02 0.00 1.34 0.00 0.00 72.50 70.90 3gq8 s THR 258 CO 0.00 -0.14 -0.07 0.28 -0.54 0.00 0.00 174.62 174.15 3gq8 s THR 259 N -2.47 0.86 0.46 3.99 -1.32 -1.26 -4.71 115.64 111.19 3gq8 s THR 259 Ca 0.39 -0.24 -0.23 0.00 -1.21 0.00 0.00 61.69 60.40 3gq8 s THR 259 Cb -0.01 -0.88 -0.07 0.00 -1.51 0.00 0.00 72.50 70.02 3gq8 s THR 259 CO 0.23 0.32 1.15 0.00 -2.21 0.00 0.00 174.62 174.11 3gq8 s ALA 260 N 1.39 2.96 0.75 11.08 0.00 -1.26 -5.01 121.76 131.66 3gq8 s ALA 260 Ca -0.02 0.91 -0.12 0.00 0.00 0.00 0.00 51.96 52.72 3gq8 s ALA 260 Cb -0.14 -3.37 0.05 0.00 0.00 0.00 0.00 23.12 19.66 3gq8 s ALA 260 CO -0.04 -0.63 1.11 -1.25 0.00 0.00 0.00 175.76 174.96 3gq8 s PRO 261 N -2.73 2.30 -1.14 0.00 0.04 -1.26 -4.30 135.00 127.92 3gq8 s PRO 261 Ca 0.64 1.33 -0.05 0.00 0.04 0.00 0.00 61.00 62.95 3gq8 s PRO 261 Cb -0.28 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 3gq8 s PRO 261 CO 0.33 -1.63 0.89 0.09 0.04 0.00 0.00 177.00 176.73 3gq8 n ASN 262 N -3.16 -4.36 -4.74 6.66 3.02 -1.26 -4.06 115.26 107.35 3gq8 n ASN 262 Ca 0.10 -0.74 -0.32 0.00 -0.03 0.00 0.00 54.58 53.58 3gq8 n ASN 262 Cb 0.52 -4.77 0.09 0.00 -0.61 0.00 0.00 39.78 35.01 3gq8 n ASN 262 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3gq8 s PRO 263 N -5.11 2.23 0.53 3.52 0.04 -1.26 -1.34 135.00 133.61 3gq8 s PRO 263 Ca 0.27 1.44 -0.18 0.00 0.04 0.00 0.00 61.00 62.56 3gq8 s PRO 263 Cb -0.05 -1.88 -0.07 0.00 0.04 0.00 0.00 34.50 32.55 3gq8 s PRO 263 CO 0.76 -1.70 1.04 -1.12 0.04 0.00 0.00 177.00 176.02 3gq8 s SER 264 N -2.69 6.16 -0.12 6.66 0.01 -1.23 -4.27 113.70 118.21 3gq8 s SER 264 Ca 0.67 1.85 -0.13 0.00 1.31 0.00 0.00 55.95 59.65 3gq8 s SER 264 Cb -0.22 -2.54 0.03 0.00 0.21 0.00 0.00 66.02 63.50 3gq8 s SER 264 CO 0.49 -0.91 0.36 -0.70 0.41 0.00 0.00 173.24 172.89 3gq8 s GLU 265 N -3.64 0.46 -0.44 12.44 2.12 0.62 -1.62 118.70 128.64 3gq8 s GLU 265 Ca 0.65 0.41 -0.15 0.00 0.36 0.00 0.00 54.97 56.24 3gq8 s GLU 265 Cb -0.15 0.22 0.02 0.00 0.26 0.00 0.00 34.13 34.47 3gq8 s GLU 265 CO 0.28 -0.07 0.60 -1.71 -0.54 0.00 0.00 175.26 173.82 3gq8 n ASN 266 N 2.66 -7.94 -4.13 -1.70 5.15 -1.03 -1.53 115.26 106.74 3gq8 n ASN 266 Ca -0.14 0.51 -0.26 0.00 -0.60 0.00 0.00 54.58 54.09 3gq8 n ASN 266 Cb 0.57 -5.39 -0.16 0.00 -0.53 0.00 0.00 39.78 34.28 3gq8 n ASN 266 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3gq8 s ILE 267 N -2.62 1.41 -0.13 -1.44 -1.09 -0.57 -1.71 121.20 115.06 3gq8 s ILE 267 Ca 0.24 -0.71 0.01 0.00 -2.23 0.00 0.00 60.65 57.96 3gq8 s ILE 267 Cb -0.07 -1.21 0.02 0.00 -1.58 0.00 0.00 42.46 39.62 3gq8 s ILE 267 CO 0.77 0.41 -0.14 0.26 -1.23 0.00 0.00 174.94 175.00 3gq8 s TRP 268 N 0.03 2.01 -0.22 3.97 0.52 -0.24 -1.45 118.94 123.55 3gq8 s TRP 268 Ca -0.04 -1.03 0.02 0.00 0.02 0.00 0.00 56.10 55.08 3gq8 s TRP 268 Cb -0.11 -1.48 0.04 0.00 -1.15 0.00 0.00 33.47 30.77 3gq8 s TRP 268 CO 0.02 -0.56 -0.15 0.42 0.02 0.00 0.00 176.95 176.71 3gq8 s ILE 269 N 1.25 2.10 -0.02 2.03 1.01 -0.17 -0.11 121.20 127.29 3gq8 s ILE 269 Ca -0.01 -1.33 0.01 0.00 0.00 0.00 0.00 60.65 59.33 3gq8 s ILE 269 Cb -0.14 -2.08 0.01 0.00 0.01 0.00 0.00 42.46 40.25 3gq8 s ILE 269 CO -0.06 0.21 -0.04 -1.61 0.00 0.00 0.00 174.94 173.44 3gq8 s GLU 270 N 1.19 0.49 -1.48 2.79 2.02 -0.08 -0.89 118.70 122.74 3gq8 s GLU 270 Ca -0.03 -0.13 -0.07 0.00 0.02 0.00 0.00 54.97 54.76 3gq8 s GLU 270 Cb -0.17 -0.51 0.03 0.00 0.10 0.00 0.00 34.13 33.58 3gq8 s GLU 270 CO -0.08 0.03 0.64 0.09 0.02 0.00 0.00 175.26 175.96 3gq8 n ASN 271 N 3.36 -5.51 -4.94 -0.19 3.02 -0.61 -1.61 115.26 108.79 3gq8 n ASN 271 Ca -0.18 -0.35 -0.25 0.00 -0.03 0.00 0.00 54.58 53.77 3gq8 n ASN 271 Cb 0.55 -4.45 -0.03 0.00 -0.61 0.00 0.00 39.78 35.24 3gq8 n ASN 271 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gq8 s GLU 273 N -3.38 1.33 -0.03 0.00 2.12 -0.34 -0.64 118.70 117.76 3gq8 s GLU 273 Ca 0.34 -0.58 0.02 0.00 0.36 0.00 0.00 54.97 55.12 3gq8 s GLU 273 Cb -0.11 -1.28 0.01 0.00 0.26 0.00 0.00 34.13 33.02 3gq8 s GLU 273 CO 0.28 0.34 -0.08 0.00 -0.54 0.00 0.00 175.26 175.26 3gq8 s ALA 274 N -0.35 0.86 0.13 6.30 0.00 -0.10 0.20 121.76 128.80 3gq8 s ALA 274 Ca 0.06 -0.28 -0.16 0.00 0.00 0.00 0.00 51.96 51.57 3gq8 s ALA 274 Cb -0.06 -0.36 0.03 0.00 0.00 0.00 0.00 23.12 22.73 3gq8 s ALA 274 CO -0.00 0.11 0.42 -0.08 0.00 0.00 0.00 175.76 176.20 3gq8 s THR 275 N 0.38 0.06 -1.39 0.00 -1.32 -0.52 -1.35 115.64 111.50 3gq8 s THR 275 Ca -0.06 -0.59 -0.08 0.00 -1.21 0.00 0.00 61.69 59.75 3gq8 s THR 275 Cb -0.10 -1.21 0.01 0.00 -1.51 0.00 0.00 72.50 69.69 3gq8 s THR 275 CO 0.01 -0.29 1.07 0.61 -2.21 0.00 0.00 174.62 173.81 3gq8 n GLY 276 N -0.24 -0.53 3.97 6.08 0.00 -0.77 -2.70 105.19 110.99 3gq8 n GLY 276 Ca -0.15 0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 3gq8 n GLY 276 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3gq8 s PHE 277 N -3.29 3.32 -0.03 1.61 -0.71 -1.26 -1.64 117.98 115.99 3gq8 s PHE 277 Ca 0.53 0.07 0.12 0.00 -1.04 0.00 0.00 56.93 56.61 3gq8 s PHE 277 Cb -0.23 -1.92 -0.18 0.00 -1.21 0.00 0.00 43.02 39.47 3gq8 s PHE 277 CO 0.66 0.07 0.91 0.78 -1.34 0.00 0.00 175.22 176.30 3gq8 h GLY 278 N 0.83 0.00 0.00 1.99 0.00 -0.62 0.69 103.07 105.95 3gq8 h GLY 278 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3gq8 h GLY 278 CO 0.58 0.00 0.00 1.34 0.00 0.00 0.00 176.54 178.46 3gq8 n ASP 279 N -3.10 0.00 -4.48 0.19 4.64 -0.61 -4.57 116.55 108.61 3gq8 n ASP 279 Ca -0.10 0.00 -0.26 0.00 -1.38 0.00 0.00 54.79 53.06 3gq8 n ASP 279 Cb 0.95 0.00 -0.10 0.00 -1.04 0.00 0.00 41.12 40.93 3gq8 n ASP 279 CO 0.00 0.00 0.00 -1.81 -0.82 0.00 0.00 177.20 174.57 3gq8 s ASP 280 N 1.00 3.73 -0.04 1.67 1.01 -1.26 -3.27 116.67 119.51 3gq8 s ASP 280 Ca 0.00 -0.85 -0.09 0.00 0.71 0.00 0.00 52.55 52.33 3gq8 s ASP 280 Cb 0.00 -0.41 -0.05 0.00 1.01 0.00 0.00 42.92 43.47 3gq8 s ASP 280 CO 0.00 0.08 0.42 1.23 0.21 0.00 0.00 175.17 177.11 3gq8 h GLY 281 N 2.74 -0.34 -6.23 0.21 0.00 -1.19 -2.18 103.07 96.08 3gq8 h GLY 281 Ca -0.44 0.12 -0.49 0.00 0.00 0.00 0.00 47.33 46.52 3gq8 h GLY 281 CO 0.54 -0.12 -0.80 -0.42 0.00 0.00 0.00 176.54 175.74 3gq8 s ILE 282 N -2.60 0.92 0.02 2.60 1.01 -0.59 -1.24 121.20 121.32 3gq8 s ILE 282 Ca -0.05 -0.31 -0.01 0.00 0.00 0.00 0.00 60.65 60.28 3gq8 s ILE 282 Cb 0.00 -0.90 -0.02 0.00 0.01 0.00 0.00 42.46 41.56 3gq8 s ILE 282 CO 0.14 0.32 0.00 0.28 0.00 0.00 0.00 174.94 175.68 3gq8 s THR 283 N 1.09 0.12 0.02 2.92 -1.32 -0.39 -1.06 115.64 117.00 3gq8 s THR 283 Ca -0.07 -0.95 0.07 0.00 -1.21 0.00 0.00 61.69 59.52 3gq8 s THR 283 Cb -0.14 -0.41 -0.02 0.00 -1.51 0.00 0.00 72.50 70.41 3gq8 s THR 283 CO -0.01 -0.52 -0.21 0.42 -2.21 0.00 0.00 174.62 172.08 3gq8 s THR 284 N -1.69 1.70 -0.02 5.08 -4.23 -0.62 -1.38 115.64 114.49 3gq8 s THR 284 Ca -0.14 -1.08 0.01 0.00 -1.18 0.00 0.00 61.69 59.30 3gq8 s THR 284 Cb -0.08 -1.45 0.01 0.00 1.34 0.00 0.00 72.50 72.32 3gq8 s THR 284 CO -0.01 0.33 -0.02 -1.00 -0.54 0.00 0.00 174.62 173.37 3gq8 s HIS 285 N -0.67 0.35 -1.61 3.99 3.76 0.17 -1.15 115.29 120.13 3gq8 s HIS 285 Ca 0.08 -0.05 -0.16 0.00 -0.15 0.00 0.00 55.06 54.78 3gq8 s HIS 285 Cb -0.09 -0.32 0.13 0.00 1.11 0.00 0.00 32.58 33.41 3gq8 s HIS 285 CO 0.01 -0.06 0.86 0.72 -0.85 0.00 0.00 174.74 175.41 3gq8 n HIS 286 N 3.49 -1.98 -4.13 1.40 8.25 0.61 -3.16 115.22 119.69 3gq8 n HIS 286 Ca -0.19 0.82 -0.11 0.00 -0.26 0.00 0.00 57.72 57.99 3gq8 n HIS 286 Cb 0.55 -3.36 -0.09 0.00 1.12 0.00 0.00 29.99 28.21 3gq8 n HIS 286 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3gq8 s SER 287 N -3.25 0.17 0.09 0.41 0.01 -1.22 -4.00 113.70 105.90 3gq8 s SER 287 Ca 0.70 -1.22 -0.14 0.00 1.31 0.00 0.00 55.95 56.60 3gq8 s SER 287 Cb -0.37 0.38 0.02 0.00 0.21 0.00 0.00 66.02 66.26 3gq8 s SER 287 CO 0.86 -0.83 0.32 0.00 0.41 0.00 0.00 173.24 174.00 3gq8 s GLN 288 N -4.08 0.94 -0.59 12.44 -2.07 -0.64 -1.58 119.66 124.07 3gq8 s GLN 288 Ca 0.30 -0.70 -0.01 0.00 -1.82 0.00 0.00 55.36 53.13 3gq8 s GLN 288 Cb 0.06 0.40 -0.02 0.00 -1.09 0.00 0.00 33.01 32.37 3gq8 s GLN 288 CO 0.07 -0.33 0.54 0.66 -1.32 0.00 0.00 175.29 174.91 3gq8 n TYR 289 N 0.07 -2.01 -4.56 9.60 0.53 -0.58 -2.58 117.16 117.64 3gq8 n TYR 289 Ca -0.17 0.75 -0.24 0.00 -1.02 0.00 0.00 57.90 57.22 3gq8 n TYR 289 Cb 0.62 -3.45 -0.16 0.00 -1.03 0.00 0.00 39.34 35.32 3gq8 n TYR 289 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 3gq8 s ILE 290 N -3.08 1.08 -0.17 -0.72 1.01 -0.91 -1.50 121.20 116.91 3gq8 s ILE 290 Ca 0.10 -0.46 -0.01 0.00 0.00 0.00 0.00 60.65 60.28 3gq8 s ILE 290 Cb -0.01 -0.99 -0.01 0.00 0.01 0.00 0.00 42.46 41.46 3gq8 s ILE 290 CO 0.53 0.34 -0.11 0.20 0.00 0.00 0.00 174.94 175.90 3gq8 s ASN 291 N 0.61 4.02 -0.25 3.58 0.01 -0.53 -0.56 114.94 121.81 3gq8 s ASN 291 Ca -0.13 -0.39 0.00 0.00 -0.71 0.00 0.00 52.86 51.64 3gq8 s ASN 291 Cb -0.15 -1.64 0.04 0.00 0.41 0.00 0.00 41.25 39.91 3gq8 s ASN 291 CO 0.03 0.08 -0.08 -0.63 -1.51 0.00 0.00 177.10 174.99 3gq8 s ILE 292 N 0.86 2.56 -0.06 0.60 1.01 0.72 -1.00 121.20 125.89 3gq8 s ILE 292 Ca -0.03 -1.28 0.02 0.00 0.00 0.00 0.00 60.65 59.36 3gq8 s ILE 292 Cb -0.15 -2.37 0.01 0.00 0.01 0.00 0.00 42.46 39.97 3gq8 s ILE 292 CO 0.00 0.11 -0.11 -0.76 0.00 0.00 0.00 174.94 174.19 3gq8 s LEU 293 N 1.23 1.61 -1.47 2.97 1.43 -0.07 -1.08 118.68 123.31 3gq8 s LEU 293 Ca -0.03 -0.27 -0.07 0.00 -1.03 0.00 0.00 54.13 52.73 3gq8 s LEU 293 Cb -0.18 -0.77 0.03 0.00 0.03 0.00 0.00 46.19 45.30 3gq8 s LEU 293 CO -0.05 0.02 0.64 0.59 0.23 0.00 0.00 176.35 177.78 3gq8 n ASN 294 N 3.83 -5.39 -4.97 2.29 3.02 -0.61 -1.58 115.26 111.86 3gq8 n ASN 294 Ca -0.23 -0.36 -0.21 0.00 -0.03 0.00 0.00 54.58 53.74 3gq8 n ASN 294 Cb 0.52 -4.36 -0.01 0.00 -0.61 0.00 0.00 39.78 35.31 3gq8 n ASN 294 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gq8 s TYR 296 N -2.11 1.73 -0.15 0.00 5.04 0.19 -0.83 117.35 121.22 3gq8 s TYR 296 Ca 0.38 -1.06 0.02 0.00 -2.44 0.00 0.00 57.07 53.97 3gq8 s TYR 296 Cb -0.09 -1.34 0.01 0.00 0.35 0.00 0.00 41.96 40.89 3gq8 s TYR 296 CO 0.31 -0.61 -0.21 -1.12 -1.34 0.00 0.00 175.55 172.58 3gq8 s SER 297 N 1.62 3.15 0.02 4.32 0.01 -0.63 -0.92 113.70 121.27 3gq8 s SER 297 Ca 0.02 -0.60 -0.16 0.00 1.31 0.00 0.00 55.95 56.51 3gq8 s SER 297 Cb -0.15 -1.46 0.03 0.00 0.21 0.00 0.00 66.02 64.65 3gq8 s SER 297 CO -0.08 0.07 0.35 -1.38 0.41 0.00 0.00 173.24 172.61 3gq8 s HIS 298 N 0.90 -0.20 -0.66 2.43 -3.43 -0.46 -1.52 115.29 112.37 3gq8 s HIS 298 Ca -0.05 0.19 -0.07 0.00 -0.80 0.00 0.00 55.06 54.33 3gq8 s HIS 298 Cb -0.15 0.14 0.01 0.00 -1.43 0.00 0.00 32.58 31.15 3gq8 s HIS 298 CO -0.04 -0.49 0.66 -0.25 -2.00 0.00 0.00 174.74 172.62 3gq8 n ASP 299 N 0.81 -7.16 -4.74 7.38 8.00 -0.36 -3.63 116.55 116.85 3gq8 n ASP 299 Ca -0.20 -0.08 -0.32 0.00 0.71 0.00 0.00 54.79 54.91 3gq8 n ASP 299 Cb 0.58 -4.43 0.11 0.00 -0.02 0.00 0.00 41.12 37.36 3gq8 n ASP 299 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3gq8 s PRO 300 N -3.19 1.97 0.13 -0.24 0.04 -1.26 -1.85 135.00 130.60 3gq8 s PRO 300 Ca 0.09 1.38 -0.07 0.00 0.04 0.00 0.00 61.00 62.44 3gq8 s PRO 300 Cb -0.02 -1.85 -0.08 0.00 0.04 0.00 0.00 34.50 32.59 3gq8 s PRO 300 CO 0.79 -1.89 1.33 0.00 0.04 0.00 0.00 177.00 177.27 3gq8 h ARG 301 N -1.07 0.56 -6.24 4.56 3.08 -1.09 -3.46 114.38 110.73 3gq8 h ARG 301 Ca -0.44 -0.52 -0.51 0.00 0.07 0.00 0.00 59.98 58.58 3gq8 h ARG 301 Cb 1.25 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.41 3gq8 h ARG 301 CO 0.49 1.14 -0.28 -0.51 -1.07 0.00 0.00 179.97 179.74 3gq8 s LEU 302 N -8.05 3.13 -0.13 3.04 1.43 -1.25 -5.01 118.68 111.83 3gq8 s LEU 302 Ca -0.08 -0.90 0.16 0.00 -1.03 0.00 0.00 54.13 52.29 3gq8 s LEU 302 Cb 0.09 -1.74 0.41 0.00 0.03 0.00 0.00 46.19 44.98 3gq8 s LEU 302 CO 0.88 -0.97 1.19 0.35 0.23 0.00 0.00 176.35 178.03 3gq8 n THR 303 N -1.81 1.37 -0.02 5.49 -2.24 -1.26 -4.86 114.28 110.95 3gq8 n THR 303 Ca 0.05 -2.34 0.00 0.00 -2.27 0.00 0.00 64.05 59.50 3gq8 n THR 303 Cb 0.62 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 3gq8 n THR 303 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gq8 n ALA 304 N -0.54 0.00 -1.48 6.98 0.00 -1.26 -1.28 120.51 122.93 3gq8 n ALA 304 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.18 3gq8 n ALA 304 Cb 0.85 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.28 3gq8 n ALA 304 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3gq8 n ASN 305 N 0.00 5.06 -4.25 0.00 5.15 -1.26 -4.09 115.26 115.87 3gq8 n ASN 305 Ca 0.00 -2.71 -0.41 0.00 -0.60 0.00 0.00 54.58 50.86 3gq8 n ASN 305 Cb 0.00 -1.52 -0.09 0.00 -0.53 0.00 0.00 39.78 37.64 3gq8 n ASN 305 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gq8 s ASN 307 N 2.41 4.32 0.01 0.00 0.01 -1.20 -0.70 114.94 119.79 3gq8 s ASN 307 Ca 0.04 -0.51 -0.25 0.00 -0.71 0.00 0.00 52.86 51.43 3gq8 s ASN 307 Cb -0.25 -0.77 -0.17 0.00 0.41 0.00 0.00 41.25 40.48 3gq8 s ASN 307 CO 0.01 0.12 1.25 1.23 -1.51 0.00 0.00 177.10 178.20 3gq8 h GLY 308 N 3.09 -0.44 -6.55 0.66 0.00 -1.19 -1.71 103.07 96.93 3gq8 h GLY 308 Ca -0.47 0.16 -0.55 0.00 0.00 0.00 0.00 47.33 46.46 3gq8 h GLY 308 CO 0.54 -0.16 -0.81 -1.36 0.00 0.00 0.00 176.54 174.74 3gq8 s PHE 309 N -4.70 1.73 -0.26 5.60 0.40 -0.60 -1.54 117.98 118.60 3gq8 s PHE 309 Ca -0.14 -0.91 0.03 0.00 -0.60 0.00 0.00 56.93 55.30 3gq8 s PHE 309 Cb 0.02 -1.36 0.06 0.00 0.51 0.00 0.00 43.02 42.26 3gq8 s PHE 309 CO 0.55 -0.57 -0.08 -2.00 0.70 0.00 0.00 175.22 173.82 3gq8 s GLU 310 N 1.63 2.01 -0.68 0.44 2.12 -0.23 -0.64 118.70 123.34 3gq8 s GLU 310 Ca 0.05 -1.33 -0.19 0.00 0.36 0.00 0.00 54.97 53.86 3gq8 s GLU 310 Cb -0.13 -2.85 0.11 0.00 0.26 0.00 0.00 34.13 31.53 3gq8 s GLU 310 CO -0.09 -0.62 0.82 0.42 -0.54 0.00 0.00 175.26 175.25 3gq8 s ILE 311 N 1.15 4.80 0.21 -3.70 -1.09 0.70 -1.58 121.20 121.69 3gq8 s ILE 311 Ca -0.06 -1.14 0.02 0.00 -2.23 0.00 0.00 60.65 57.25 3gq8 s ILE 311 Cb -0.20 -4.57 0.02 0.00 -1.58 0.00 0.00 42.46 36.14 3gq8 s ILE 311 CO -0.06 -1.24 0.20 -0.67 -1.23 0.00 0.00 174.94 171.95 3gq8 n ASP 312 N 6.36 1.41 0.00 3.58 2.03 -0.30 -1.45 116.55 128.18 3gq8 n ASP 312 Ca -0.01 -1.68 0.00 0.00 0.52 0.00 0.00 54.79 53.62 3gq8 n ASP 312 Cb 0.44 -0.06 0.00 0.00 -0.72 0.00 0.00 41.12 40.79 3gq8 n ASP 312 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3gq8 n ASP 313 N -2.18 0.00 0.00 1.67 8.00 -1.12 -1.70 116.55 121.22 3gq8 n ASP 313 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 3gq8 n ASP 313 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 3gq8 n ASP 313 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gq8 n GLY 314 N 0.00 1.43 3.77 0.44 0.00 -0.15 -0.29 105.19 110.40 3gq8 n GLY 314 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3gq8 n GLY 314 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gq8 s SER 315 N -3.22 5.90 -0.01 1.61 0.01 -0.69 -3.46 113.70 113.84 3gq8 s SER 315 Ca 0.00 2.19 -0.28 0.00 1.31 0.00 0.00 55.95 59.17 3gq8 s SER 315 Cb 0.00 -2.59 0.06 0.00 0.21 0.00 0.00 66.02 63.71 3gq8 s SER 315 CO 0.00 -1.10 0.63 0.00 0.41 0.00 0.00 173.24 173.18 3gq8 s ARG 316 N -3.11 1.06 -0.83 12.44 3.03 -0.61 -1.82 118.95 129.10 3gq8 s ARG 316 Ca 0.70 0.09 -0.04 0.00 2.03 0.00 0.00 55.73 58.51 3gq8 s ARG 316 Cb -0.25 0.49 -0.05 0.00 -1.03 0.00 0.00 34.95 34.12 3gq8 s ARG 316 CO 0.28 -0.35 0.73 0.72 -1.13 0.00 0.00 175.30 175.55 3gq8 n HIS 317 N 0.73 -2.01 -5.08 5.89 8.25 -0.84 -3.29 115.22 118.87 3gq8 n HIS 317 Ca -0.19 0.71 -0.29 0.00 -0.26 0.00 0.00 57.72 57.69 3gq8 n HIS 317 Cb 0.58 -3.79 -0.16 0.00 1.12 0.00 0.00 29.99 27.74 3gq8 n HIS 317 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3gq8 s VAL 318 N -3.29 1.78 -0.15 1.59 1.01 -1.19 -1.52 120.40 118.62 3gq8 s VAL 318 Ca 0.34 -0.92 -0.00 0.00 0.00 0.00 0.00 61.98 61.40 3gq8 s VAL 318 Cb -0.04 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 3gq8 s VAL 318 CO 0.59 0.50 -0.14 -0.69 0.00 0.00 0.00 175.10 175.37 3gq8 s VAL 319 N -0.13 2.85 -0.11 2.92 1.01 0.28 -0.98 120.40 126.23 3gq8 s VAL 319 Ca -0.02 -0.72 -0.00 0.00 0.00 0.00 0.00 61.98 61.24 3gq8 s VAL 319 Cb -0.12 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 3gq8 s VAL 319 CO 0.03 0.51 -0.10 -0.76 0.00 0.00 0.00 175.10 174.78 3gq8 s LEU 320 N 0.68 2.92 -0.11 3.92 1.02 -0.25 -0.20 118.68 126.65 3gq8 s LEU 320 Ca -0.07 -0.21 -0.07 0.00 0.02 0.00 0.00 54.13 53.81 3gq8 s LEU 320 Cb -0.16 -1.65 0.04 0.00 0.02 0.00 0.00 46.19 44.44 3gq8 s LEU 320 CO 0.02 0.23 0.27 -0.55 0.02 0.00 0.00 176.35 176.34 3gq8 s SER 321 N -0.04 -0.29 -1.67 2.29 0.15 -0.24 -0.02 113.70 113.88 3gq8 s SER 321 Ca -0.02 0.56 -0.01 0.00 0.70 0.00 0.00 55.95 57.18 3gq8 s SER 321 Cb -0.14 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 3gq8 s SER 321 CO 0.03 -0.15 0.18 0.59 1.20 0.00 0.00 173.24 175.10 3gq8 n ASN 322 N 3.89 -5.80 -4.93 5.45 3.02 -0.64 -1.57 115.26 114.68 3gq8 n ASN 322 Ca -0.22 -0.08 -0.26 0.00 -0.03 0.00 0.00 54.58 53.99 3gq8 n ASN 322 Cb 0.55 -4.79 0.03 0.00 -0.61 0.00 0.00 39.78 34.96 3gq8 n ASN 322 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3gq8 s ASN 323 N -2.24 5.49 -0.01 6.41 0.01 -1.26 -3.38 114.94 119.95 3gq8 s ASN 323 Ca 0.09 0.56 0.04 0.00 -0.71 0.00 0.00 52.86 52.84 3gq8 s ASN 323 Cb -0.04 -1.53 -0.01 0.00 0.41 0.00 0.00 41.25 40.08 3gq8 s ASN 323 CO 0.11 -1.09 -0.13 -0.60 -1.51 0.00 0.00 177.10 173.89 3gq8 s ARG 324 N -4.95 1.08 0.09 -0.60 3.52 -0.01 -2.04 118.95 116.03 3gq8 s ARG 324 Ca 0.54 -0.46 0.10 0.00 -0.13 0.00 0.00 55.73 55.78 3gq8 s ARG 324 Cb -0.10 -1.03 -0.03 0.00 -1.56 0.00 0.00 34.95 32.22 3gq8 s ARG 324 CO 0.43 0.26 -0.25 -1.54 -0.81 0.00 0.00 175.30 173.39 3gq8 s SER 325 N -0.24 3.33 -0.06 -2.12 1.04 -0.54 -1.61 113.70 113.50 3gq8 s SER 325 Ca 0.04 -0.64 -0.04 0.00 0.48 0.00 0.00 55.95 55.79 3gq8 s SER 325 Cb -0.06 -0.30 0.03 0.00 0.10 0.00 0.00 66.02 65.79 3gq8 s SER 325 CO -0.00 0.22 0.15 -0.75 0.98 0.00 0.00 173.24 173.84 3gq8 s LYS 326 N -1.67 0.13 -0.94 4.02 2.20 -0.57 -0.51 119.74 122.40 3gq8 s LYS 326 Ca 0.13 0.31 0.00 0.00 -0.36 0.00 0.00 55.97 56.05 3gq8 s LYS 326 Cb -0.10 -0.06 0.00 0.00 -1.51 0.00 0.00 37.83 36.16 3gq8 s LYS 326 CO 0.05 -0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.34 3gq8 n GLY 327 N 3.69 0.33 3.96 5.54 0.00 -0.45 -1.23 105.19 117.05 3gq8 n GLY 327 Ca -0.20 -0.49 -0.24 0.00 0.00 0.00 0.00 46.02 45.08 3gq8 n GLY 327 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gq8 n TYR 329 N -2.01 0.00 -3.41 0.00 9.36 0.12 -1.70 117.16 119.51 3gq8 n TYR 329 Ca 0.05 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 60.89 3gq8 n TYR 329 Cb 0.64 -0.22 -0.06 0.00 -0.63 0.00 0.00 39.34 39.06 3gq8 n TYR 329 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 3gq8 s GLY 330 N -1.04 2.55 -0.01 2.98 0.00 -1.26 -0.73 107.32 109.81 3gq8 s GLY 330 Ca 0.00 -0.12 -0.06 0.00 0.00 0.00 0.00 44.72 44.53 3gq8 s GLY 330 CO 0.00 0.26 0.50 -1.33 0.00 0.00 0.00 173.10 172.52 3gq8 h GLY 331 N 4.59 -0.23 -6.62 0.20 0.00 -0.62 -0.96 103.07 99.43 3gq8 h GLY 331 Ca -0.51 0.08 -0.67 0.00 0.00 0.00 0.00 47.33 46.24 3gq8 h GLY 331 CO 0.62 -0.08 -0.78 -0.42 0.00 0.00 0.00 176.54 175.88 3gq8 s ILE 332 N -2.42 2.72 -0.15 2.60 1.01 -0.21 -1.56 121.20 123.18 3gq8 s ILE 332 Ca -0.03 -0.82 -0.07 0.00 0.00 0.00 0.00 60.65 59.73 3gq8 s ILE 332 Cb 0.00 -2.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 3gq8 s ILE 332 CO 0.10 0.40 0.10 -0.70 0.00 0.00 0.00 174.94 174.84 3gq8 s GLU 333 N 1.36 3.69 -0.17 2.79 2.12 0.18 -1.53 118.70 127.15 3gq8 s GLU 333 Ca 0.04 -0.25 0.01 0.00 0.36 0.00 0.00 54.97 55.13 3gq8 s GLU 333 Cb -0.14 -3.19 0.03 0.00 0.26 0.00 0.00 34.13 31.08 3gq8 s GLU 333 CO -0.07 0.52 -0.13 0.42 -0.54 0.00 0.00 175.26 175.46 3gq8 s ILE 334 N -0.32 1.61 0.31 -3.70 1.01 -0.73 -0.22 121.20 119.17 3gq8 s ILE 334 Ca 0.10 -0.76 -0.14 0.00 0.00 0.00 0.00 60.65 59.84 3gq8 s ILE 334 Cb -0.12 -1.57 0.06 0.00 0.01 0.00 0.00 42.46 40.84 3gq8 s ILE 334 CO 0.01 0.37 0.74 2.29 0.00 0.00 0.00 174.94 178.35 3gq8 n LYS 335 N 4.74 0.92 -4.02 2.79 2.85 -0.53 -1.51 118.16 123.41 3gq8 n LYS 335 Ca -0.16 -1.84 -0.09 0.00 -1.05 0.00 0.00 58.31 55.16 3gq8 n LYS 335 Cb 0.49 2.33 -0.08 0.00 -0.65 0.00 0.00 35.03 37.11 3gq8 n LYS 335 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3gq8 s ALA 336 N -1.95 0.30 0.92 0.58 0.00 -1.19 -2.78 121.76 117.64 3gq8 s ALA 336 Ca 0.15 -1.07 -0.12 0.00 0.00 0.00 0.00 51.96 50.92 3gq8 s ALA 336 Cb -0.04 0.78 0.14 0.00 0.00 0.00 0.00 23.12 24.00 3gq8 s ALA 336 CO 0.09 -0.56 1.12 -1.01 0.00 0.00 0.00 175.76 175.41 3gq8 s HIS 337 N -3.98 2.46 0.43 0.00 3.76 -1.26 -1.95 115.29 114.75 3gq8 s HIS 337 Ca 0.17 0.92 0.10 0.00 -0.15 0.00 0.00 55.06 56.10 3gq8 s HIS 337 Cb 0.05 -3.33 0.95 0.00 1.11 0.00 0.00 32.58 31.36 3gq8 s HIS 337 CO -0.01 -2.41 2.06 0.78 -0.85 0.00 0.00 174.74 174.30 3gq8 h GLY 338 N -1.54 0.38 -3.83 -2.22 0.00 -1.85 -2.80 103.07 91.21 3gq8 h GLY 338 Ca -0.51 -0.16 -0.53 0.00 0.00 0.00 0.00 47.33 46.13 3gq8 h GLY 338 CO 0.61 0.15 0.62 1.22 0.00 0.00 0.00 176.54 179.14 3gq8 n ASP 339 N -4.46 4.71 -3.79 0.19 8.00 -1.26 -4.51 116.55 115.43 3gq8 n ASP 339 Ca 0.01 -3.68 -0.09 0.00 0.71 0.00 0.00 54.79 51.74 3gq8 n ASP 339 Cb 0.10 -0.85 -0.06 0.00 -0.02 0.00 0.00 41.12 40.29 3gq8 n ASP 339 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gq8 s ALA 340 N -3.44 -0.48 0.16 2.24 0.00 -1.06 -0.60 121.76 118.58 3gq8 s ALA 340 Ca 0.58 -0.43 -0.30 0.00 0.00 0.00 0.00 51.96 51.81 3gq8 s ALA 340 Cb 0.48 0.62 -0.07 0.00 0.00 0.00 0.00 23.12 24.15 3gq8 s ALA 340 CO 0.07 -0.59 0.97 -1.25 0.00 0.00 0.00 175.76 174.95 3gq8 s PRO 341 N -3.86 4.74 0.69 0.00 0.04 -1.22 -4.04 135.00 131.35 3gq8 s PRO 341 Ca 0.06 1.49 -0.15 0.00 0.04 0.00 0.00 61.00 62.43 3gq8 s PRO 341 Cb 0.03 -3.33 0.02 0.00 0.04 0.00 0.00 34.50 31.25 3gq8 s PRO 341 CO -0.10 0.31 1.17 0.00 0.04 0.00 0.00 177.00 178.42 3gq8 s ALA 342 N -0.43 2.29 0.40 8.56 0.00 -1.26 -0.98 121.76 130.35 3gq8 s ALA 342 Ca 0.45 0.77 -0.26 0.00 0.00 0.00 0.00 51.96 52.91 3gq8 s ALA 342 Cb -0.25 -3.41 -0.09 0.00 0.00 0.00 0.00 23.12 19.37 3gq8 s ALA 342 CO 0.31 -1.57 1.34 0.00 0.00 0.00 0.00 175.76 175.84 3gq8 s ALA 343 N -2.08 3.31 0.03 0.00 0.00 -1.14 -4.44 121.76 117.44 3gq8 s ALA 343 Ca 0.72 1.30 0.01 0.00 0.00 0.00 0.00 51.96 53.99 3gq8 s ALA 343 Cb -0.26 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.33 3gq8 s ALA 343 CO 0.42 -0.88 -0.04 1.52 0.00 0.00 0.00 175.76 176.78 3gq8 s TYR 344 N -1.23 0.39 -0.89 0.00 1.13 -0.76 -4.38 117.35 111.62 3gq8 s TYR 344 Ca 0.56 -0.56 -0.03 0.00 -1.41 0.00 0.00 57.07 55.64 3gq8 s TYR 344 Cb -0.40 -0.26 -0.04 0.00 -1.10 0.00 0.00 41.96 40.16 3gq8 s TYR 344 CO 0.52 -0.17 0.81 -1.71 -2.51 0.00 0.00 175.55 172.48 3gq8 n ASN 345 N 1.46 -7.17 -4.35 -0.18 5.15 -0.48 -2.54 115.26 107.15 3gq8 n ASN 345 Ca -0.23 -0.40 -0.32 0.00 -0.60 0.00 0.00 54.58 53.03 3gq8 n ASN 345 Cb 0.55 -5.23 -0.15 0.00 -0.53 0.00 0.00 39.78 34.42 3gq8 n ASN 345 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3gq8 s ILE 346 N -3.20 2.59 -0.12 -1.44 -1.09 -0.75 -1.99 121.20 115.20 3gq8 s ILE 346 Ca 0.24 -0.87 0.02 0.00 -2.23 0.00 0.00 60.65 57.81 3gq8 s ILE 346 Cb -0.03 -2.00 -0.01 0.00 -1.58 0.00 0.00 42.46 38.84 3gq8 s ILE 346 CO 0.74 0.56 -0.18 -0.55 -1.23 0.00 0.00 174.94 174.28 3gq8 s SER 347 N -0.17 3.56 -0.33 3.58 0.15 -0.15 -1.76 113.70 118.58 3gq8 s SER 347 Ca -0.02 -0.45 -0.04 0.00 0.70 0.00 0.00 55.95 56.15 3gq8 s SER 347 Cb -0.14 -1.52 0.05 0.00 -1.71 0.00 0.00 66.02 62.71 3gq8 s SER 347 CO 0.03 0.15 0.07 -0.63 1.20 0.00 0.00 173.24 174.06 3gq8 s ILE 348 N 0.41 3.35 -0.99 6.45 1.01 0.13 -1.09 121.20 130.47 3gq8 s ILE 348 Ca -0.14 -1.36 -0.02 0.00 0.00 0.00 0.00 60.65 59.14 3gq8 s ILE 348 Cb -0.17 -2.96 0.30 0.00 0.01 0.00 0.00 42.46 39.65 3gq8 s ILE 348 CO 0.06 -0.21 1.42 -3.20 0.00 0.00 0.00 174.94 173.02 3gq8 n ASN 349 N 4.70 6.15 0.00 3.58 5.15 0.97 -0.88 115.26 134.93 3gq8 n ASN 349 Ca -0.12 -3.49 0.00 0.00 -0.60 0.00 0.00 54.58 50.38 3gq8 n ASN 349 Cb 0.44 -1.13 0.00 0.00 -0.53 0.00 0.00 39.78 38.55 3gq8 n ASN 349 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3gq8 n GLY 350 N 0.91 -0.48 3.49 8.20 0.00 0.00 -3.50 105.19 113.81 3gq8 n GLY 350 Ca 0.31 -1.30 -0.17 0.00 0.00 0.00 0.00 46.02 44.86 3gq8 n GLY 350 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3gq8 s HIS 351 N -1.05 -0.61 -0.18 1.61 2.46 -1.05 -1.62 115.29 114.85 3gq8 s HIS 351 Ca 0.00 0.99 0.01 0.00 0.47 0.00 0.00 55.06 56.53 3gq8 s HIS 351 Cb 0.00 0.40 0.03 0.00 -0.13 0.00 0.00 32.58 32.88 3gq8 s HIS 351 CO 0.00 -0.62 -0.18 1.41 -2.47 0.00 0.00 174.74 172.89 3gq8 s MET 352 N -1.45 2.75 -0.21 2.88 1.75 -0.87 -0.95 119.30 123.21 3gq8 s MET 352 Ca -0.10 -0.84 -0.06 0.00 -1.25 0.00 0.00 55.69 53.45 3gq8 s MET 352 Cb -0.00 -2.52 -0.03 0.00 2.84 0.00 0.00 34.83 35.12 3gq8 s MET 352 CO 0.07 -0.26 0.01 0.45 -0.65 0.00 0.00 175.02 174.65 3gq8 s SER 353 N 1.31 4.93 -0.24 1.11 0.15 -0.29 -1.46 113.70 119.21 3gq8 s SER 353 Ca 0.03 -0.18 -0.00 0.00 0.70 0.00 0.00 55.95 56.50 3gq8 s SER 353 Cb -0.14 -1.85 0.03 0.00 -1.71 0.00 0.00 66.02 62.35 3gq8 s SER 353 CO -0.12 0.06 -0.09 -0.69 1.20 0.00 0.00 173.24 173.60 3gq8 s VAL 354 N 1.05 2.62 -1.43 4.45 1.01 0.34 -1.15 120.40 127.28 3gq8 s VAL 354 Ca 0.02 -1.13 -0.07 0.00 0.00 0.00 0.00 61.98 60.81 3gq8 s VAL 354 Cb -0.14 -2.33 0.04 0.00 0.00 0.00 0.00 36.38 33.94 3gq8 s VAL 354 CO 0.02 0.21 0.57 -0.62 0.00 0.00 0.00 175.10 175.27 3gq8 n GLU 355 N 4.62 -4.30 -2.09 2.72 1.02 0.28 -1.33 120.64 121.55 3gq8 n GLU 355 Ca -0.17 0.71 -0.27 0.00 -0.02 0.00 0.00 57.16 57.41 3gq8 n GLU 355 Cb 0.47 -5.51 0.11 0.00 -0.02 0.00 0.00 31.44 26.48 3gq8 n GLU 355 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3gq8 s ASP 356 N -2.72 4.27 -0.12 1.62 1.01 -1.26 -3.32 116.67 116.14 3gq8 s ASP 356 Ca 0.35 0.41 -0.12 0.00 0.71 0.00 0.00 52.55 53.91 3gq8 s ASP 356 Cb -0.17 -0.85 -0.10 0.00 1.01 0.00 0.00 42.92 42.81 3gq8 s ASP 356 CO 0.44 -1.98 0.26 0.58 0.21 0.00 0.00 175.17 174.67 3gq8 h VAL 357 N -0.97 0.66 -3.66 -1.27 2.07 -0.03 -1.85 116.25 111.21 3gq8 h VAL 357 Ca -0.44 -1.53 -0.65 0.00 0.82 0.00 0.00 66.70 64.90 3gq8 h VAL 357 Cb 1.30 1.28 -0.40 0.00 -1.52 0.00 0.00 31.29 31.95 3gq8 h VAL 357 CO 0.54 0.23 -0.73 -0.13 0.02 0.00 0.00 177.57 177.50 3gq8 s ARG 358 N -1.88 1.48 0.19 1.57 0.52 -0.07 -0.69 118.95 120.07 3gq8 s ARG 358 Ca -0.09 -1.74 -0.12 0.00 -0.52 0.00 0.00 55.73 53.26 3gq8 s ARG 358 Cb -0.01 -3.06 0.20 0.00 0.52 0.00 0.00 34.95 32.61 3gq8 s ARG 358 CO 0.29 -0.91 1.75 0.77 0.02 0.00 0.00 175.30 177.23 3gq8 h SER 359 N 7.67 0.24 -3.21 0.23 0.02 -1.45 -2.13 113.55 114.93 3gq8 h SER 359 Ca -0.06 0.06 -0.51 0.00 -0.84 0.00 0.00 61.79 60.43 3gq8 h SER 359 Cb 1.02 0.03 -0.37 0.00 0.14 0.00 0.00 62.40 63.22 3gq8 h SER 359 CO 0.51 0.16 -0.80 -0.31 -1.14 0.00 0.00 176.83 175.25 3gq8 s TYR 360 N -6.12 1.37 -0.25 3.45 1.51 -1.06 -1.05 117.35 115.20 3gq8 s TYR 360 Ca -0.13 -0.65 -0.03 0.00 -1.01 0.00 0.00 57.07 55.25 3gq8 s TYR 360 Cb 0.15 -1.16 0.08 0.00 -0.11 0.00 0.00 41.96 40.93 3gq8 s TYR 360 CO 0.74 -0.47 0.10 1.21 -1.11 0.00 0.00 175.55 176.01 3gq8 s ASN 361 N 1.66 3.27 -0.16 2.29 3.04 -0.58 -0.79 114.94 123.68 3gq8 s ASN 361 Ca 0.03 -1.13 -0.00 0.00 0.04 0.00 0.00 52.86 51.81 3gq8 s ASN 361 Cb -0.13 -0.49 -0.00 0.00 -1.54 0.00 0.00 41.25 39.09 3gq8 s ASN 361 CO -0.07 -0.39 -0.14 -0.36 -3.04 0.00 0.00 177.10 173.10 3gq8 s PHE 362 N 1.96 2.79 0.18 0.43 2.99 0.33 -1.77 117.98 124.89 3gq8 s PHE 362 Ca 0.06 -1.00 -0.22 0.00 0.00 0.00 0.00 56.93 55.76 3gq8 s PHE 362 Cb -0.16 -1.90 0.06 0.00 0.00 0.00 0.00 43.02 41.02 3gq8 s PHE 362 CO -0.23 -0.46 0.61 -0.98 -0.00 0.00 0.00 175.22 174.17 3gq8 s ARG 363 N 0.81 1.35 -0.30 0.44 1.70 -0.57 -0.39 118.95 122.00 3gq8 s ARG 363 Ca -0.05 -0.56 -0.03 0.00 -0.47 0.00 0.00 55.73 54.62 3gq8 s ARG 363 Cb -0.15 0.59 0.10 0.00 -0.57 0.00 0.00 34.95 34.92 3gq8 s ARG 363 CO 0.00 -0.59 0.12 -1.58 -1.08 0.00 0.00 175.30 172.17 3gq8 s HIS 364 N -3.78 0.79 0.26 5.89 2.46 -1.26 -3.14 115.29 116.51 3gq8 s HIS 364 Ca 0.03 -1.17 -0.30 0.00 0.47 0.00 0.00 55.06 54.08 3gq8 s HIS 364 Cb -0.02 -1.17 -0.14 0.00 -0.13 0.00 0.00 32.58 31.12 3gq8 s HIS 364 CO -0.10 -0.85 1.26 -0.89 -2.47 0.00 0.00 174.74 171.70 3gq8 n ILE 365 N 5.11 1.35 -0.50 0.89 5.41 -0.82 -1.67 119.36 129.12 3gq8 n ILE 365 Ca -0.05 -0.34 0.00 0.00 1.00 0.00 0.00 62.75 63.37 3gq8 n ILE 365 Cb 0.42 -1.29 0.00 0.00 -0.71 0.00 0.00 39.64 38.06 3gq8 n ILE 365 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3gq8 n GLY 366 N 1.67 1.00 1.85 7.39 0.00 -1.26 -2.52 105.19 113.31 3gq8 n GLY 366 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.09 3gq8 n GLY 366 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3gq8 n HIS 367 N -2.00 0.99 -0.06 1.61 8.25 -0.67 -4.55 115.22 118.78 3gq8 n HIS 367 Ca 0.00 -1.58 -0.08 0.00 -0.26 0.00 0.00 57.72 55.80 3gq8 n HIS 367 Cb 0.00 -0.24 -0.07 0.00 1.12 0.00 0.00 29.99 30.80 3gq8 n HIS 367 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3gq8 n HIS 368 N -0.42 0.00 -2.27 4.41 8.25 -1.26 -4.54 115.22 119.39 3gq8 n HIS 368 Ca 0.17 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.29 3gq8 n HIS 368 Cb 0.91 -0.54 -0.00 0.00 1.12 0.00 0.00 29.99 31.47 3gq8 n HIS 368 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gq8 s ALA 369 N -2.28 2.74 0.50 -1.41 0.00 -1.26 -4.08 121.76 115.98 3gq8 s ALA 369 Ca -0.14 0.64 0.16 0.00 0.00 0.00 0.00 51.96 52.62 3gq8 s ALA 369 Cb 0.04 -3.29 1.22 0.00 0.00 0.00 0.00 23.12 21.09 3gq8 s ALA 369 CO 0.37 -0.67 2.12 0.00 0.00 0.00 0.00 175.76 177.58 3gq8 h ALA 370 N 1.06 1.92 -0.41 0.00 0.00 -1.98 -2.14 119.26 117.71 3gq8 h ALA 370 Ca -0.49 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3gq8 h ALA 370 Cb 1.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3gq8 h ALA 370 CO 0.57 0.05 0.00 0.25 0.00 0.00 0.00 179.25 180.13 3gq8 n THR 371 N -4.47 0.53 -3.11 0.00 -2.24 -1.26 -4.92 114.28 98.81 3gq8 n THR 371 Ca -0.03 -0.69 -0.23 0.00 -2.27 0.00 0.00 64.05 60.83 3gq8 n THR 371 Cb 0.13 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 3gq8 n THR 371 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gq8 s ALA 372 N -1.47 3.74 0.51 6.98 0.00 -0.81 -5.09 121.76 125.62 3gq8 s ALA 372 Ca 0.38 -1.00 -0.20 0.00 0.00 0.00 0.00 51.96 51.15 3gq8 s ALA 372 Cb 0.21 -2.14 -0.07 0.00 0.00 0.00 0.00 23.12 21.13 3gq8 s ALA 372 CO 0.30 -0.25 1.06 -1.25 0.00 0.00 0.00 175.76 175.61 3gq8 s PRO 373 N -4.48 3.65 0.41 0.00 0.04 -1.26 -4.90 135.00 128.46 3gq8 s PRO 373 Ca 0.46 1.39 -0.26 0.00 0.04 0.00 0.00 61.00 62.63 3gq8 s PRO 373 Cb -0.10 -2.07 -0.09 0.00 0.04 0.00 0.00 34.50 32.29 3gq8 s PRO 373 CO 0.37 -0.56 1.31 -1.14 0.04 0.00 0.00 177.00 177.02 3gq8 s GLN 374 N -3.35 3.96 0.28 4.56 2.00 -1.26 -4.58 119.66 121.27 3gq8 s GLN 374 Ca 0.68 2.17 -0.30 0.00 -2.00 0.00 0.00 55.36 55.90 3gq8 s GLN 374 Cb -0.18 -2.75 -0.11 0.00 0.80 0.00 0.00 33.01 30.77 3gq8 s GLN 374 CO 0.23 -0.50 1.54 0.45 -0.50 0.00 0.00 175.29 176.51 3gq8 s SER 375 N -0.73 6.47 0.00 6.67 0.15 -1.26 -4.90 113.70 120.10 3gq8 s SER 375 Ca 0.57 2.85 0.26 0.00 0.70 0.00 0.00 55.95 60.33 3gq8 s SER 375 Cb -0.38 -2.63 0.59 0.00 -1.71 0.00 0.00 66.02 61.88 3gq8 s SER 375 CO 0.49 -0.84 1.46 1.33 1.20 0.00 0.00 173.24 176.89 3gq8 n VAL 376 N 2.20 0.00 -0.02 4.45 0.24 -1.26 -4.47 118.33 119.48 3gq8 n VAL 376 Ca 0.08 -0.23 -0.00 0.00 -2.04 0.00 0.00 64.34 62.15 3gq8 n VAL 376 Cb 0.38 0.74 -0.05 0.00 -1.47 0.00 0.00 33.84 33.44 3gq8 n VAL 376 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3gq8 n SER 377 N -0.10 3.46 -4.56 -1.34 3.41 -1.26 -4.91 113.62 108.32 3gq8 n SER 377 Ca 0.13 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.38 3gq8 n SER 377 Cb 0.40 0.96 -0.04 0.00 -0.26 0.00 0.00 64.21 65.28 3gq8 n SER 377 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gq8 s ALA 378 N -2.30 2.35 -0.02 7.33 0.00 -1.26 -4.50 121.76 123.36 3gq8 s ALA 378 Ca -0.03 -2.02 -0.10 0.00 0.00 0.00 0.00 51.96 49.81 3gq8 s ALA 378 Cb 0.03 -4.54 0.01 0.00 0.00 0.00 0.00 23.12 18.62 3gq8 s ALA 378 CO 0.27 -4.05 0.22 0.15 0.00 0.00 0.00 175.76 172.35 3gq8 s LYS 379 N 5.68 0.52 -0.20 0.00 1.02 -1.26 -0.75 119.74 124.75 3gq8 s LYS 379 Ca 0.55 -0.19 -0.02 0.00 0.02 0.00 0.00 55.97 56.33 3gq8 s LYS 379 Cb -0.02 0.23 0.00 0.00 -0.52 0.00 0.00 37.83 37.52 3gq8 s LYS 379 CO -0.06 -0.13 0.09 0.09 -0.92 0.00 0.00 175.35 174.42 3gq8 n ASN 380 N 1.66 -5.49 -4.00 2.83 4.13 -0.45 -2.01 115.26 111.93 3gq8 n ASN 380 Ca -0.20 0.70 -0.26 0.00 1.68 0.00 0.00 54.58 56.50 3gq8 n ASN 380 Cb 0.56 -3.53 -0.17 0.00 -1.54 0.00 0.00 39.78 35.11 3gq8 n ASN 380 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3gq8 s ILE 381 N -1.20 1.17 -0.20 2.41 1.01 -0.49 -1.38 121.20 122.52 3gq8 s ILE 381 Ca 0.04 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.24 3gq8 s ILE 381 Cb -0.01 -1.10 0.03 0.00 0.01 0.00 0.00 42.46 41.38 3gq8 s ILE 381 CO 0.45 0.37 -0.18 -0.69 0.00 0.00 0.00 174.94 174.90 3gq8 s VAL 382 N 1.01 2.14 -0.03 2.92 1.01 -0.72 -0.49 120.40 126.24 3gq8 s VAL 382 Ca -0.08 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 60.90 3gq8 s VAL 382 Cb -0.15 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.28 3gq8 s VAL 382 CO -0.01 0.44 -0.11 0.00 0.00 0.00 0.00 175.10 175.43 3gq8 s ALA 383 N 1.27 1.03 0.04 5.51 0.00 0.08 -0.70 121.76 128.99 3gq8 s ALA 383 Ca 0.03 -0.41 -0.03 0.00 0.00 0.00 0.00 51.96 51.55 3gq8 s ALA 383 Cb -0.14 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 3gq8 s ALA 383 CO -0.11 0.17 0.03 -1.12 0.00 0.00 0.00 175.76 174.72 3gq8 s SER 384 N 0.18 0.32 -1.27 0.00 0.01 -0.06 -1.26 113.70 111.63 3gq8 s SER 384 Ca -0.04 -0.75 -0.13 0.00 1.31 0.00 0.00 55.95 56.34 3gq8 s SER 384 Cb -0.10 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.34 3gq8 s SER 384 CO 0.01 -0.53 0.61 -3.20 0.41 0.00 0.00 173.24 170.53 3gq8 n ASN 385 N 0.54 -2.95 -4.72 2.44 2.85 -0.55 -0.82 115.26 112.05 3gq8 n ASN 385 Ca -0.17 -1.05 -0.38 0.00 -0.11 0.00 0.00 54.58 52.87 3gq8 n ASN 385 Cb 0.59 -3.02 -0.06 0.00 1.24 0.00 0.00 39.78 38.54 3gq8 n ASN 385 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3gq8 s LEU 386 N -6.81 4.26 -0.09 1.20 1.43 -0.05 -2.54 118.68 116.08 3gq8 s LEU 386 Ca 0.27 0.78 0.03 0.00 -1.03 0.00 0.00 54.13 54.17 3gq8 s LEU 386 Cb -0.11 -2.67 -0.01 0.00 0.03 0.00 0.00 46.19 43.43 3gq8 s LEU 386 CO 0.89 -0.01 -0.17 -0.69 0.23 0.00 0.00 176.35 176.60 3gq8 s VAL 387 N 0.69 2.72 -0.08 -1.59 1.01 -0.12 -1.17 120.40 121.85 3gq8 s VAL 387 Ca 0.25 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.43 3gq8 s VAL 387 Cb -0.15 -2.08 0.02 0.00 0.00 0.00 0.00 36.38 34.17 3gq8 s VAL 387 CO 0.10 0.56 -0.09 -0.55 0.00 0.00 0.00 175.10 175.11 3gq8 s SER 388 N -0.04 1.85 -0.11 3.32 0.15 -0.22 -1.13 113.70 117.52 3gq8 s SER 388 Ca -0.05 -0.28 0.02 0.00 0.70 0.00 0.00 55.95 56.35 3gq8 s SER 388 Cb -0.14 -0.78 0.01 0.00 -1.71 0.00 0.00 66.02 63.39 3gq8 s SER 388 CO 0.04 -0.04 -0.18 -0.63 1.20 0.00 0.00 173.24 173.63 3gq8 s ILE 389 N 1.16 1.68 -1.38 6.45 1.01 -0.30 -0.64 121.20 129.17 3gq8 s ILE 389 Ca -0.06 -0.77 -0.11 0.00 0.00 0.00 0.00 60.65 59.72 3gq8 s ILE 389 Cb -0.14 -1.50 0.01 0.00 0.01 0.00 0.00 42.46 40.84 3gq8 s ILE 389 CO -0.02 0.48 0.38 0.54 0.00 0.00 0.00 174.94 176.31 3gq8 n ARG 390 N 3.98 -1.48 -2.03 2.79 1.74 0.25 -0.56 116.66 121.35 3gq8 n ARG 390 Ca -0.20 0.22 -0.39 0.00 -0.77 0.00 0.00 57.85 56.71 3gq8 n ARG 390 Cb 0.52 -3.67 0.00 0.00 -1.02 0.00 0.00 32.46 28.29 3gq8 n ARG 390 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3gq8 s PRO 391 N -6.99 3.81 0.13 5.56 0.04 -1.26 -3.96 135.00 132.33 3gq8 s PRO 391 Ca 0.18 2.12 -0.25 0.00 0.04 0.00 0.00 61.00 63.09 3gq8 s PRO 391 Cb -0.09 -2.63 0.07 0.00 0.04 0.00 0.00 34.50 31.89 3gq8 s PRO 391 CO 0.95 -0.62 0.83 0.54 0.04 0.00 0.00 177.00 178.74 3gq8 s ASN 392 N -0.85 -0.32 -0.40 6.66 2.20 -0.69 -4.33 114.94 117.21 3gq8 s ASN 392 Ca 0.60 -0.25 0.11 0.00 -0.94 0.00 0.00 52.86 52.38 3gq8 s ASN 392 Cb -0.37 0.52 0.43 0.00 -2.00 0.00 0.00 41.25 39.83 3gq8 s ASN 392 CO 0.47 -0.92 1.01 -3.20 -2.94 0.00 0.00 177.10 171.52 3gq8 n ASN 393 N -0.39 3.09 -0.10 3.54 2.85 -1.26 -3.54 115.26 119.46 3gq8 n ASN 393 Ca -0.09 -3.25 0.13 0.00 -0.11 0.00 0.00 54.58 51.26 3gq8 n ASN 393 Cb 0.61 -0.51 0.51 0.00 1.24 0.00 0.00 39.78 41.64 3gq8 n ASN 393 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 3gq8 h LYS 394 N 2.81 0.39 0.00 1.20 1.57 -1.96 -2.42 116.57 118.15 3gq8 h LYS 394 Ca 0.11 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3gq8 h LYS 394 Cb 1.00 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.22 3gq8 h LYS 394 CO 0.68 0.26 -0.25 0.54 -0.57 0.00 0.00 179.45 180.11 3gq8 n ARG 395 N -4.47 0.04 -2.53 3.15 1.74 -1.26 -4.95 116.66 108.38 3gq8 n ARG 395 Ca 0.11 0.02 -0.08 0.00 -0.77 0.00 0.00 57.85 57.13 3gq8 n ARG 395 Cb 0.41 -1.53 0.01 0.00 -1.02 0.00 0.00 32.46 30.33 3gq8 n ARG 395 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gq8 n GLY 396 N 1.47 0.25 3.66 -0.13 0.00 -0.91 -4.99 105.19 104.54 3gq8 n GLY 396 Ca 0.06 -0.46 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 3gq8 n GLY 396 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3gq8 n PHE 397 N -3.68 1.47 -3.75 1.61 3.01 -1.26 -3.39 117.46 111.46 3gq8 n PHE 397 Ca -0.04 0.48 -0.23 0.00 1.01 0.00 0.00 57.45 58.67 3gq8 n PHE 397 Cb 0.54 -2.26 0.03 0.00 -0.01 0.00 0.00 39.48 37.79 3gq8 n PHE 397 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3gq8 n GLN 398 N -0.46 -4.98 -3.75 -1.08 1.13 -0.41 -1.81 117.38 106.02 3gq8 n GLN 398 Ca 0.10 0.61 -0.22 0.00 -1.94 0.00 0.00 57.00 55.55 3gq8 n GLN 398 Cb 0.43 -5.21 0.02 0.00 0.11 0.00 0.00 30.24 25.59 3gq8 n GLN 398 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3gq8 n ASP 399 N -3.01 -1.21 -3.61 1.08 8.00 -1.24 -2.42 116.55 114.13 3gq8 n ASP 399 Ca -0.23 -0.87 -0.24 0.00 0.71 0.00 0.00 54.79 54.16 3gq8 n ASP 399 Cb 0.65 -3.83 0.08 0.00 -0.02 0.00 0.00 41.12 37.99 3gq8 n ASP 399 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3gq8 n ASN 400 N -3.03 -5.94 -4.59 -2.24 3.02 -0.75 -4.96 115.26 96.77 3gq8 n ASN 400 Ca -0.29 -0.57 -0.41 0.00 -0.03 0.00 0.00 54.58 53.28 3gq8 n ASN 400 Cb 0.68 -4.95 0.02 0.00 -0.61 0.00 0.00 39.78 34.91 3gq8 n ASN 400 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gq8 n ALA 401 N -4.93 -0.03 -1.80 5.41 0.00 -1.01 -4.94 120.51 113.21 3gq8 n ALA 401 Ca -0.01 0.19 -0.40 0.00 0.00 0.00 0.00 53.44 53.22 3gq8 n ALA 401 Cb 0.57 -2.04 -0.06 0.00 0.00 0.00 0.00 19.45 17.91 3gq8 n ALA 401 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3gq8 s THR 402 N -1.33 4.08 0.71 0.00 -4.23 -1.26 -4.79 115.64 108.82 3gq8 s THR 402 Ca 0.65 2.06 -0.14 0.00 -1.18 0.00 0.00 61.69 63.07 3gq8 s THR 402 Cb -0.55 -4.31 0.03 0.00 1.34 0.00 0.00 72.50 69.01 3gq8 s THR 402 CO 0.56 0.48 1.15 -2.84 -0.54 0.00 0.00 174.62 173.42 3gq8 s PRO 403 N -1.08 2.40 -0.04 3.99 0.02 -1.26 -4.84 135.00 134.19 3gq8 s PRO 403 Ca 0.42 1.54 -0.10 0.00 0.02 0.00 0.00 61.00 62.87 3gq8 s PRO 403 Cb -0.26 -1.89 0.02 0.00 0.02 0.00 0.00 34.50 32.39 3gq8 s PRO 403 CO 0.32 -1.59 0.24 1.03 -0.33 0.00 0.00 177.00 176.67 3gq8 s ARG 404 N -4.10 0.46 -0.03 5.54 1.81 0.14 -4.61 118.95 118.16 3gq8 s ARG 404 Ca 0.70 -0.02 -0.25 0.00 -1.72 0.00 0.00 55.73 54.43 3gq8 s ARG 404 Cb -0.24 0.21 -0.21 0.00 -0.45 0.00 0.00 34.95 34.26 3gq8 s ARG 404 CO 0.45 -0.10 1.18 0.28 -0.68 0.00 0.00 175.30 176.42 3gq8 h VAL 405 N 4.34 1.46 -3.33 3.52 2.07 -1.08 -2.36 116.25 120.88 3gq8 h VAL 405 Ca -0.28 -1.47 -0.24 0.00 0.82 0.00 0.00 66.70 65.53 3gq8 h VAL 405 Cb 1.19 2.38 -0.31 0.00 -1.52 0.00 0.00 31.29 33.02 3gq8 h VAL 405 CO 0.38 0.39 -0.61 -0.22 0.02 0.00 0.00 177.57 177.53 3gq8 s LEU 406 N -8.95 0.94 -0.10 2.57 2.96 -1.11 -2.56 118.68 112.43 3gq8 s LEU 406 Ca -0.16 0.26 0.00 0.00 -0.22 0.00 0.00 54.13 54.01 3gq8 s LEU 406 Cb 0.02 0.32 0.02 0.00 0.50 0.00 0.00 46.19 47.05 3gq8 s LEU 406 CO 0.70 -0.12 -0.08 0.00 -1.32 0.00 0.00 176.35 175.53 3gq8 s ALA 407 N 0.93 1.31 -0.14 5.97 0.00 0.03 -1.04 121.76 128.82 3gq8 s ALA 407 Ca -0.07 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 51.39 3gq8 s ALA 407 Cb -0.09 -0.85 0.01 0.00 0.00 0.00 0.00 23.12 22.18 3gq8 s ALA 407 CO -0.04 -0.32 -0.21 0.08 0.00 0.00 0.00 175.76 175.26 3gq8 s VAL 408 N 1.52 2.19 0.04 0.00 1.01 0.02 -0.51 120.40 124.66 3gq8 s VAL 408 Ca 0.02 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 61.05 3gq8 s VAL 408 Cb -0.13 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 3gq8 s VAL 408 CO -0.06 0.54 -0.03 -0.94 0.00 0.00 0.00 175.10 174.61 3gq8 s SER 409 N 0.72 0.42 0.00 3.32 1.04 0.48 -1.66 113.70 118.02 3gq8 s SER 409 Ca -0.09 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.61 3gq8 s SER 409 Cb -0.16 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.10 3gq8 s SER 409 CO 0.00 -0.43 0.00 0.00 0.98 0.00 0.00 173.24 173.80 3gq8 n ALA 410 N 0.90 0.00 -1.77 5.32 0.00 0.16 -3.80 120.51 121.32 3gq8 n ALA 410 Ca -0.19 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.86 3gq8 n ALA 410 Cb 0.58 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.99 3gq8 n ALA 410 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3gq8 s TYR 411 N 0.00 3.42 -0.10 0.00 1.51 -1.26 -4.46 117.35 116.46 3gq8 s TYR 411 Ca 0.00 1.66 -0.05 0.00 -1.01 0.00 0.00 57.07 57.68 3gq8 s TYR 411 Cb 0.00 -3.25 -0.04 0.00 -0.11 0.00 0.00 41.96 38.56 3gq8 s TYR 411 CO 0.00 -0.68 0.09 -0.47 -1.11 0.00 0.00 175.55 173.38 3gq8 s TYR 412 N -1.34 3.43 -0.39 2.71 5.04 0.07 -1.21 117.35 125.66 3gq8 s TYR 412 Ca 0.50 0.39 -0.01 0.00 -2.44 0.00 0.00 57.07 55.50 3gq8 s TYR 412 Cb -0.29 -1.87 -0.02 0.00 0.35 0.00 0.00 41.96 40.13 3gq8 s TYR 412 CO 0.37 0.63 0.33 0.41 -1.34 0.00 0.00 175.55 175.95 3gq8 n GLY 413 N 1.95 0.17 3.48 8.97 0.00 -0.98 -1.35 105.19 117.44 3gq8 n GLY 413 Ca -0.19 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 3gq8 n GLY 413 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gq8 s VAL 414 N -3.13 4.25 -0.20 1.61 1.01 -1.15 -1.40 120.40 121.39 3gq8 s VAL 414 Ca 0.11 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.90 3gq8 s VAL 414 Cb -0.01 -2.95 0.03 0.00 0.00 0.00 0.00 36.38 33.45 3gq8 s VAL 414 CO 0.26 0.40 -0.17 -0.69 0.00 0.00 0.00 175.10 174.90 3gq8 s VAL 415 N 1.12 2.17 -0.15 2.92 1.01 0.36 -0.79 120.40 127.05 3gq8 s VAL 415 Ca 0.04 -1.09 0.02 0.00 0.00 0.00 0.00 61.98 60.95 3gq8 s VAL 415 Cb -0.14 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.24 3gq8 s VAL 415 CO 0.02 0.39 -0.19 -0.63 0.00 0.00 0.00 175.10 174.69 3gq8 s ILE 416 N 1.26 2.30 -0.11 2.22 -1.09 0.24 -0.74 121.20 125.27 3gq8 s ILE 416 Ca 0.02 -0.90 -0.01 0.00 -2.23 0.00 0.00 60.65 57.52 3gq8 s ILE 416 Cb -0.15 -1.94 0.03 0.00 -1.58 0.00 0.00 42.46 38.83 3gq8 s ILE 416 CO -0.10 0.54 -0.01 0.21 -1.23 0.00 0.00 174.94 174.35 3gq8 s ASN 417 N 0.81 2.00 0.00 3.58 2.47 -0.39 -1.02 114.94 122.39 3gq8 s ASN 417 Ca -0.06 -0.29 0.00 0.00 0.42 0.00 0.00 52.86 52.92 3gq8 s ASN 417 Cb -0.15 -0.55 0.00 0.00 -1.45 0.00 0.00 41.25 39.09 3gq8 s ASN 417 CO -0.01 -0.21 0.00 0.61 -3.72 0.00 0.00 177.10 173.77 3gq8 n GLY 418 N 5.09 -0.83 3.04 1.21 0.00 -0.19 -1.54 105.19 111.97 3gq8 n GLY 418 Ca -0.08 -0.21 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 3gq8 n GLY 418 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gq8 s LEU 419 N -0.71 1.68 -0.16 0.99 2.96 -0.08 -0.88 118.68 122.49 3gq8 s LEU 419 Ca 0.00 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.53 3gq8 s LEU 419 Cb 0.00 -1.02 0.02 0.00 0.50 0.00 0.00 46.19 45.69 3gq8 s LEU 419 CO 0.00 0.02 -0.20 0.28 -1.32 0.00 0.00 176.35 175.12 3gq8 s THR 420 N 0.93 2.02 -0.13 3.68 -1.32 -0.31 -0.98 115.64 119.52 3gq8 s THR 420 Ca -0.08 -0.93 -0.01 0.00 -1.21 0.00 0.00 61.69 59.46 3gq8 s THR 420 Cb -0.15 -1.81 -0.02 0.00 -1.51 0.00 0.00 72.50 69.01 3gq8 s THR 420 CO -0.00 0.54 -0.11 -0.83 -2.21 0.00 0.00 174.62 172.01 3gq8 s GLY 421 N 1.13 1.59 -0.01 6.08 0.00 -0.04 -1.06 107.32 115.01 3gq8 s GLY 421 Ca 0.01 -0.87 0.01 0.00 0.00 0.00 0.00 44.72 43.86 3gq8 s GLY 421 CO -0.09 -0.18 -0.02 -0.47 0.00 0.00 0.00 173.10 172.34 3gq8 s TYR 422 N 0.30 0.25 0.04 1.90 5.04 0.19 -1.08 117.35 123.98 3gq8 s TYR 422 Ca -0.08 -0.03 -0.06 0.00 -2.44 0.00 0.00 57.07 54.46 3gq8 s TYR 422 Cb -0.15 -0.22 -0.01 0.00 0.35 0.00 0.00 41.96 41.93 3gq8 s TYR 422 CO 0.05 -0.04 0.12 -0.08 -1.34 0.00 0.00 175.55 174.26 3gq8 s THR 423 N 0.26 0.13 -0.19 4.34 -1.32 -0.63 -0.58 115.64 117.65 3gq8 s THR 423 Ca -0.02 -1.08 0.02 0.00 -1.21 0.00 0.00 61.69 59.40 3gq8 s THR 423 Cb -0.05 -0.95 0.06 0.00 -1.51 0.00 0.00 72.50 70.05 3gq8 s THR 423 CO -0.01 -0.60 1.01 -0.90 -2.21 0.00 0.00 174.62 171.91 3gq8 n ASP 424 N 0.67 2.09 -3.67 8.08 5.68 -1.26 -4.31 116.55 123.82 3gq8 n ASP 424 Ca -0.18 -1.92 -0.29 0.00 -0.50 0.00 0.00 54.79 51.90 3gq8 n ASP 424 Cb 0.59 -0.04 -0.15 0.00 -1.14 0.00 0.00 41.12 40.37 3gq8 n ASP 424 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3gq8 s ASP 425 N -0.92 3.62 0.43 -1.12 -1.08 -1.26 -5.02 116.67 111.32 3gq8 s ASP 425 Ca 0.04 -1.35 0.30 0.00 -0.52 0.00 0.00 52.55 51.03 3gq8 s ASP 425 Cb 0.02 -0.64 1.40 0.00 -1.46 0.00 0.00 42.92 42.24 3gq8 s ASP 425 CO 0.03 -0.40 1.90 -0.65 0.52 0.00 0.00 175.17 176.57 3gq8 h PRO 426 N 8.22 0.00 -0.00 4.34 0.11 -1.91 -2.86 132.00 139.90 3gq8 h PRO 426 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 3gq8 h PRO 426 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3gq8 h PRO 426 CO 0.43 0.00 -0.25 0.09 -0.21 0.00 0.00 178.00 178.06 3gq8 n ASN 427 N -2.64 0.69 0.01 -2.05 3.02 -1.26 -3.98 115.26 109.04 3gq8 n ASN 427 Ca 0.00 -0.58 -0.12 0.00 -0.03 0.00 0.00 54.58 53.86 3gq8 n ASN 427 Cb 0.18 0.06 0.01 0.00 -0.61 0.00 0.00 39.78 39.43 3gq8 n ASN 427 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3gq8 h LEU 428 N 0.69 0.67 -7.46 3.41 3.38 -1.82 -3.42 115.31 110.76 3gq8 h LEU 428 Ca 0.00 -0.40 -0.51 0.00 0.09 0.00 0.00 57.88 57.06 3gq8 h LEU 428 Cb 0.46 -0.20 -0.39 0.00 0.09 0.00 0.00 40.66 40.63 3gq8 h LEU 428 CO 0.00 1.15 -0.78 -0.22 0.09 0.00 0.00 178.44 178.68 3gq8 s LEU 429 N -8.27 1.17 0.00 1.67 0.20 -1.26 -4.39 118.68 107.80 3gq8 s LEU 429 Ca -0.08 -0.55 0.00 0.00 0.69 0.00 0.00 54.13 54.19 3gq8 s LEU 429 Cb 0.10 -0.67 0.00 0.00 -0.43 0.00 0.00 46.19 45.19 3gq8 s LEU 429 CO 0.86 -0.23 0.26 0.35 -0.29 0.00 0.00 176.35 177.30 3gq8 n THR 430 N 5.01 0.00 0.00 3.68 -2.24 -1.26 -4.03 114.28 115.44 3gq8 n THR 430 Ca -0.09 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 3gq8 n THR 430 Cb 0.48 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 3gq8 n THR 430 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3gq8 n GLU 431 N -0.29 0.00 -3.86 -0.78 2.13 -1.26 -2.18 120.64 114.40 3gq8 n GLU 431 Ca 0.00 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.66 3gq8 n GLU 431 Cb 0.03 -0.08 -0.16 0.00 0.27 0.00 0.00 31.44 31.50 3gq8 n GLU 431 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3gq8 s THR 432 N 0.00 0.07 -0.07 6.31 2.01 -1.26 -1.56 115.64 121.14 3gq8 s THR 432 Ca 0.00 0.13 -0.23 0.00 0.31 0.00 0.00 61.69 61.90 3gq8 s THR 432 Cb 0.00 -0.18 -0.19 0.00 0.01 0.00 0.00 72.50 72.15 3gq8 s THR 432 CO 0.00 0.11 0.91 0.58 -0.69 0.00 0.00 174.62 175.53 3gq8 h VAL 433 N 6.20 1.19 -3.20 3.82 2.07 -1.10 -3.42 116.25 121.82 3gq8 h VAL 433 Ca -0.43 -1.44 -0.61 0.00 0.82 0.00 0.00 66.70 65.04 3gq8 h VAL 433 Cb 1.13 2.06 -0.35 0.00 -1.52 0.00 0.00 31.29 32.61 3gq8 h VAL 433 CO 0.48 0.33 -0.84 -0.69 0.02 0.00 0.00 177.57 176.87 3gq8 s VAL 434 N -3.23 1.64 -0.03 2.57 1.01 0.23 -0.53 120.40 122.05 3gq8 s VAL 434 Ca -0.15 -0.71 0.07 0.00 0.00 0.00 0.00 61.98 61.20 3gq8 s VAL 434 Cb -0.00 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 3gq8 s VAL 434 CO 0.56 0.47 -0.24 -0.94 0.00 0.00 0.00 175.10 174.95 3gq8 s SER 435 N 1.13 2.86 -0.31 3.32 1.04 -0.21 -0.58 113.70 120.95 3gq8 s SER 435 Ca -0.02 -0.45 0.01 0.00 0.48 0.00 0.00 55.95 55.96 3gq8 s SER 435 Cb -0.14 -0.50 0.10 0.00 0.10 0.00 0.00 66.02 65.57 3gq8 s SER 435 CO -0.05 0.27 0.08 -0.69 0.98 0.00 0.00 173.24 173.83 3gq8 s VAL 436 N -0.39 1.31 0.20 5.02 1.01 -0.52 -0.80 120.40 126.22 3gq8 s VAL 436 Ca 0.04 -1.66 -0.02 0.00 0.00 0.00 0.00 61.98 60.35 3gq8 s VAL 436 Cb -0.11 -1.96 0.01 0.00 0.00 0.00 0.00 36.38 34.31 3gq8 s VAL 436 CO 0.01 -0.62 0.28 0.00 0.00 0.00 0.00 175.10 174.76 3gq8 n GLN 437 N 4.67 0.41 -3.70 2.72 6.02 -0.66 -0.89 117.38 125.94 3gq8 n GLN 437 Ca -0.01 -1.53 -0.25 0.00 -0.01 0.00 0.00 57.00 55.21 3gq8 n GLN 437 Cb 0.42 1.49 0.03 0.00 1.02 0.00 0.00 30.24 33.21 3gq8 n GLN 437 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3gq8 n PHE 438 N -0.32 -1.92 -0.99 1.08 3.01 -1.26 -1.86 117.46 115.21 3gq8 n PHE 438 Ca -0.00 0.70 0.00 0.00 1.01 0.00 0.00 57.45 59.16 3gq8 n PHE 438 Cb 0.32 -3.94 0.00 0.00 -0.01 0.00 0.00 39.48 35.85 3gq8 n PHE 438 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3gq8 n ARG 439 N -4.17 -0.03 -1.97 -1.08 1.74 -1.26 -0.67 116.66 109.22 3gq8 n ARG 439 Ca -0.21 0.01 -0.40 0.00 -0.77 0.00 0.00 57.85 56.47 3gq8 n ARG 439 Cb 0.65 -2.77 -0.01 0.00 -1.02 0.00 0.00 32.46 29.31 3gq8 n ARG 439 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gq8 s ALA 440 N -3.18 3.46 0.07 7.54 0.00 -0.78 -4.16 121.76 124.71 3gq8 s ALA 440 Ca 0.00 1.38 -0.14 0.00 0.00 0.00 0.00 51.96 53.20 3gq8 s ALA 440 Cb 0.00 -3.53 0.02 0.00 0.00 0.00 0.00 23.12 19.61 3gq8 s ALA 440 CO 0.00 -0.86 0.33 -0.98 0.00 0.00 0.00 175.76 174.25 3gq8 s ARG 441 N -2.03 0.90 -1.19 0.00 1.70 -0.35 -4.77 118.95 113.22 3gq8 s ARG 441 Ca 0.53 -0.62 -0.15 0.00 -0.47 0.00 0.00 55.73 55.01 3gq8 s ARG 441 Cb -0.42 0.39 -0.01 0.00 -0.57 0.00 0.00 34.95 34.34 3gq8 s ARG 441 CO 0.56 -0.31 0.74 0.09 -1.08 0.00 0.00 175.30 175.29 3gq8 n ASN 442 N 0.23 -4.25 -4.63 -2.89 3.02 -0.99 -2.31 115.26 103.44 3gq8 n ASN 442 Ca -0.17 -0.98 -0.30 0.00 -0.03 0.00 0.00 54.58 53.09 3gq8 n ASN 442 Cb 0.61 -3.48 -0.09 0.00 -0.61 0.00 0.00 39.78 36.21 3gq8 n ASN 442 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gq8 s SER 444 N -2.21 0.58 -0.12 0.00 0.15 0.03 -1.88 113.70 110.25 3gq8 s SER 444 Ca 0.23 -0.07 0.02 0.00 0.70 0.00 0.00 55.95 56.83 3gq8 s SER 444 Cb -0.11 -0.26 0.02 0.00 -1.71 0.00 0.00 66.02 63.95 3gq8 s SER 444 CO 0.16 -0.06 -0.16 -0.76 1.20 0.00 0.00 173.24 173.61 3gq8 s LEU 445 N 0.78 1.80 -0.01 3.45 1.43 0.20 -0.59 118.68 125.74 3gq8 s LEU 445 Ca -0.09 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.54 3gq8 s LEU 445 Cb -0.12 -1.19 0.01 0.00 0.03 0.00 0.00 46.19 44.92 3gq8 s LEU 445 CO -0.01 0.01 -0.01 0.21 0.23 0.00 0.00 176.35 176.78 3gq8 s ASN 446 N 1.07 0.33 -0.27 2.29 3.84 -0.19 -1.10 114.94 120.90 3gq8 s ASN 446 Ca -0.04 -0.04 -0.01 0.00 0.21 0.00 0.00 52.86 52.99 3gq8 s ASN 446 Cb -0.15 -0.10 -0.01 0.00 -0.55 0.00 0.00 41.25 40.45 3gq8 s ASN 446 CO -0.04 -0.02 0.25 0.61 -2.79 0.00 0.00 177.10 175.11 3gq8 n GLY 447 N 3.45 -0.35 3.22 1.21 0.00 -0.87 -1.02 105.19 110.83 3gq8 n GLY 447 Ca -0.18 0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 3gq8 n GLY 447 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gq8 s VAL 448 N -3.04 1.94 -0.14 1.61 1.01 -0.67 -0.90 120.40 120.22 3gq8 s VAL 448 Ca 0.04 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.04 3gq8 s VAL 448 Cb -0.01 -1.66 0.02 0.00 0.00 0.00 0.00 36.38 34.74 3gq8 s VAL 448 CO 0.24 0.54 -0.12 -0.69 0.00 0.00 0.00 175.10 175.07 3gq8 s VAL 449 N 0.07 1.44 -0.17 2.92 1.01 -0.16 -0.55 120.40 124.96 3gq8 s VAL 449 Ca -0.09 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.33 3gq8 s VAL 449 Cb -0.15 -1.38 0.02 0.00 0.00 0.00 0.00 36.38 34.86 3gq8 s VAL 449 CO 0.05 0.42 -0.20 -0.76 0.00 0.00 0.00 175.10 174.61 3gq8 s LEU 450 N 1.54 2.17 -0.03 3.92 1.43 -0.65 -0.86 118.68 126.20 3gq8 s LEU 450 Ca 0.05 -0.62 0.02 0.00 -1.03 0.00 0.00 54.13 52.55 3gq8 s LEU 450 Cb -0.13 -1.49 0.01 0.00 0.03 0.00 0.00 46.19 44.61 3gq8 s LEU 450 CO -0.10 0.02 -0.07 0.42 0.23 0.00 0.00 176.35 176.85 3gq8 s THR 451 N 1.15 0.68 0.00 5.49 -4.23 -0.24 -0.53 115.64 117.96 3gq8 s THR 451 Ca 0.01 -0.29 0.00 0.00 -1.18 0.00 0.00 61.69 60.24 3gq8 s THR 451 Cb -0.14 -0.62 0.00 0.00 1.34 0.00 0.00 72.50 73.08 3gq8 s THR 451 CO -0.09 0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.82 3gq8 n GLY 452 N 3.42 0.29 2.22 3.99 0.00 -0.51 -1.61 105.19 112.99 3gq8 n GLY 452 Ca -0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 3gq8 n GLY 452 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3gq8 n PHE 453 N -2.00 1.50 1.56 1.61 3.01 -1.07 -4.32 117.46 117.74 3gq8 n PHE 453 Ca 0.00 -2.41 0.15 0.00 1.01 0.00 0.00 57.45 56.20 3gq8 n PHE 453 Cb 0.00 -2.03 0.80 0.00 -0.01 0.00 0.00 39.48 38.24 3gq8 n PHE 453 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3gq8 n SER 454 N 2.83 0.00 -0.30 4.37 3.41 -0.51 -2.49 113.62 120.93 3gq8 n SER 454 Ca 0.62 -0.35 0.08 0.00 -0.26 0.00 0.00 58.87 58.97 3gq8 n SER 454 Cb 0.51 -0.22 0.17 0.00 -0.26 0.00 0.00 64.21 64.41 3gq8 n SER 454 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3gq8 n ASN 455 N -1.22 2.32 -4.89 4.04 5.15 -1.26 -1.86 115.26 117.56 3gq8 n ASN 455 Ca 0.17 -3.31 -0.33 0.00 -0.60 0.00 0.00 54.58 50.51 3gq8 n ASN 455 Cb 0.21 -0.47 -0.05 0.00 -0.53 0.00 0.00 39.78 38.94 3gq8 n ASN 455 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3gq8 s SER 456 N -2.88 6.54 0.10 1.20 1.04 -1.05 -4.44 113.70 114.22 3gq8 s SER 456 Ca 0.35 0.66 -0.14 0.00 0.48 0.00 0.00 55.95 57.29 3gq8 s SER 456 Cb 0.31 -2.12 -0.10 0.00 0.10 0.00 0.00 66.02 64.21 3gq8 s SER 456 CO 0.01 0.11 1.39 -0.08 0.98 0.00 0.00 173.24 175.65 3gq8 h GLU 457 N 3.25 0.73 -4.88 4.02 4.57 -0.78 -1.25 114.58 120.25 3gq8 h GLU 457 Ca -0.47 -0.44 -0.47 0.00 -1.18 0.00 0.00 59.36 56.80 3gq8 h GLU 457 Cb 1.18 0.04 -0.30 0.00 -0.16 0.00 0.00 28.75 29.51 3gq8 h GLU 457 CO 0.70 1.06 -0.80 -0.80 -1.18 0.00 0.00 179.01 177.99 3gq8 s ASN 458 N -6.69 1.49 -0.00 1.04 0.01 -0.72 -0.71 114.94 109.35 3gq8 s ASN 458 Ca -0.12 -0.23 -0.00 0.00 -0.71 0.00 0.00 52.86 51.80 3gq8 s ASN 458 Cb 0.09 -0.35 -0.00 0.00 0.41 0.00 0.00 41.25 41.40 3gq8 s ASN 458 CO 0.85 0.11 0.33 1.23 -1.51 0.00 0.00 177.10 178.11 3gq8 h GLY 459 N 6.23 -0.00 -5.50 0.66 0.00 -0.44 -1.54 103.07 102.47 3gq8 h GLY 459 Ca -0.33 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.33 3gq8 h GLY 459 CO 0.49 -0.00 -0.83 -0.42 0.00 0.00 0.00 176.54 175.78 3gq8 s ILE 460 N -1.67 2.52 -0.16 2.60 1.01 0.19 -0.60 121.20 125.09 3gq8 s ILE 460 Ca -0.00 -0.85 -0.01 0.00 0.00 0.00 0.00 60.65 59.79 3gq8 s ILE 460 Cb 0.00 -2.01 0.04 0.00 0.01 0.00 0.00 42.46 40.49 3gq8 s ILE 460 CO 0.00 0.54 -0.05 -0.47 0.00 0.00 0.00 174.94 174.96 3gq8 s TYR 461 N 0.39 1.65 -0.13 3.97 5.04 0.26 -0.02 117.35 128.50 3gq8 s TYR 461 Ca -0.14 -1.02 -0.00 0.00 -2.44 0.00 0.00 57.07 53.47 3gq8 s TYR 461 Cb -0.17 -1.29 -0.01 0.00 0.35 0.00 0.00 41.96 40.83 3gq8 s TYR 461 CO 0.07 -0.60 -0.13 0.08 -1.34 0.00 0.00 175.55 173.63 3gq8 s VAL 462 N 1.65 3.00 -0.04 3.14 1.01 -0.29 -1.43 120.40 127.44 3gq8 s VAL 462 Ca 0.01 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.36 3gq8 s VAL 462 Cb -0.15 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 3gq8 s VAL 462 CO -0.08 0.52 -0.17 -0.63 0.00 0.00 0.00 175.10 174.74 3gq8 s ILE 463 N 0.42 1.43 0.00 2.22 1.01 -0.07 0.04 121.20 126.24 3gq8 s ILE 463 Ca -0.10 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 59.82 3gq8 s ILE 463 Cb -0.16 -1.22 0.00 0.00 0.01 0.00 0.00 42.46 41.09 3gq8 s ILE 463 CO 0.05 0.41 0.00 0.61 0.00 0.00 0.00 174.94 176.01 3gq8 n GLY 464 N 3.04 5.45 0.32 6.18 0.00 -0.53 -4.25 105.19 115.40 3gq8 n GLY 464 Ca -0.17 -2.10 0.02 0.00 0.00 0.00 0.00 46.02 43.77 3gq8 n GLY 464 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gq8 n GLY 465 N 5.00 1.29 3.81 -0.02 0.00 -0.48 -4.36 105.19 110.43 3gq8 n GLY 465 Ca 0.00 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 3gq8 n GLY 465 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gq8 n SER 466 N -0.37 -4.96 -4.81 1.61 7.64 0.48 -4.97 113.62 108.24 3gq8 n SER 466 Ca 0.04 -0.71 -0.36 0.00 1.01 0.00 0.00 58.87 58.85 3gq8 n SER 466 Cb 0.64 -3.96 -0.06 0.00 -1.01 0.00 0.00 64.21 59.82 3gq8 n SER 466 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3gq8 s ARG 467 N -6.52 4.28 0.28 1.43 0.52 -1.26 -5.04 118.95 112.65 3gq8 s ARG 467 Ca 0.63 0.93 -0.29 0.00 -0.52 0.00 0.00 55.73 56.47 3gq8 s ARG 467 Cb -0.31 -2.82 -0.10 0.00 0.52 0.00 0.00 34.95 32.25 3gq8 s ARG 467 CO 0.77 0.35 1.24 0.20 0.02 0.00 0.00 175.30 177.89 3gq8 s GLY 468 N -1.71 2.88 -0.18 -3.53 0.00 -1.26 -3.07 107.32 100.45 3gq8 s GLY 468 Ca 0.45 1.11 0.00 0.00 0.00 0.00 0.00 44.72 46.28 3gq8 s GLY 468 CO 0.21 1.83 0.00 0.61 0.00 0.00 0.00 173.10 175.75 3gq8 n GLY 469 N 1.35 0.50 3.86 0.20 0.00 -1.26 -5.02 105.19 104.82 3gq8 n GLY 469 Ca 0.01 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 3gq8 n GLY 469 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gq8 s ASP 470 N -2.27 6.48 -0.12 1.61 -1.08 -1.17 -4.88 116.67 115.24 3gq8 s ASP 470 Ca 0.00 1.41 -0.29 0.00 -0.52 0.00 0.00 52.55 53.15 3gq8 s ASP 470 Cb 0.00 -2.45 0.07 0.00 -1.46 0.00 0.00 42.92 39.08 3gq8 s ASP 470 CO 0.00 -0.63 0.69 0.00 0.52 0.00 0.00 175.17 175.75 3gq8 s ALA 471 N -2.74 -1.77 -0.06 3.66 0.00 -1.26 -4.59 121.76 114.99 3gq8 s ALA 471 Ca 0.56 1.55 0.01 0.00 0.00 0.00 0.00 51.96 54.08 3gq8 s ALA 471 Cb -0.10 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 22.65 3gq8 s ALA 471 CO 0.38 -0.36 -0.09 0.54 0.00 0.00 0.00 175.76 176.24 3gq8 s VAL 472 N -0.68 0.89 -0.16 0.00 0.11 -0.75 -2.34 120.40 117.47 3gq8 s VAL 472 Ca -0.07 -0.31 0.01 0.00 -2.93 0.00 0.00 61.98 58.68 3gq8 s VAL 472 Cb -0.02 -0.86 0.01 0.00 -1.53 0.00 0.00 36.38 33.99 3gq8 s VAL 472 CO 0.07 0.31 -0.20 0.20 -3.33 0.00 0.00 175.10 172.15 3gq8 s ASN 473 N 0.92 3.23 -0.14 3.54 0.01 -0.79 -1.33 114.94 120.38 3gq8 s ASN 473 Ca -0.10 -0.60 -0.00 0.00 -0.71 0.00 0.00 52.86 51.45 3gq8 s ASN 473 Cb -0.15 -1.48 0.03 0.00 0.41 0.00 0.00 41.25 40.06 3gq8 s ASN 473 CO 0.01 0.05 -0.08 -0.63 -1.51 0.00 0.00 177.10 174.94 3gq8 s ILE 474 N 1.00 1.14 0.02 0.60 1.01 0.23 -0.62 121.20 124.58 3gq8 s ILE 474 Ca -0.02 -0.47 -0.04 0.00 0.00 0.00 0.00 60.65 60.12 3gq8 s ILE 474 Cb -0.15 -1.20 -0.01 0.00 0.01 0.00 0.00 42.46 41.11 3gq8 s ILE 474 CO -0.06 0.29 0.06 -0.94 0.00 0.00 0.00 174.94 174.29 3gq8 s SER 475 N 1.64 0.16 -1.02 3.58 1.04 -0.26 -1.35 113.70 117.50 3gq8 s SER 475 Ca 0.03 -0.42 -0.10 0.00 0.48 0.00 0.00 55.95 55.95 3gq8 s SER 475 Cb -0.14 0.17 -0.04 0.00 0.10 0.00 0.00 66.02 66.12 3gq8 s SER 475 CO -0.08 -0.38 0.83 0.59 0.98 0.00 0.00 173.24 175.18 3gq8 n ASN 476 N 1.32 -6.33 -4.38 7.02 3.02 -0.43 -2.04 115.26 113.43 3gq8 n ASN 476 Ca -0.22 -0.72 -0.33 0.00 -0.03 0.00 0.00 54.58 53.28 3gq8 n ASN 476 Cb 0.56 -4.46 -0.14 0.00 -0.61 0.00 0.00 39.78 35.13 3gq8 n ASN 476 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3gq8 s VAL 477 N -3.33 2.98 -0.09 2.41 1.01 -0.59 -1.66 120.40 121.13 3gq8 s VAL 477 Ca 0.37 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.67 3gq8 s VAL 477 Cb -0.08 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 34.08 3gq8 s VAL 477 CO 0.79 0.54 -0.17 0.28 0.00 0.00 0.00 175.10 176.54 3gq8 s THR 478 N 0.12 1.58 -0.17 3.92 -1.32 0.28 -0.73 115.64 119.31 3gq8 s THR 478 Ca -0.07 -0.72 -0.01 0.00 -1.21 0.00 0.00 61.69 59.69 3gq8 s THR 478 Cb -0.15 -1.41 -0.00 0.00 -1.51 0.00 0.00 72.50 69.43 3gq8 s THR 478 CO 0.05 0.45 -0.13 -0.76 -2.21 0.00 0.00 174.62 172.02 3gq8 s LEU 479 N 0.68 2.54 -0.42 9.08 1.43 0.32 -1.64 118.68 130.67 3gq8 s LEU 479 Ca -0.13 -0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 52.49 3gq8 s LEU 479 Cb -0.16 -1.59 0.11 0.00 0.03 0.00 0.00 46.19 44.58 3gq8 s LEU 479 CO 0.03 0.06 0.21 0.21 0.23 0.00 0.00 176.35 177.09 3gq8 s ASN 480 N 0.97 5.21 -1.43 2.29 3.04 0.31 -0.80 114.94 124.54 3gq8 s ASN 480 Ca -0.02 -2.12 -0.03 0.00 0.04 0.00 0.00 52.86 50.73 3gq8 s ASN 480 Cb -0.15 -1.82 0.03 0.00 -1.54 0.00 0.00 41.25 37.77 3gq8 s ASN 480 CO -0.02 -0.52 0.57 0.59 -3.04 0.00 0.00 177.10 174.69 3gq8 n ASN 481 N 4.47 -1.25 -3.78 -4.21 3.02 0.46 -1.43 115.26 112.55 3gq8 n ASN 481 Ca -0.01 -0.94 -0.30 0.00 -0.03 0.00 0.00 54.58 53.30 3gq8 n ASN 481 Cb 0.41 -3.32 -0.15 0.00 -0.61 0.00 0.00 39.78 36.11 3gq8 n ASN 481 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3gq8 s SER 482 N -4.15 4.12 0.00 6.41 0.01 -1.26 -1.43 113.70 117.41 3gq8 s SER 482 Ca 0.15 -1.70 0.00 0.00 1.31 0.00 0.00 55.95 55.71 3gq8 s SER 482 Cb -0.08 -0.97 0.00 0.00 0.21 0.00 0.00 66.02 65.18 3gq8 s SER 482 CO 0.87 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 174.72 3gq8 n GLY 483 N 4.76 1.63 0.31 3.44 0.00 -1.04 -4.31 105.19 109.98 3gq8 n GLY 483 Ca -0.01 -1.11 0.03 0.00 0.00 0.00 0.00 46.02 44.92 3gq8 n GLY 483 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gq8 h ARG 484 N 0.00 0.81 -4.83 1.61 3.08 -0.81 -3.25 114.38 110.99 3gq8 h ARG 484 Ca 0.00 -0.05 -0.66 0.00 0.07 0.00 0.00 59.98 59.34 3gq8 h ARG 484 Cb 0.00 -0.18 -0.20 0.00 0.08 0.00 0.00 29.97 29.66 3gq8 h ARG 484 CO 0.00 0.53 -0.55 0.71 -1.07 0.00 0.00 179.97 179.60 3gq8 s TYR 485 N -6.03 3.18 0.02 3.04 1.51 0.11 -0.25 117.35 118.93 3gq8 s TYR 485 Ca -0.12 -0.30 -0.28 0.00 -1.01 0.00 0.00 57.07 55.36 3gq8 s TYR 485 Cb 0.19 -2.36 -0.16 0.00 -0.11 0.00 0.00 41.96 39.52 3gq8 s TYR 485 CO 0.78 -0.34 1.19 0.78 -1.11 0.00 0.00 175.55 176.85 3gq8 h GLY 486 N 8.36 -0.96 -6.75 0.71 0.00 -0.77 0.14 103.07 103.80 3gq8 h GLY 486 Ca -0.34 0.36 -0.59 0.00 0.00 0.00 0.00 47.33 46.76 3gq8 h GLY 486 CO 0.59 -0.35 -0.81 0.14 0.00 0.00 0.00 176.54 176.11 3gq8 s VAL 487 N -4.86 1.42 -0.14 4.60 1.01 0.60 -0.64 120.40 122.40 3gq8 s VAL 487 Ca -0.15 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.15 3gq8 s VAL 487 Cb 0.02 -1.45 0.01 0.00 0.00 0.00 0.00 36.38 34.95 3gq8 s VAL 487 CO 0.46 0.29 -0.20 -0.55 0.00 0.00 0.00 175.10 175.10 3gq8 s SER 488 N 1.52 3.26 -0.22 3.32 0.15 0.98 -0.89 113.70 121.82 3gq8 s SER 488 Ca 0.02 -0.56 -0.05 0.00 0.70 0.00 0.00 55.95 56.06 3gq8 s SER 488 Cb -0.14 -1.47 -0.02 0.00 -1.71 0.00 0.00 66.02 62.68 3gq8 s SER 488 CO -0.09 0.09 -0.01 -0.63 1.20 0.00 0.00 173.24 173.79 3gq8 s ILE 489 N 0.78 3.67 0.00 6.45 -1.09 0.63 -1.14 121.20 130.50 3gq8 s ILE 489 Ca -0.07 -0.40 0.00 0.00 -2.23 0.00 0.00 60.65 57.95 3gq8 s ILE 489 Cb -0.16 -2.68 0.00 0.00 -1.58 0.00 0.00 42.46 38.05 3gq8 s ILE 489 CO -0.01 0.41 0.00 0.61 -1.23 0.00 0.00 174.94 174.72 3gq8 n GLY 490 N 4.69 1.31 3.78 6.18 0.00 0.11 -1.53 105.19 119.73 3gq8 n GLY 490 Ca -0.18 -1.89 -0.30 0.00 0.00 0.00 0.00 46.02 43.66 3gq8 n GLY 490 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gq8 s SER 491 N -1.00 4.23 0.00 1.61 1.04 -1.26 -4.10 113.70 114.22 3gq8 s SER 491 Ca 0.00 1.34 0.00 0.00 0.48 0.00 0.00 55.95 57.77 3gq8 s SER 491 Cb 0.00 -2.05 0.00 0.00 0.10 0.00 0.00 66.02 64.07 3gq8 s SER 491 CO 0.00 -2.14 0.00 0.61 0.98 0.00 0.00 173.24 172.69 3gq8 n GLY 492 N -1.88 0.52 3.20 7.32 0.00 -1.26 -1.45 105.19 111.64 3gq8 n GLY 492 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 3gq8 n GLY 492 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gq8 s ILE 493 N -2.12 2.98 -0.06 -0.61 1.01 -1.26 0.18 121.20 121.33 3gq8 s ILE 493 Ca 0.00 -1.13 0.17 0.00 0.00 0.00 0.00 60.65 59.69 3gq8 s ILE 493 Cb 0.00 -2.58 -0.26 0.00 0.01 0.00 0.00 42.46 39.63 3gq8 s ILE 493 CO 0.00 0.09 0.31 -0.62 0.00 0.00 0.00 174.94 174.71 3gq8 n GLU 494 N 4.66 0.73 -3.94 2.79 1.02 -1.26 -4.73 120.64 119.92 3gq8 n GLU 494 Ca -0.15 -0.12 -0.31 0.00 -0.02 0.00 0.00 57.16 56.56 3gq8 n GLU 494 Cb 0.46 -1.42 -0.15 0.00 -0.02 0.00 0.00 31.44 30.31 3gq8 n GLU 494 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3gq8 s ASN 495 N -4.30 4.54 -0.02 1.62 0.01 -1.26 -4.91 114.94 110.61 3gq8 s ASN 495 Ca -0.07 -2.11 0.03 0.00 -0.71 0.00 0.00 52.86 50.01 3gq8 s ASN 495 Cb 0.10 -1.43 -0.00 0.00 0.41 0.00 0.00 41.25 40.32 3gq8 s ASN 495 CO 0.73 -0.38 -0.12 0.68 -1.51 0.00 0.00 177.10 176.50 3gq8 s VAL 496 N 0.98 1.01 -0.18 1.60 -7.23 -1.26 -1.81 120.40 113.50 3gq8 s VAL 496 Ca 0.11 -0.50 0.01 0.00 -1.81 0.00 0.00 61.98 59.79 3gq8 s VAL 496 Cb -0.19 -0.87 0.02 0.00 0.56 0.00 0.00 36.38 35.90 3gq8 s VAL 496 CO -0.11 0.30 -0.20 -0.55 -0.31 0.00 0.00 175.10 174.23 3gq8 s SER 497 N -0.01 3.16 -0.23 4.85 0.15 -0.45 -0.77 113.70 120.41 3gq8 s SER 497 Ca -0.00 -0.64 -0.00 0.00 0.70 0.00 0.00 55.95 56.01 3gq8 s SER 497 Cb -0.08 -1.48 0.06 0.00 -1.71 0.00 0.00 66.02 62.81 3gq8 s SER 497 CO 0.00 0.01 -0.03 -0.63 1.20 0.00 0.00 173.24 173.80 3gq8 s ILE 498 N 1.23 1.30 -0.00 6.45 1.01 0.54 -0.60 121.20 131.13 3gq8 s ILE 498 Ca 0.03 -1.10 0.02 0.00 0.00 0.00 0.00 60.65 59.61 3gq8 s ILE 498 Cb -0.13 -1.64 -0.01 0.00 0.01 0.00 0.00 42.46 40.69 3gq8 s ILE 498 CO -0.11 -0.15 -0.07 0.42 0.00 0.00 0.00 174.94 175.03 3gq8 s THR 499 N 1.50 0.56 -0.94 2.92 -4.23 -0.45 -1.93 115.64 113.06 3gq8 s THR 499 Ca -0.04 -0.31 -0.05 0.00 -1.18 0.00 0.00 61.69 60.11 3gq8 s THR 499 Cb -0.18 -0.47 -0.04 0.00 1.34 0.00 0.00 72.50 73.15 3gq8 s THR 499 CO -0.07 0.15 0.82 0.59 -0.54 0.00 0.00 174.62 175.57 3gq8 n ASN 500 N 2.89 -6.91 -4.42 3.99 3.02 -0.30 -1.32 115.26 112.21 3gq8 n ASN 500 Ca -0.13 -0.51 -0.33 0.00 -0.03 0.00 0.00 54.58 53.58 3gq8 n ASN 500 Cb 0.58 -4.98 -0.13 0.00 -0.61 0.00 0.00 39.78 34.64 3gq8 n ASN 500 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3gq8 s ILE 501 N -3.24 3.41 0.06 2.41 -1.09 -0.73 -1.54 121.20 120.48 3gq8 s ILE 501 Ca 0.28 -0.53 0.05 0.00 -2.23 0.00 0.00 60.65 58.22 3gq8 s ILE 501 Cb -0.05 -2.47 -0.03 0.00 -1.58 0.00 0.00 42.46 38.34 3gq8 s ILE 501 CO 0.76 0.51 -0.14 -0.94 -1.23 0.00 0.00 174.94 173.90 3gq8 s SER 502 N 0.43 1.63 -0.11 3.58 1.04 0.09 -1.42 113.70 118.94 3gq8 s SER 502 Ca -0.07 -0.55 -0.10 0.00 0.48 0.00 0.00 55.95 55.71 3gq8 s SER 502 Cb -0.15 -0.07 0.03 0.00 0.10 0.00 0.00 66.02 65.93 3gq8 s SER 502 CO 0.04 -0.04 0.29 -0.83 0.98 0.00 0.00 173.24 173.69 3gq8 s GLY 503 N -1.48 -0.22 -0.20 7.32 0.00 -0.63 -0.52 107.32 111.59 3gq8 s GLY 503 Ca -0.01 0.82 -0.06 0.00 0.00 0.00 0.00 44.72 45.48 3gq8 s GLY 503 CO 0.02 0.71 0.02 -0.42 0.00 0.00 0.00 173.10 173.43 3gq8 s ILE 504 N 0.16 4.16 -0.16 0.90 1.01 0.02 -1.63 121.20 125.66 3gq8 s ILE 504 Ca -0.00 -0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.42 3gq8 s ILE 504 Cb -0.02 -2.89 0.01 0.00 0.01 0.00 0.00 42.46 39.57 3gq8 s ILE 504 CO 0.00 0.42 0.52 0.61 0.00 0.00 0.00 174.94 176.49 3gq8 n GLY 505 N 4.17 -1.25 0.35 6.18 0.00 0.79 -0.40 105.19 115.03 3gq8 n GLY 505 Ca -0.17 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 45.94 3gq8 n GLY 505 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gq8 h ASP 506 N 0.24 0.37 -0.69 1.61 3.32 -1.70 -1.70 116.42 117.87 3gq8 h ASP 506 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3gq8 h ASP 506 Cb 0.05 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3gq8 h ASP 506 CO 0.00 0.22 0.00 0.61 -1.72 0.00 0.00 179.24 178.35 3gq8 n GLY 507 N -1.52 2.36 3.79 2.75 0.00 -1.26 -4.96 105.19 106.35 3gq8 n GLY 507 Ca 0.10 -0.80 -0.38 0.00 0.00 0.00 0.00 46.02 44.94 3gq8 n GLY 507 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gq8 s ILE 508 N -1.09 4.47 -0.57 -0.61 1.01 -0.64 -4.88 121.20 118.89 3gq8 s ILE 508 Ca 0.48 1.52 -0.27 0.00 0.00 0.00 0.00 60.65 62.38 3gq8 s ILE 508 Cb 0.25 -4.02 -0.00 0.00 0.01 0.00 0.00 42.46 38.71 3gq8 s ILE 508 CO 0.34 0.41 1.63 0.21 0.00 0.00 0.00 174.94 177.52 3gq8 s ASN 509 N -1.32 5.76 -1.01 3.58 3.04 -0.77 -4.17 114.94 120.04 3gq8 s ASN 509 Ca 0.38 0.35 -0.09 0.00 0.04 0.00 0.00 52.86 53.54 3gq8 s ASN 509 Cb -0.20 -2.54 -0.04 0.00 -1.54 0.00 0.00 41.25 36.93 3gq8 s ASN 509 CO 0.24 -1.99 0.84 -1.20 -3.04 0.00 0.00 177.10 171.94 3gq8 n SER 510 N 10.91 -6.45 -4.76 -4.21 7.64 -1.26 -4.89 113.62 110.60 3gq8 n SER 510 Ca 0.16 -0.69 -0.35 0.00 1.01 0.00 0.00 58.87 59.00 3gq8 n SER 510 Cb 0.50 -4.63 0.04 0.00 -1.01 0.00 0.00 64.21 59.11 3gq8 n SER 510 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3gq8 s PRO 511 N -4.58 2.90 0.02 1.43 0.04 -1.26 -4.87 135.00 128.68 3gq8 s PRO 511 Ca 0.37 1.71 -0.03 0.00 0.04 0.00 0.00 61.00 63.09 3gq8 s PRO 511 Cb -0.08 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 3gq8 s PRO 511 CO 0.78 -1.23 -0.06 0.28 0.04 0.00 0.00 177.00 176.81 3gq8 n VAL 512 N -1.82 0.82 -3.73 -0.36 0.31 0.65 -4.54 118.33 109.66 3gq8 n VAL 512 Ca 0.13 0.26 -0.13 0.00 -0.01 0.00 0.00 64.34 64.58 3gq8 n VAL 512 Cb 0.50 -1.54 -0.10 0.00 -0.91 0.00 0.00 33.84 31.80 3gq8 n VAL 512 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gq8 s ALA 513 N -2.25 -0.99 0.09 3.52 0.00 -0.93 -2.48 121.76 118.71 3gq8 s ALA 513 Ca -0.05 0.97 -0.21 0.00 0.00 0.00 0.00 51.96 52.67 3gq8 s ALA 513 Cb 0.01 -0.47 -0.11 0.00 0.00 0.00 0.00 23.12 22.54 3gq8 s ALA 513 CO 0.07 -0.22 1.67 1.25 0.00 0.00 0.00 175.76 178.53 3gq8 h LEU 514 N 5.02 0.15 -8.01 0.00 6.46 -0.95 -1.25 115.31 116.73 3gq8 h LEU 514 Ca -0.27 -0.10 -0.46 0.00 -0.12 0.00 0.00 57.88 56.93 3gq8 h LEU 514 Cb 1.18 -0.04 -0.31 0.00 -0.73 0.00 0.00 40.66 40.76 3gq8 h LEU 514 CO 0.29 0.21 -0.80 -0.69 -0.62 0.00 0.00 178.44 176.83 3gq8 s VAL 515 N -5.79 0.91 -0.01 1.05 1.01 -0.08 -0.29 120.40 117.20 3gq8 s VAL 515 Ca -0.13 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.43 3gq8 s VAL 515 Cb 0.07 -0.81 0.01 0.00 0.00 0.00 0.00 36.38 35.65 3gq8 s VAL 515 CO 0.68 0.28 -0.02 -0.55 0.00 0.00 0.00 175.10 175.49 3gq8 s SER 516 N 0.22 0.36 -0.03 3.32 0.15 -0.07 -0.59 113.70 117.06 3gq8 s SER 516 Ca -0.04 -0.05 0.01 0.00 0.70 0.00 0.00 55.95 56.57 3gq8 s SER 516 Cb -0.10 -0.09 0.02 0.00 -1.71 0.00 0.00 66.02 64.14 3gq8 s SER 516 CO 0.01 -0.00 -0.03 -0.89 1.20 0.00 0.00 173.24 173.52 3gq8 s THR 517 N 0.25 0.41 -0.09 6.45 2.01 -0.10 -0.27 115.64 124.30 3gq8 s THR 517 Ca -0.02 -0.08 -0.25 0.00 0.31 0.00 0.00 61.69 61.64 3gq8 s THR 517 Cb -0.05 -0.43 -0.29 0.00 0.01 0.00 0.00 72.50 71.74 3gq8 s THR 517 CO -0.01 0.18 0.82 0.40 -0.69 0.00 0.00 174.62 175.33 3gq8 h ILE 518 N 5.95 1.63 -4.34 1.82 1.08 -1.51 0.21 117.51 122.36 3gq8 h ILE 518 Ca -0.38 -2.44 -0.51 0.00 -0.39 0.00 0.00 64.86 61.14 3gq8 h ILE 518 Cb 1.15 3.28 0.07 0.00 -3.07 0.00 0.00 36.82 38.25 3gq8 h ILE 518 CO 0.48 0.66 0.40 0.20 -0.69 0.00 0.00 178.15 179.21 3gq8 s ASN 519 N -6.62 6.00 0.16 1.72 0.02 -1.26 -4.17 114.94 110.79 3gq8 s ASN 519 Ca -0.16 1.49 0.25 0.00 -1.02 0.00 0.00 52.86 53.42 3gq8 s ASN 519 Cb -0.01 -2.48 0.46 0.00 0.02 0.00 0.00 41.25 39.24 3gq8 s ASN 519 CO 0.76 -1.03 1.45 0.77 0.02 0.00 0.00 177.10 179.07 3gq8 h SER 520 N -0.35 0.00 -1.52 -1.22 4.64 -1.93 -3.34 113.55 109.83 3gq8 h SER 520 Ca -0.44 -0.14 -0.58 0.00 -0.47 0.00 0.00 61.79 60.16 3gq8 h SER 520 Cb 1.20 0.00 -0.42 0.00 -0.31 0.00 0.00 62.40 62.87 3gq8 h SER 520 CO 0.60 0.07 -0.75 -0.46 -0.87 0.00 0.00 176.83 175.42 3gq8 n ASN 521 N -2.21 4.54 -4.79 4.97 6.94 -1.26 -4.89 115.26 118.56 3gq8 n ASN 521 Ca 0.04 -3.67 -0.33 0.00 -0.02 0.00 0.00 54.58 50.59 3gq8 n ASN 521 Cb 0.44 -0.47 0.01 0.00 -2.36 0.00 0.00 39.78 37.40 3gq8 n ASN 521 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 3gq8 s PRO 522 N -3.52 3.32 -0.18 -0.53 0.04 -1.26 -4.78 135.00 128.10 3gq8 s PRO 522 Ca 0.47 1.35 -0.17 0.00 0.04 0.00 0.00 61.00 62.69 3gq8 s PRO 522 Cb 0.40 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.88 3gq8 s PRO 522 CO -0.18 -0.82 0.46 -1.21 0.04 0.00 0.00 177.00 175.29 3gq8 s GLU 523 N -3.76 4.22 -0.03 4.56 2.02 0.05 -4.72 118.70 121.04 3gq8 s GLU 523 Ca 0.67 0.34 -0.03 0.00 0.02 0.00 0.00 54.97 55.97 3gq8 s GLU 523 Cb -0.18 -3.52 0.01 0.00 0.10 0.00 0.00 34.13 30.54 3gq8 s GLU 523 CO 0.32 -0.03 0.09 0.42 0.02 0.00 0.00 175.26 176.08 3gq8 s ILE 524 N 1.26 -0.01 0.18 -1.63 1.01 -0.92 -0.34 121.20 120.75 3gq8 s ILE 524 Ca 0.23 0.04 -0.21 0.00 0.00 0.00 0.00 60.65 60.70 3gq8 s ILE 524 Cb -0.15 -0.14 0.05 0.00 0.01 0.00 0.00 42.46 42.23 3gq8 s ILE 524 CO 0.09 0.01 0.58 -0.94 0.00 0.00 0.00 174.94 174.69 3gq8 s SER 525 N 0.25 -0.43 -0.72 3.58 1.04 -0.82 -0.52 113.70 116.09 3gq8 s SER 525 Ca -0.02 -0.22 -0.02 0.00 0.48 0.00 0.00 55.95 56.18 3gq8 s SER 525 Cb -0.03 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.70 3gq8 s SER 525 CO -0.01 -1.03 0.61 0.61 0.98 0.00 0.00 173.24 174.39 3gq8 n GLY 526 N -0.37 0.01 3.82 7.32 0.00 -1.26 -1.15 105.19 113.57 3gq8 n GLY 526 Ca -0.14 -0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 3gq8 n GLY 526 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gq8 s LEU 527 N -4.54 4.45 -0.06 0.99 1.43 -1.26 -1.78 118.68 117.91 3gq8 s LEU 527 Ca 0.10 0.92 -0.03 0.00 -1.03 0.00 0.00 54.13 54.09 3gq8 s LEU 527 Cb -0.04 -2.58 0.03 0.00 0.03 0.00 0.00 46.19 43.63 3gq8 s LEU 527 CO 0.42 0.29 0.14 -0.55 0.23 0.00 0.00 176.35 176.87 3gq8 s SER 528 N -0.84 -0.11 0.08 2.29 0.15 -0.50 -4.87 113.70 109.89 3gq8 s SER 528 Ca 0.23 0.28 -0.16 0.00 0.70 0.00 0.00 55.95 57.01 3gq8 s SER 528 Cb -0.16 0.20 0.03 0.00 -1.71 0.00 0.00 66.02 64.38 3gq8 s SER 528 CO 0.12 -0.12 0.38 -0.94 1.20 0.00 0.00 173.24 173.88 3gq8 s SER 529 N 0.90 -0.21 -0.00 5.45 1.04 -1.26 -1.60 113.70 118.02 3gq8 s SER 529 Ca -0.07 -0.19 0.03 0.00 0.48 0.00 0.00 55.95 56.20 3gq8 s SER 529 Cb -0.09 0.43 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 3gq8 s SER 529 CO -0.04 -0.73 -0.09 -0.51 0.98 0.00 0.00 173.24 172.84 3gq8 s ILE 530 N -3.07 0.73 0.00 -1.02 2.07 -0.64 -4.89 121.20 114.36 3gq8 s ILE 530 Ca -0.01 -0.42 0.00 0.00 -1.41 0.00 0.00 60.65 58.80 3gq8 s ILE 530 Cb 0.01 -0.61 0.00 0.00 0.13 0.00 0.00 42.46 41.98 3gq8 s ILE 530 CO -0.07 0.18 0.00 0.61 -1.91 0.00 0.00 174.94 173.76 3gq8 n GLY 531 N 2.79 0.87 3.72 1.50 0.00 -1.26 -0.15 105.19 112.67 3gq8 n GLY 531 Ca -0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 3gq8 n GLY 531 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gq8 s TYR 532 N -3.45 3.44 0.43 1.61 1.51 -1.26 -4.04 117.35 115.58 3gq8 s TYR 532 Ca 0.00 0.51 0.11 0.00 -1.01 0.00 0.00 57.07 56.68 3gq8 s TYR 532 Cb 0.00 -2.29 0.93 0.00 -0.11 0.00 0.00 41.96 40.49 3gq8 s TYR 532 CO 0.00 0.24 1.99 -1.35 -1.11 0.00 0.00 175.55 175.32 3gq8 h PRO 533 N 6.72 0.18 -5.67 -1.71 0.11 -1.80 -3.41 132.00 126.42 3gq8 h PRO 533 Ca -0.41 -0.03 -0.59 0.00 0.11 0.00 0.00 66.00 65.08 3gq8 h PRO 533 Cb 1.16 -0.03 -0.30 0.00 0.11 0.00 0.00 31.00 31.93 3gq8 h PRO 533 CO 0.76 0.26 -0.85 0.99 -0.21 0.00 0.00 178.00 178.95 3gq8 s THR 534 N -4.87 1.56 -0.05 -1.15 2.01 -1.04 -5.05 115.64 107.06 3gq8 s THR 534 Ca -0.05 -0.82 -0.00 0.00 0.31 0.00 0.00 61.69 61.13 3gq8 s THR 534 Cb 0.16 -1.32 -0.00 0.00 0.01 0.00 0.00 72.50 71.35 3gq8 s THR 534 CO 0.71 0.44 -0.01 0.58 -0.69 0.00 0.00 174.62 175.66 3gq8 h VAL 535 N 4.94 0.00 -3.50 3.82 2.07 -1.80 -2.45 116.25 119.34 3gq8 h VAL 535 Ca -0.35 -0.45 -0.65 0.00 0.82 0.00 0.00 66.70 66.07 3gq8 h VAL 535 Cb 1.16 0.00 -0.33 0.00 -1.52 0.00 0.00 31.29 30.60 3gq8 h VAL 535 CO 0.48 0.00 -0.87 0.00 0.02 0.00 0.00 177.57 177.20 3gq8 s ALA 536 N -2.81 1.97 -0.31 1.67 0.00 -0.30 -0.90 121.76 121.08 3gq8 s ALA 536 Ca -0.01 -0.87 -0.02 0.00 0.00 0.00 0.00 51.96 51.06 3gq8 s ALA 536 Cb 0.00 -0.73 0.06 0.00 0.00 0.00 0.00 23.12 22.45 3gq8 s ALA 536 CO 0.01 0.28 0.03 0.50 0.00 0.00 0.00 175.76 176.58 3gq8 s ARG 537 N 0.29 2.38 -0.32 0.00 3.52 0.24 0.13 118.95 125.19 3gq8 s ARG 537 Ca -0.15 -1.33 -0.06 0.00 -0.13 0.00 0.00 55.73 54.07 3gq8 s ARG 537 Cb -0.17 -3.24 0.04 0.00 -1.56 0.00 0.00 34.95 30.02 3gq8 s ARG 537 CO 0.07 -0.68 0.08 0.08 -0.81 0.00 0.00 175.30 174.04 3gq8 s VAL 538 N 1.24 3.64 -1.65 7.11 1.01 0.15 -0.92 120.40 130.98 3gq8 s VAL 538 Ca -0.03 -1.10 -0.13 0.00 0.00 0.00 0.00 61.98 60.72 3gq8 s VAL 538 Cb -0.20 -3.03 0.12 0.00 0.00 0.00 0.00 36.38 33.27 3gq8 s VAL 538 CO -0.01 -0.11 0.55 0.00 0.00 0.00 0.00 175.10 175.53 3gq8 n ALA 539 N 4.78 -1.52 -0.10 5.51 0.00 0.06 -1.48 120.51 127.76 3gq8 n ALA 539 Ca -0.13 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3gq8 n ALA 539 Cb 0.45 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.43 3gq8 n ALA 539 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gq8 n GLY 540 N -1.64 1.26 3.65 0.00 0.00 -1.26 -5.03 105.19 102.17 3gq8 n GLY 540 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 3gq8 n GLY 540 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gq8 s THR 541 N -2.57 4.91 0.01 2.61 2.01 -0.55 -5.08 115.64 116.98 3gq8 s THR 541 Ca 0.00 0.01 -0.17 0.00 0.31 0.00 0.00 61.69 61.83 3gq8 s THR 541 Cb 0.00 -3.22 -0.06 0.00 0.01 0.00 0.00 72.50 69.24 3gq8 s THR 541 CO 0.00 0.46 0.50 -1.81 -0.69 0.00 0.00 174.62 173.07 3gq8 s ASP 542 N 0.37 6.91 -0.21 3.53 1.01 -1.26 -0.67 116.67 126.34 3gq8 s ASP 542 Ca 0.04 1.08 -0.01 0.00 0.71 0.00 0.00 52.55 54.37 3gq8 s ASP 542 Cb -0.12 -2.31 0.06 0.00 1.01 0.00 0.00 42.92 41.56 3gq8 s ASP 542 CO -0.00 0.25 -0.03 -0.31 0.21 0.00 0.00 175.17 175.29 3gq8 s TYR 543 N -0.79 1.85 -0.88 4.23 1.51 0.12 -5.00 117.35 118.37 3gq8 s TYR 543 Ca 0.27 -1.36 0.08 0.00 -1.01 0.00 0.00 57.07 55.05 3gq8 s TYR 543 Cb -0.18 -1.36 0.04 0.00 -0.11 0.00 0.00 41.96 40.35 3gq8 s TYR 543 CO 0.15 -0.70 0.68 0.09 -1.11 0.00 0.00 175.55 174.67 3gq8 n ASN 544 N 4.82 1.45 -0.21 2.29 3.02 -1.26 -1.15 115.26 124.22 3gq8 n ASN 544 Ca -0.11 -1.22 0.08 0.00 -0.03 0.00 0.00 54.58 53.30 3gq8 n ASN 544 Cb 0.46 0.16 0.12 0.00 -0.61 0.00 0.00 39.78 39.91 3gq8 n ASN 544 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3gq8 n ASP 545 N 0.19 1.88 0.00 6.41 8.00 -1.26 -4.82 116.55 126.95 3gq8 n ASP 545 Ca 0.04 -2.95 0.00 0.00 0.71 0.00 0.00 54.79 52.59 3gq8 n ASP 545 Cb 0.18 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 3gq8 n ASP 545 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gq8 n GLY 546 N -1.14 2.64 3.22 0.44 0.00 -1.26 -5.13 105.19 103.97 3gq8 n GLY 546 Ca 0.13 -1.63 -0.12 0.00 0.00 0.00 0.00 46.02 44.40 3gq8 n GLY 546 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gq8 s LEU 547 N 0.00 0.49 -0.14 0.99 2.96 -1.26 -5.03 118.68 116.68 3gq8 s LEU 547 Ca 0.00 0.72 -0.02 0.00 -0.22 0.00 0.00 54.13 54.61 3gq8 s LEU 547 Cb 0.00 1.17 0.04 0.00 0.50 0.00 0.00 46.19 47.90 3gq8 s LEU 547 CO 0.00 -0.14 -0.00 -0.89 -1.32 0.00 0.00 176.35 174.00 3gq8 s THR 548 N 0.55 0.65 -0.13 3.68 2.01 -1.26 -4.06 115.64 117.09 3gq8 s THR 548 Ca -0.03 -0.35 0.02 0.00 0.31 0.00 0.00 61.69 61.64 3gq8 s THR 548 Cb -0.05 -0.94 0.01 0.00 0.01 0.00 0.00 72.50 71.54 3gq8 s THR 548 CO -0.03 0.05 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.01 3gq8 s LEU 549 N 1.83 1.88 0.14 4.42 1.43 0.32 -4.97 118.68 123.72 3gq8 s LEU 549 Ca 0.02 -0.50 0.09 0.00 -1.03 0.00 0.00 54.13 52.70 3gq8 s LEU 549 Cb -0.15 -1.24 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 3gq8 s LEU 549 CO -0.07 0.03 -0.21 -0.36 0.23 0.00 0.00 176.35 175.97 3gq8 s PHE 550 N 0.97 1.93 0.27 0.29 0.40 -1.26 -2.17 117.98 118.40 3gq8 s PHE 550 Ca -0.06 -0.43 0.08 0.00 -0.60 0.00 0.00 56.93 55.93 3gq8 s PHE 550 Cb -0.15 -1.00 -0.04 0.00 0.51 0.00 0.00 43.02 42.34 3gq8 s PHE 550 CO -0.03 0.31 0.11 -0.80 0.70 0.00 0.00 175.22 175.51 3gq8 s ASN 551 N -2.32 5.01 0.00 1.36 0.01 -1.26 -5.04 114.94 112.70 3gq8 s ASN 551 Ca 0.13 -0.48 0.00 0.00 -0.71 0.00 0.00 52.86 51.80 3gq8 s ASN 551 Cb -0.08 -1.08 0.00 0.00 0.41 0.00 0.00 41.25 40.50 3gq8 s ASN 551 CO 0.06 -0.06 0.00 0.61 -1.51 0.00 0.00 177.10 176.21 3gq8 n GLY 552 N -1.06 -2.24 3.53 0.66 0.00 -1.26 -4.85 105.19 99.98 3gq8 n GLY 552 Ca -0.07 -1.52 -0.48 0.00 0.00 0.00 0.00 46.02 43.95 3gq8 n GLY 552 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gq8 n ALA 553 N -0.82 -1.33 -2.83 4.61 0.00 -1.23 -4.79 120.51 114.12 3gq8 n ALA 553 Ca 0.00 0.45 -0.30 0.00 0.00 0.00 0.00 53.44 53.59 3gq8 n ALA 553 Cb 0.00 -1.91 -0.16 0.00 0.00 0.00 0.00 19.45 17.38 3gq8 n ALA 553 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3gq8 s PHE 554 N -0.60 2.28 -0.05 0.00 5.36 -1.06 -5.00 117.98 118.91 3gq8 s PHE 554 Ca 0.68 -0.70 -0.03 0.00 -0.96 0.00 0.00 56.93 55.93 3gq8 s PHE 554 Cb -0.86 -1.50 0.03 0.00 -0.34 0.00 0.00 43.02 40.34 3gq8 s PHE 554 CO 0.56 -0.23 0.12 0.50 -1.46 0.00 0.00 175.22 174.71 3gq8 s ARG 555 N -0.06 0.09 0.05 10.12 3.52 -1.26 -1.97 118.95 129.43 3gq8 s ARG 555 Ca -0.05 0.27 -0.03 0.00 -0.13 0.00 0.00 55.73 55.79 3gq8 s ARG 555 Cb -0.14 -0.10 -0.03 0.00 -1.56 0.00 0.00 34.95 33.12 3gq8 s ARG 555 CO 0.04 -0.11 0.03 0.00 -0.81 0.00 0.00 175.30 174.44 3gq8 s ALA 556 N 0.77 0.22 -1.72 6.12 0.00 -0.93 -4.91 121.76 121.31 3gq8 s ALA 556 Ca -0.06 -0.87 -0.17 0.00 0.00 0.00 0.00 51.96 50.86 3gq8 s ALA 556 Cb -0.08 0.27 0.15 0.00 0.00 0.00 0.00 23.12 23.46 3gq8 s ALA 556 CO -0.03 -0.33 0.62 -1.13 0.00 0.00 0.00 175.76 174.88 3gq8 n SER 557 N 0.52 -2.14 -3.57 0.00 3.41 -1.26 -2.11 113.62 108.46 3gq8 n SER 557 Ca -0.17 -1.11 -0.15 0.00 -0.26 0.00 0.00 58.87 57.18 3gq8 n SER 557 Cb 0.59 -2.31 -0.12 0.00 -0.26 0.00 0.00 64.21 62.11 3gq8 n SER 557 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3gq8 s THR 558 N -3.45 -0.41 0.04 6.66 2.01 -1.26 -2.84 115.64 116.39 3gq8 s THR 558 Ca 0.63 0.11 0.13 0.00 0.31 0.00 0.00 61.69 62.87 3gq8 s THR 558 Cb -0.35 -0.56 -0.01 0.00 0.01 0.00 0.00 72.50 71.58 3gq8 s THR 558 CO 0.96 -0.02 1.48 0.71 -0.69 0.00 0.00 174.62 177.06 3gq8 h THR 559 N 6.28 1.18 -3.36 -0.82 1.35 -1.92 -3.46 112.91 112.16 3gq8 h THR 559 Ca -0.16 -2.41 -0.07 0.00 -0.55 0.00 0.00 66.41 63.22 3gq8 h THR 559 Cb 1.13 2.41 -0.15 0.00 -1.73 0.00 0.00 68.15 69.82 3gq8 h THR 559 CO 0.20 0.62 -0.16 -0.94 -0.25 0.00 0.00 175.52 174.98 3gq8 s SER 560 N -6.57 -0.17 0.19 5.36 1.04 -1.26 -5.10 113.70 107.20 3gq8 s SER 560 Ca 0.02 -0.27 -0.23 0.00 0.48 0.00 0.00 55.95 55.94 3gq8 s SER 560 Cb 0.10 0.42 0.05 0.00 0.10 0.00 0.00 66.02 66.68 3gq8 s SER 560 CO 0.76 -0.74 0.78 -0.94 0.98 0.00 0.00 173.24 174.08 3gq8 s SER 561 N -2.48 -0.31 0.00 7.02 1.04 -1.26 -4.20 113.70 113.52 3gq8 s SER 561 Ca -0.00 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.06 3gq8 s SER 561 Cb 0.01 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.73 3gq8 s SER 561 CO -0.08 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.68 3gq8 n GLY 562 N -0.42 0.43 3.77 7.32 0.00 0.33 -4.94 105.19 111.67 3gq8 n GLY 562 Ca -0.08 -1.59 -0.41 0.00 0.00 0.00 0.00 46.02 43.95 3gq8 n GLY 562 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gq8 s LYS 563 N 0.36 4.33 -0.13 1.61 2.47 -1.26 -4.83 119.74 122.30 3gq8 s LYS 563 Ca 0.00 2.25 0.01 0.00 -1.56 0.00 0.00 55.97 56.67 3gq8 s LYS 563 Cb 0.00 -3.07 0.02 0.00 -1.46 0.00 0.00 37.83 33.31 3gq8 s LYS 563 CO 0.00 -0.25 -0.16 0.42 0.16 0.00 0.00 175.35 175.52 3gq8 s ILE 564 N -0.93 1.61 0.62 5.43 1.01 -1.26 -1.44 121.20 126.25 3gq8 s ILE 564 Ca 0.51 -0.69 -0.17 0.00 0.00 0.00 0.00 60.65 60.29 3gq8 s ILE 564 Cb -0.40 -1.47 -0.02 0.00 0.01 0.00 0.00 42.46 40.57 3gq8 s ILE 564 CO 0.52 0.46 1.17 -2.28 0.00 0.00 0.00 174.94 174.81 3gq8 s HIS 565 N 1.10 2.44 0.43 3.97 5.65 -0.03 -4.72 115.29 124.13 3gq8 s HIS 565 Ca -0.03 1.54 0.39 0.00 0.25 0.00 0.00 55.06 57.21 3gq8 s HIS 565 Cb -0.14 -3.37 2.08 0.00 -1.18 0.00 0.00 32.58 29.97 3gq8 s HIS 565 CO -0.04 -2.04 2.19 0.66 -0.65 0.00 0.00 174.74 174.86 3gq8 h SER 566 N 0.57 0.00 -0.96 9.88 4.64 -1.91 0.41 113.55 126.19 3gq8 h SER 566 Ca -0.49 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.22 3gq8 h SER 566 Cb 1.28 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 63.00 3gq8 h SER 566 CO 0.54 0.00 -0.12 -0.62 -0.87 0.00 0.00 176.83 175.77 3gq8 n GLU 567 N -2.89 3.23 -4.22 4.77 1.02 -1.26 -3.53 120.64 117.77 3gq8 n GLU 567 Ca -0.02 -3.85 -0.15 0.00 -0.02 0.00 0.00 57.16 53.11 3gq8 n GLU 567 Cb 0.08 -2.28 -0.08 0.00 -0.02 0.00 0.00 31.44 29.13 3gq8 n GLU 567 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3gq8 s GLY 568 N -2.84 1.79 0.06 0.62 0.00 0.14 -0.38 107.32 106.70 3gq8 s GLY 568 Ca 0.56 -1.81 -0.24 0.00 0.00 0.00 0.00 44.72 43.23 3gq8 s GLY 568 CO -0.02 -1.36 0.58 -0.11 0.00 0.00 0.00 173.10 172.19 3gq8 s PHE 569 N -3.75 -0.51 -0.04 1.90 -0.71 -1.11 -2.55 117.98 111.22 3gq8 s PHE 569 Ca 0.38 0.57 0.01 0.00 -1.04 0.00 0.00 56.93 56.85 3gq8 s PHE 569 Cb 0.04 0.42 0.02 0.00 -1.21 0.00 0.00 43.02 42.29 3gq8 s PHE 569 CO 0.19 -0.70 -0.06 0.42 -1.34 0.00 0.00 175.22 173.74 3gq8 s ILE 570 N -2.58 0.61 0.03 -4.49 1.01 -0.83 -1.95 121.20 113.00 3gq8 s ILE 570 Ca -0.05 -0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.43 3gq8 s ILE 570 Cb -0.01 -0.61 -0.02 0.00 0.01 0.00 0.00 42.46 41.83 3gq8 s ILE 570 CO -0.03 0.23 -0.05 -0.04 0.00 0.00 0.00 174.94 175.06 3gq8 s MET 571 N 0.75 0.38 -1.51 2.79 -1.94 -0.46 -2.19 119.30 117.11 3gq8 s MET 571 Ca -0.11 -0.61 -0.12 0.00 -1.71 0.00 0.00 55.69 53.13 3gq8 s MET 571 Cb -0.14 -0.07 0.08 0.00 2.01 0.00 0.00 34.83 36.71 3gq8 s MET 571 CO 0.01 -0.00 0.96 0.41 -0.01 0.00 0.00 175.02 176.39 3gq8 n GLY 572 N 1.69 -0.48 3.45 -0.03 0.00 -0.90 -1.42 105.19 107.51 3gq8 n GLY 572 Ca -0.22 0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 3gq8 n GLY 572 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gq8 s SER 573 N -3.41 3.25 0.50 1.61 0.01 -1.16 -2.78 113.70 111.72 3gq8 s SER 573 Ca 0.60 -1.09 0.08 0.00 1.31 0.00 0.00 55.95 56.85 3gq8 s SER 573 Cb -0.30 -0.25 0.08 0.00 0.21 0.00 0.00 66.02 65.76 3gq8 s SER 573 CO 0.83 -0.12 0.63 0.35 0.41 0.00 0.00 173.24 175.34 3gq8 n THR 574 N -0.59 0.00 -0.85 1.44 -2.24 -0.39 -4.32 114.28 107.33 3gq8 n THR 574 Ca -0.06 -1.72 -0.32 0.00 -2.27 0.00 0.00 64.05 59.68 3gq8 n THR 574 Cb 0.61 -0.49 0.15 0.00 -2.10 0.00 0.00 70.33 68.50 3gq8 n THR 574 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3gq8 n SER 575 N -2.31 0.11 0.00 3.42 3.41 -1.26 -4.13 113.62 112.86 3gq8 n SER 575 Ca 0.11 0.46 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 3gq8 n SER 575 Cb 0.53 -1.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.04 3gq8 n SER 575 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gq8 n GLY 576 N 0.60 0.72 3.88 5.00 0.00 -1.26 -1.86 105.19 112.28 3gq8 n GLY 576 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 3gq8 n GLY 576 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gq8 s GLU 578 N -2.86 0.54 -0.40 0.00 -1.05 -0.97 -0.52 118.70 113.44 3gq8 s GLU 578 Ca 0.45 -0.55 0.03 0.00 -0.15 0.00 0.00 54.97 54.76 3gq8 s GLU 578 Cb -0.11 0.22 0.16 0.00 -0.44 0.00 0.00 34.13 33.96 3gq8 s GLU 578 CO 0.23 -0.13 0.31 0.00 0.95 0.00 0.00 175.26 176.62 3gq8 s ALA 579 N -1.91 1.24 -2.48 -0.84 0.00 -0.52 -0.85 121.76 116.40 3gq8 s ALA 579 Ca -0.11 -2.29 0.26 0.00 0.00 0.00 0.00 51.96 49.83 3gq8 s ALA 579 Cb -0.05 -1.60 0.63 0.00 0.00 0.00 0.00 23.12 22.10 3gq8 s ALA 579 CO -0.01 -2.01 1.50 -1.13 0.00 0.00 0.00 175.76 174.12 3gq8 n SER 580 N 3.14 1.93 -4.42 0.00 3.41 -0.58 -0.85 113.62 116.25 3gq8 n SER 580 Ca 0.25 -1.56 -0.21 0.00 -0.26 0.00 0.00 58.87 57.10 3gq8 n SER 580 Cb 0.45 0.07 -0.11 0.00 -0.26 0.00 0.00 64.21 64.37 3gq8 n SER 580 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3gq8 s VAL 581 N -2.13 1.08 0.28 -3.33 -7.23 -1.26 -4.53 120.40 103.28 3gq8 s VAL 581 Ca 0.31 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.17 3gq8 s VAL 581 Cb 0.20 -2.76 -0.12 0.00 0.56 0.00 0.00 36.38 34.26 3gq8 s VAL 581 CO 0.38 -0.01 1.47 -0.24 -0.31 0.00 0.00 175.10 176.39 3gq8 n SER 582 N -0.64 3.21 -3.45 4.85 2.88 -1.26 -3.02 113.62 116.19 3gq8 n SER 582 Ca -0.02 1.16 -0.17 0.00 -1.33 0.00 0.00 58.87 58.50 3gq8 n SER 582 Cb 0.66 -1.51 0.09 0.00 -0.75 0.00 0.00 64.21 62.70 3gq8 n SER 582 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3gq8 n LYS 583 N 1.81 -6.53 -4.29 -1.46 5.02 0.49 -3.60 118.16 109.60 3gq8 n LYS 583 Ca 0.09 0.83 -0.18 0.00 -2.02 0.00 0.00 58.31 57.03 3gq8 n LYS 583 Cb 0.34 -5.82 -0.13 0.00 -0.02 0.00 0.00 35.03 29.40 3gq8 n LYS 583 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3gq8 s SER 584 N -4.35 1.38 0.01 4.39 1.04 -1.17 -0.58 113.70 114.42 3gq8 s SER 584 Ca 0.01 -0.42 -0.27 0.00 0.48 0.00 0.00 55.95 55.75 3gq8 s SER 584 Cb -0.00 -0.08 0.06 0.00 0.10 0.00 0.00 66.02 66.10 3gq8 s SER 584 CO 0.74 0.00 0.62 -0.83 0.98 0.00 0.00 173.24 174.75 3gq8 s GLY 585 N -1.05 -0.54 -0.07 7.32 0.00 -1.17 -2.73 107.32 109.08 3gq8 s GLY 585 Ca -0.00 0.99 0.03 0.00 0.00 0.00 0.00 44.72 45.74 3gq8 s GLY 585 CO 0.01 0.66 -0.16 0.14 0.00 0.00 0.00 173.10 173.74 3gq8 s VAL 586 N -1.88 1.41 0.07 1.40 1.01 -0.82 -1.93 120.40 119.66 3gq8 s VAL 586 Ca -0.08 -0.65 0.09 0.00 0.00 0.00 0.00 61.98 61.34 3gq8 s VAL 586 Cb -0.01 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 3gq8 s VAL 586 CO 0.04 0.42 -0.24 -0.76 0.00 0.00 0.00 175.10 174.55 3gq8 s LEU 587 N 0.50 2.21 -1.55 3.92 1.43 0.61 -1.36 118.68 124.44 3gq8 s LEU 587 Ca -0.14 -0.61 -0.09 0.00 -1.03 0.00 0.00 54.13 52.26 3gq8 s LEU 587 Cb -0.16 -1.13 0.07 0.00 0.03 0.00 0.00 46.19 45.01 3gq8 s LEU 587 CO 0.05 0.19 0.58 0.35 0.23 0.00 0.00 176.35 177.75 3gq8 n THR 588 N 1.55 -2.01 -4.35 5.49 -2.24 -0.50 -2.28 114.28 109.94 3gq8 n THR 588 Ca -0.17 -0.26 -0.18 0.00 -2.27 0.00 0.00 64.05 61.16 3gq8 n THR 588 Cb 0.53 -2.14 -0.10 0.00 -2.10 0.00 0.00 70.33 66.51 3gq8 n THR 588 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3gq8 s SER 589 N -3.85 1.48 -0.00 3.42 0.01 -1.25 -2.40 113.70 111.10 3gq8 s SER 589 Ca 0.36 -1.43 0.03 0.00 1.31 0.00 0.00 55.95 56.22 3gq8 s SER 589 Cb -0.19 0.20 -0.01 0.00 0.21 0.00 0.00 66.02 66.22 3gq8 s SER 589 CO 0.91 -0.76 -0.10 -0.94 0.41 0.00 0.00 173.24 172.76 3gq8 s SER 590 N -3.36 1.19 -1.58 2.44 1.04 -0.58 -1.27 113.70 111.59 3gq8 s SER 590 Ca 0.37 -0.22 -0.06 0.00 0.48 0.00 0.00 55.95 56.52 3gq8 s SER 590 Cb 0.07 -0.12 0.05 0.00 0.10 0.00 0.00 66.02 66.12 3gq8 s SER 590 CO 0.15 0.10 0.27 -1.20 0.98 0.00 0.00 173.24 173.54 3gq8 n SER 591 N 2.69 -0.19 -4.14 7.02 7.64 -0.77 -1.64 113.62 124.23 3gq8 n SER 591 Ca -0.14 -1.18 -0.26 0.00 1.01 0.00 0.00 58.87 58.30 3gq8 n SER 591 Cb 0.56 -2.06 -0.16 0.00 -1.01 0.00 0.00 64.21 61.55 3gq8 n SER 591 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3gq8 s SER 592 N -4.10 2.13 -0.02 6.43 0.01 -1.23 -3.05 113.70 113.87 3gq8 s SER 592 Ca 0.20 -0.34 0.03 0.00 1.31 0.00 0.00 55.95 57.15 3gq8 s SER 592 Cb -0.12 -0.51 -0.00 0.00 0.21 0.00 0.00 66.02 65.60 3gq8 s SER 592 CO 0.97 0.17 -0.11 -0.54 0.41 0.00 0.00 173.24 174.14 3gq8 s LYS 593 N -0.07 1.04 -0.09 12.44 1.02 -0.36 -2.30 119.74 131.41 3gq8 s LYS 593 Ca -0.01 -0.37 0.02 0.00 0.02 0.00 0.00 55.97 55.63 3gq8 s LYS 593 Cb -0.10 -0.97 0.01 0.00 -0.52 0.00 0.00 37.83 36.25 3gq8 s LYS 593 CO 0.01 0.17 -0.15 -0.08 -0.92 0.00 0.00 175.35 174.39 3gq8 s THR 594 N 0.01 1.41 -0.24 2.17 -1.32 -0.03 -1.41 115.64 116.23 3gq8 s THR 594 Ca -0.01 -0.61 0.10 0.00 -1.21 0.00 0.00 61.69 59.96 3gq8 s THR 594 Cb -0.07 -1.28 0.44 0.00 -1.51 0.00 0.00 72.50 70.08 3gq8 s THR 594 CO 0.00 0.42 1.29 -1.54 -2.21 0.00 0.00 174.62 172.58 3gq8 n SER 595 N 3.98 2.08 -4.44 8.08 3.41 -0.13 -1.53 113.62 125.07 3gq8 n SER 595 Ca -0.20 -3.87 -0.38 0.00 -0.26 0.00 0.00 58.87 54.16 3gq8 n SER 595 Cb 0.52 -0.55 -0.12 0.00 -0.26 0.00 0.00 64.21 63.79 3gq8 n SER 595 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3gq8 s SER 596 N -3.07 5.39 -0.01 4.04 0.15 -1.22 -4.73 113.70 114.25 3gq8 s SER 596 Ca 0.40 -0.41 -0.30 0.00 0.70 0.00 0.00 55.95 56.35 3gq8 s SER 596 Cb 0.38 -1.97 -0.06 0.00 -1.71 0.00 0.00 66.02 62.66 3gq8 s SER 596 CO -0.05 -0.13 1.58 -0.70 1.20 0.00 0.00 173.24 175.14 3gq8 s GLU 597 N 1.61 4.21 -0.26 5.44 2.12 -1.24 -3.36 118.70 127.22 3gq8 s GLU 597 Ca 0.05 2.16 -0.08 0.00 0.36 0.00 0.00 54.97 57.46 3gq8 s GLU 597 Cb -0.16 -3.79 0.01 0.00 0.26 0.00 0.00 34.13 30.45 3gq8 s GLU 597 CO 0.05 -0.75 0.29 0.54 -0.54 0.00 0.00 175.26 174.85 3gq8 n ARG 598 N 6.33 -1.77 -3.74 4.30 1.74 0.25 -2.00 116.66 121.77 3gq8 n ARG 598 Ca 0.16 1.69 -0.10 0.00 -0.77 0.00 0.00 57.85 58.83 3gq8 n ARG 598 Cb 0.42 -4.17 -0.06 0.00 -1.02 0.00 0.00 32.46 27.63 3gq8 n ARG 598 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3gq8 s SER 599 N -1.80 -0.08 -0.11 0.55 1.04 -0.59 -1.15 113.70 111.56 3gq8 s SER 599 Ca 0.12 -0.40 -0.06 0.00 0.48 0.00 0.00 55.95 56.09 3gq8 s SER 599 Cb -0.03 0.40 0.05 0.00 0.10 0.00 0.00 66.02 66.53 3gq8 s SER 599 CO 0.51 -0.75 0.26 -0.22 0.98 0.00 0.00 173.24 174.02 3gq8 s LEU 600 N -2.64 0.36 -0.15 2.42 2.96 -0.65 -3.05 118.68 117.93 3gq8 s LEU 600 Ca 0.02 0.55 -0.02 0.00 -0.22 0.00 0.00 54.13 54.46 3gq8 s LEU 600 Cb 0.02 0.78 -0.02 0.00 0.50 0.00 0.00 46.19 47.48 3gq8 s LEU 600 CO -0.09 -0.17 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.05 3gq8 s ILE 601 N 1.29 3.40 0.02 6.68 1.01 -0.81 -1.24 121.20 131.55 3gq8 s ILE 601 Ca -0.09 -0.53 -0.00 0.00 0.00 0.00 0.00 60.65 60.03 3gq8 s ILE 601 Cb -0.10 -2.47 -0.02 0.00 0.01 0.00 0.00 42.46 39.88 3gq8 s ILE 601 CO -0.09 0.50 -0.03 0.00 0.00 0.00 0.00 174.94 175.32 3gq8 s ALA 602 N 0.49 0.15 -1.48 9.38 0.00 0.00 -0.28 121.76 130.02 3gq8 s ALA 602 Ca -0.06 -0.62 -0.07 0.00 0.00 0.00 0.00 51.96 51.21 3gq8 s ALA 602 Cb -0.15 0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.15 3gq8 s ALA 602 CO 0.04 -0.17 0.67 0.41 0.00 0.00 0.00 175.76 176.71 3gq8 n GLY 603 N 1.53 -0.52 3.41 0.00 0.00 -0.96 -1.51 105.19 107.13 3gq8 n GLY 603 Ca -0.24 0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 3gq8 n GLY 603 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gq8 s SER 604 N -2.81 2.32 0.05 1.61 0.01 -1.20 -3.02 113.70 110.66 3gq8 s SER 604 Ca 0.38 -1.28 0.03 0.00 1.31 0.00 0.00 55.95 56.39 3gq8 s SER 604 Cb -0.18 -0.08 -0.03 0.00 0.21 0.00 0.00 66.02 65.95 3gq8 s SER 604 CO 0.47 -0.51 -0.10 -0.94 0.41 0.00 0.00 173.24 172.56 3gq8 s SER 605 N -3.42 1.20 -1.75 2.44 1.04 -0.12 -1.52 113.70 111.56 3gq8 s SER 605 Ca 0.32 -0.58 -0.16 0.00 0.48 0.00 0.00 55.95 56.02 3gq8 s SER 605 Cb 0.07 0.00 0.15 0.00 0.10 0.00 0.00 66.02 66.34 3gq8 s SER 605 CO 0.13 -0.15 0.43 0.35 0.98 0.00 0.00 173.24 174.98 3gq8 n THR 606 N 1.38 -0.50 -4.28 2.02 -2.24 -0.65 -0.98 114.28 109.02 3gq8 n THR 606 Ca -0.22 -0.17 -0.25 0.00 -2.27 0.00 0.00 64.05 61.14 3gq8 n THR 606 Cb 0.54 -0.84 -0.08 0.00 -2.10 0.00 0.00 70.33 67.86 3gq8 n THR 606 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3gq8 s SER 607 N -3.63 4.44 -0.10 3.42 0.01 -1.24 -3.32 113.70 113.29 3gq8 s SER 607 Ca 0.55 -0.59 -0.05 0.00 1.31 0.00 0.00 55.95 57.17 3gq8 s SER 607 Cb -0.32 -0.81 0.04 0.00 0.21 0.00 0.00 66.02 65.15 3gq8 s SER 607 CO 1.01 0.06 0.23 -0.70 0.41 0.00 0.00 173.24 174.24 3gq8 s GLU 608 N -3.23 0.19 -0.16 12.44 2.12 0.04 -1.22 118.70 128.88 3gq8 s GLU 608 Ca 0.28 0.50 -0.01 0.00 0.36 0.00 0.00 54.97 56.10 3gq8 s GLU 608 Cb -0.08 -0.13 -0.01 0.00 0.26 0.00 0.00 34.13 34.17 3gq8 s GLU 608 CO 0.18 -0.16 -0.10 0.00 -0.54 0.00 0.00 175.26 174.63 3gq8 s ALA 609 N 1.24 2.69 0.00 6.30 0.00 -0.50 -1.41 121.76 130.08 3gq8 s ALA 609 Ca -0.09 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.89 3gq8 s ALA 609 Cb -0.11 -1.38 0.00 0.00 0.00 0.00 0.00 23.12 21.64 3gq8 s ALA 609 CO -0.08 0.03 0.73 0.36 0.00 0.00 0.00 175.76 176.80 3gq8 n LYS 610 N 3.93 0.00 0.00 0.00 2.85 0.10 -0.96 118.16 124.08 3gq8 n LYS 610 Ca -0.18 -0.73 0.00 0.00 -1.05 0.00 0.00 58.31 56.35 3gq8 n LYS 610 Cb 0.52 -0.48 0.00 0.00 -0.65 0.00 0.00 35.03 34.42 3gq8 n LYS 610 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3gq8 n GLY 611 N 0.00 0.48 3.17 2.58 0.00 -1.23 -4.76 105.19 105.43 3gq8 n GLY 611 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3gq8 n GLY 611 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gq8 s THR 612 N 3.51 0.15 -1.46 2.61 -4.23 -1.26 -3.67 115.64 111.28 3gq8 s THR 612 Ca 0.00 -1.22 -0.08 0.00 -1.18 0.00 0.00 61.69 59.21 3gq8 s THR 612 Cb 0.00 -1.25 0.05 0.00 1.34 0.00 0.00 72.50 72.65 3gq8 s THR 612 CO 0.00 -0.67 0.80 -1.22 -0.54 0.00 0.00 174.62 172.99 3gq8 n TYR 613 N 0.18 -2.05 -3.94 3.99 4.02 -0.30 -0.38 117.16 118.67 3gq8 n TYR 613 Ca -0.16 0.86 -0.36 0.00 -0.01 0.00 0.00 57.90 58.22 3gq8 n TYR 613 Cb 0.61 -3.99 -0.06 0.00 -0.02 0.00 0.00 39.34 35.88 3gq8 n TYR 613 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3gq8 s ASN 614 N -3.78 6.24 -0.08 7.72 0.01 -0.98 -3.31 114.94 120.75 3gq8 s ASN 614 Ca 0.38 0.41 0.02 0.00 -0.71 0.00 0.00 52.86 52.95 3gq8 s ASN 614 Cb -0.19 -1.99 0.02 0.00 0.41 0.00 0.00 41.25 39.50 3gq8 s ASN 614 CO 0.84 0.39 -0.11 -0.89 -1.51 0.00 0.00 177.10 175.81 3gq8 s THR 615 N -1.05 1.15 -0.11 1.60 2.01 -1.19 -1.64 115.64 116.42 3gq8 s THR 615 Ca 0.16 -0.45 -0.00 0.00 0.31 0.00 0.00 61.69 61.71 3gq8 s THR 615 Cb -0.12 -1.08 0.02 0.00 0.01 0.00 0.00 72.50 71.34 3gq8 s THR 615 CO 0.06 0.37 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.66 3gq8 s ILE 616 N 0.95 0.95 -0.03 1.82 1.01 -0.37 -1.26 121.20 124.27 3gq8 s ILE 616 Ca -0.09 -0.24 0.03 0.00 0.00 0.00 0.00 60.65 60.34 3gq8 s ILE 616 Cb -0.15 -0.99 0.01 0.00 0.01 0.00 0.00 42.46 41.34 3gq8 s ILE 616 CO 0.00 0.36 -0.10 -0.76 0.00 0.00 0.00 174.94 174.44 3gq8 s LEU 617 N 1.72 1.75 -1.36 2.97 1.43 -0.42 -0.82 118.68 123.95 3gq8 s LEU 617 Ca 0.05 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 52.93 3gq8 s LEU 617 Cb -0.13 -0.61 -0.00 0.00 0.03 0.00 0.00 46.19 45.49 3gq8 s LEU 617 CO -0.08 0.06 0.52 0.61 0.23 0.00 0.00 176.35 177.69 3gq8 n GLY 618 N 3.38 -0.28 3.27 -3.19 0.00 -0.57 -1.75 105.19 106.05 3gq8 n GLY 618 Ca -0.19 0.16 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 3gq8 n GLY 618 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gq8 s SER 619 N -4.33 1.90 -0.08 1.61 0.01 -1.21 -3.08 113.70 108.53 3gq8 s SER 619 Ca 0.02 -1.03 0.01 0.00 1.31 0.00 0.00 55.95 56.26 3gq8 s SER 619 Cb -0.01 -0.03 0.02 0.00 0.21 0.00 0.00 66.02 66.22 3gq8 s SER 619 CO 0.86 -0.32 -0.08 -0.22 0.41 0.00 0.00 173.24 173.89 3gq8 s LEU 620 N -3.20 1.34 -1.38 2.44 0.20 -0.14 -0.95 118.68 116.99 3gq8 s LEU 620 Ca 0.18 -0.25 -0.09 0.00 0.69 0.00 0.00 54.13 54.67 3gq8 s LEU 620 Cb 0.02 -0.73 0.03 0.00 -0.43 0.00 0.00 46.19 45.08 3gq8 s LEU 620 CO 0.02 -0.05 1.09 0.61 -0.29 0.00 0.00 176.35 177.72 3gq8 n GLY 621 N 4.36 -0.50 3.87 7.98 0.00 -0.15 -0.25 105.19 120.49 3gq8 n GLY 621 Ca -0.18 0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 3gq8 n GLY 621 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gq8 s ALA 622 N -3.34 3.85 -0.08 4.61 0.00 -1.25 -2.62 121.76 122.92 3gq8 s ALA 622 Ca 0.50 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.77 3gq8 s ALA 622 Cb -0.23 -1.88 0.02 0.00 0.00 0.00 0.00 23.12 21.02 3gq8 s ALA 622 CO 0.76 0.66 -0.10 0.08 0.00 0.00 0.00 175.76 177.17 3gq8 s VAL 623 N -1.13 1.03 -0.30 0.00 1.01 -0.22 -0.78 120.40 120.01 3gq8 s VAL 623 Ca 0.19 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 61.76 3gq8 s VAL 623 Cb -0.12 -0.98 0.03 0.00 0.00 0.00 0.00 36.38 35.31 3gq8 s VAL 623 CO 0.09 0.34 0.02 0.00 0.00 0.00 0.00 175.10 175.56 3gq8 s ALA 624 N 1.04 2.88 -0.11 5.51 0.00 -0.50 -0.45 121.76 130.14 3gq8 s ALA 624 Ca -0.08 -1.63 0.14 0.00 0.00 0.00 0.00 51.96 50.39 3gq8 s ALA 624 Cb -0.15 -1.99 0.31 0.00 0.00 0.00 0.00 23.12 21.29 3gq8 s ALA 624 CO -0.01 -1.12 1.15 -0.40 0.00 0.00 0.00 175.76 175.38 3gq8 n ASP 625 N 4.72 1.44 -4.10 0.00 5.75 -0.82 -0.72 116.55 122.82 3gq8 n ASP 625 Ca -0.14 -2.94 -0.07 0.00 -0.01 0.00 0.00 54.79 51.62 3gq8 n ASP 625 Cb 0.45 -0.40 -0.10 0.00 -1.03 0.00 0.00 41.12 40.05 3gq8 n ASP 625 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 3gq8 s GLU 626 N -1.90 0.64 0.15 0.11 2.56 -1.26 -4.39 118.70 114.61 3gq8 s GLU 626 Ca 0.29 -1.24 -0.34 0.00 0.00 0.00 0.00 54.97 53.68 3gq8 s GLU 626 Cb 0.28 0.21 -0.14 0.00 2.00 0.00 0.00 34.13 36.49 3gq8 s GLU 626 CO -0.05 -0.12 1.60 0.00 -0.56 0.00 0.00 175.26 176.13 3gq8 n GLN 627 N 0.09 2.17 -1.06 4.30 10.64 -1.26 -1.73 117.38 130.53 3gq8 n GLN 627 Ca -0.13 0.78 -0.02 0.00 -1.83 0.00 0.00 57.00 55.80 3gq8 n GLN 627 Cb 0.61 -2.56 -0.01 0.00 -0.86 0.00 0.00 30.24 27.42 3gq8 n GLN 627 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 3gq8 n PHE 628 N 3.65 0.00 -2.71 2.61 3.01 0.48 -1.66 117.46 122.85 3gq8 n PHE 628 Ca 0.17 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.29 3gq8 n PHE 628 Cb 0.29 -1.29 -0.06 0.00 -0.01 0.00 0.00 39.48 38.42 3gq8 n PHE 628 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3gq8 s ALA 629 N -1.60 3.02 0.07 4.37 0.00 -0.71 -3.58 121.76 123.33 3gq8 s ALA 629 Ca 0.00 0.50 -0.23 0.00 0.00 0.00 0.00 51.96 52.23 3gq8 s ALA 629 Cb 0.00 -3.19 0.06 0.00 0.00 0.00 0.00 23.12 19.98 3gq8 s ALA 629 CO 0.00 -0.02 0.55 0.00 0.00 0.00 0.00 175.76 176.29 3gq8 s ALA 630 N -2.01 -1.41 -0.04 0.00 0.00 -0.28 -3.16 121.76 114.87 3gq8 s ALA 630 Ca 0.62 0.60 -0.03 0.00 0.00 0.00 0.00 51.96 53.14 3gq8 s ALA 630 Cb -0.13 0.49 0.01 0.00 0.00 0.00 0.00 23.12 23.49 3gq8 s ALA 630 CO 0.18 -0.56 0.10 -0.51 0.00 0.00 0.00 175.76 174.96 3gq8 s LEU 631 N -2.14 1.50 -0.05 0.00 1.02 -0.39 -1.11 118.68 117.51 3gq8 s LEU 631 Ca -0.04 0.20 0.00 0.00 0.02 0.00 0.00 54.13 54.31 3gq8 s LEU 631 Cb -0.00 0.32 0.02 0.00 0.02 0.00 0.00 46.19 46.55 3gq8 s LEU 631 CO -0.04 -0.05 -0.02 -0.63 0.02 0.00 0.00 176.35 175.63 3gq8 s ILE 632 N 0.23 0.41 -1.21 -0.59 1.01 -0.45 -1.30 121.20 119.30 3gq8 s ILE 632 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 60.65 60.61 3gq8 s ILE 632 Cb -0.02 -0.49 -0.01 0.00 0.01 0.00 0.00 42.46 41.94 3gq8 s ILE 632 CO -0.01 0.22 0.86 -1.20 0.00 0.00 0.00 174.94 174.81 3gq8 n SER 633 N 4.42 -2.78 -4.23 3.58 7.64 -0.72 -1.94 113.62 119.61 3gq8 n SER 633 Ca -0.19 -0.74 -0.23 0.00 1.01 0.00 0.00 58.87 58.72 3gq8 n SER 633 Cb 0.50 -4.60 -0.13 0.00 -1.01 0.00 0.00 64.21 58.97 3gq8 n SER 633 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gq8 s ALA 634 N -3.49 1.55 -0.03 -0.43 0.00 -1.25 -2.04 121.76 116.08 3gq8 s ALA 634 Ca 0.12 -1.06 0.05 0.00 0.00 0.00 0.00 51.96 51.07 3gq8 s ALA 634 Cb -0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.85 3gq8 s ALA 634 CO 0.77 0.31 -0.19 -1.12 0.00 0.00 0.00 175.76 175.54 3gq8 s SER 635 N -1.49 2.28 -1.35 0.00 0.01 -0.07 -0.97 113.70 112.11 3gq8 s SER 635 Ca 0.04 -0.37 -0.06 0.00 1.31 0.00 0.00 55.95 56.88 3gq8 s SER 635 Cb -0.09 -0.48 0.00 0.00 0.21 0.00 0.00 66.02 65.66 3gq8 s SER 635 CO 0.03 0.20 0.48 0.00 0.41 0.00 0.00 173.24 174.35 3gq8 n GLN 636 N 2.91 -2.59 -4.12 12.44 1.13 0.65 -1.21 117.38 126.59 3gq8 n GLN 636 Ca -0.17 0.38 -0.10 0.00 -1.94 0.00 0.00 57.00 55.17 3gq8 n GLN 636 Cb 0.53 -4.28 -0.10 0.00 0.11 0.00 0.00 30.24 26.49 3gq8 n GLN 636 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 3gq8 s SER 637 N -4.15 0.90 -0.08 1.08 0.01 -1.08 -2.28 113.70 108.10 3gq8 s SER 637 Ca 0.12 -0.86 -0.01 0.00 1.31 0.00 0.00 55.95 56.52 3gq8 s SER 637 Cb -0.05 0.10 0.03 0.00 0.21 0.00 0.00 66.02 66.31 3gq8 s SER 637 CO 0.89 -0.41 -0.03 -0.60 0.41 0.00 0.00 173.24 173.50 3gq8 s ARG 638 N -3.13 0.89 -0.37 12.44 3.52 -0.34 -1.06 118.95 130.90 3gq8 s ARG 638 Ca 0.04 -0.03 -0.13 0.00 -0.13 0.00 0.00 55.73 55.48 3gq8 s ARG 638 Cb 0.01 -1.09 0.00 0.00 -1.56 0.00 0.00 34.95 32.31 3gq8 s ARG 638 CO -0.04 -0.24 0.26 0.00 -0.81 0.00 0.00 175.30 174.46 3gq8 s ALA 639 N 1.67 3.46 -0.08 6.12 0.00 0.41 -1.08 121.76 132.25 3gq8 s ALA 639 Ca 0.01 -1.56 0.01 0.00 0.00 0.00 0.00 51.96 50.43 3gq8 s ALA 639 Cb -0.13 -2.73 0.03 0.00 0.00 0.00 0.00 23.12 20.28 3gq8 s ALA 639 CO -0.05 -1.21 1.00 0.43 0.00 0.00 0.00 175.76 175.93 3gq8 n SER 640 N 5.11 2.03 -4.93 0.00 7.64 0.09 -1.95 113.62 121.61 3gq8 n SER 640 Ca -0.12 -1.95 -0.25 0.00 1.01 0.00 0.00 58.87 57.55 3gq8 n SER 640 Cb 0.48 -0.02 -0.02 0.00 -1.01 0.00 0.00 64.21 63.65 3gq8 n SER 640 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3gq8 s GLY 641 N -0.96 1.49 -0.07 0.23 0.00 -1.23 -4.62 107.32 102.16 3gq8 s GLY 641 Ca 0.02 -0.78 -0.30 0.00 0.00 0.00 0.00 44.72 43.66 3gq8 s GLY 641 CO 0.01 -0.70 1.64 0.21 0.00 0.00 0.00 173.10 174.26 3gq8 s ASN 642 N -3.81 6.64 -1.51 1.64 2.47 -1.25 -2.68 114.94 116.45 3gq8 s ASN 642 Ca 0.42 2.16 -0.13 0.00 0.42 0.00 0.00 52.86 55.72 3gq8 s ASN 642 Cb -0.10 -2.53 0.08 0.00 -1.45 0.00 0.00 41.25 37.24 3gq8 s ASN 642 CO 0.35 -0.96 1.02 1.41 -3.72 0.00 0.00 177.10 175.21 3gq8 n HIS 643 N 7.27 -2.41 -3.54 0.43 8.25 -0.66 -0.11 115.22 124.45 3gq8 n HIS 643 Ca 0.17 0.93 -0.39 0.00 -0.26 0.00 0.00 57.72 58.17 3gq8 n HIS 643 Cb 0.43 -4.15 -0.11 0.00 1.12 0.00 0.00 29.99 27.29 3gq8 n HIS 643 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3gq8 s ASN 644 N -3.30 6.07 -0.13 0.41 2.47 -1.09 -3.47 114.94 115.89 3gq8 s ASN 644 Ca 0.66 -0.06 -0.01 0.00 0.42 0.00 0.00 52.86 53.87 3gq8 s ASN 644 Cb -0.32 -2.14 -0.02 0.00 -1.45 0.00 0.00 41.25 37.32 3gq8 s ASN 644 CO 0.82 -0.12 -0.11 -0.22 -3.72 0.00 0.00 177.10 173.74 3gq8 s LEU 645 N 1.81 2.84 -0.13 3.21 2.96 -0.53 -1.12 118.68 127.72 3gq8 s LEU 645 Ca 0.08 -0.28 -0.03 0.00 -0.22 0.00 0.00 54.13 53.69 3gq8 s LEU 645 Cb -0.16 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.85 3gq8 s LEU 645 CO 0.11 0.17 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.65 3gq8 s ILE 646 N 0.31 3.95 -0.01 6.68 1.01 -0.27 -0.37 121.20 132.50 3gq8 s ILE 646 Ca -0.09 -0.35 0.05 0.00 0.00 0.00 0.00 60.65 60.25 3gq8 s ILE 646 Cb -0.15 -2.70 -0.01 0.00 0.01 0.00 0.00 42.46 39.61 3gq8 s ILE 646 CO 0.05 0.53 -0.15 -0.76 0.00 0.00 0.00 174.94 174.61 3gq8 s LEU 647 N -0.06 2.03 -1.20 2.97 1.43 -0.67 -1.34 118.68 121.84 3gq8 s LEU 647 Ca 0.02 -0.27 -0.15 0.00 -1.03 0.00 0.00 54.13 52.69 3gq8 s LEU 647 Cb -0.13 -0.75 -0.01 0.00 0.03 0.00 0.00 46.19 45.33 3gq8 s LEU 647 CO 0.02 0.18 0.72 -1.20 0.23 0.00 0.00 176.35 176.30 3gq8 n SER 648 N 2.68 -4.06 -4.11 2.29 7.64 -0.82 -4.43 113.62 112.81 3gq8 n SER 648 Ca -0.14 -0.99 -0.08 0.00 1.01 0.00 0.00 58.87 58.66 3gq8 n SER 648 Cb 0.55 -3.43 -0.10 0.00 -1.01 0.00 0.00 64.21 60.22 3gq8 n SER 648 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3gq8 s SER 649 N -3.71 0.64 -0.02 6.43 0.01 -1.00 -4.50 113.70 111.54 3gq8 s SER 649 Ca 0.35 -1.02 0.02 0.00 1.31 0.00 0.00 55.95 56.61 3gq8 s SER 649 Cb -0.12 0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.29 3gq8 s SER 649 CO 0.86 -0.58 -0.06 -0.47 0.41 0.00 0.00 173.24 173.40 3gq8 s TYR 650 N -3.86 0.69 -1.09 2.43 5.04 -0.66 -0.90 117.35 119.01 3gq8 s TYR 650 Ca 0.09 -0.15 -0.03 0.00 -2.44 0.00 0.00 57.07 54.54 3gq8 s TYR 650 Cb 0.07 -0.51 0.00 0.00 0.35 0.00 0.00 41.96 41.88 3gq8 s TYR 650 CO -0.08 -0.07 0.40 0.41 -1.34 0.00 0.00 175.55 174.87 3gq8 n GLY 651 N 3.30 -0.15 3.38 8.97 0.00 -0.35 -0.72 105.19 119.61 3gq8 n GLY 651 Ca -0.18 -0.16 -0.26 0.00 0.00 0.00 0.00 46.02 45.43 3gq8 n GLY 651 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gq8 s ILE 652 N -2.97 2.14 -0.12 -0.61 -4.36 -1.22 -3.74 121.20 110.33 3gq8 s ILE 652 Ca 0.20 -1.87 0.01 0.00 -0.26 0.00 0.00 60.65 58.73 3gq8 s ILE 652 Cb -0.09 -1.96 0.02 0.00 1.25 0.00 0.00 42.46 41.68 3gq8 s ILE 652 CO 0.25 -0.08 -0.12 0.20 0.24 0.00 0.00 174.94 175.43 3gq8 s ASN 653 N -2.39 2.32 0.18 4.36 0.01 -1.26 -1.20 114.94 116.97 3gq8 s ASN 653 Ca 0.16 -0.38 0.11 0.00 -0.71 0.00 0.00 52.86 52.04 3gq8 s ASN 653 Cb -0.08 -0.98 -0.04 0.00 0.41 0.00 0.00 41.25 40.55 3gq8 s ASN 653 CO 0.07 -0.06 -0.23 0.42 -1.51 0.00 0.00 177.10 175.80 3gq8 s THR 654 N 1.37 2.44 0.00 1.60 -4.23 -0.24 -4.97 115.64 111.62 3gq8 s THR 654 Ca 0.00 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 3gq8 s THR 654 Cb -0.13 -2.17 0.00 0.00 1.34 0.00 0.00 72.50 71.54 3gq8 s THR 654 CO -0.06 -0.09 0.18 0.35 -0.54 0.00 0.00 174.62 174.46 3gq8 n THR 655 N 0.32 0.03 -2.30 3.99 -2.24 -1.26 -0.73 114.28 112.09 3gq8 n THR 655 Ca -0.13 -0.10 -0.33 0.00 -2.27 0.00 0.00 64.05 61.22 3gq8 n THR 655 Cb 0.56 1.65 -0.02 0.00 -2.10 0.00 0.00 70.33 70.42 3gq8 n THR 655 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3gq8 s GLY 656 N -0.03 2.21 -0.05 3.38 0.00 -1.26 -4.09 107.32 107.48 3gq8 s GLY 656 Ca 0.00 0.39 -0.20 0.00 0.00 0.00 0.00 44.72 44.90 3gq8 s GLY 656 CO 0.00 0.69 0.58 -0.56 0.00 0.00 0.00 173.10 173.81 3gq8 s SER 657 N -2.64 6.88 -1.31 1.64 0.01 -1.26 -3.76 113.70 113.26 3gq8 s SER 657 Ca 0.63 1.06 -0.00 0.00 1.31 0.00 0.00 55.95 58.94 3gq8 s SER 657 Cb -0.14 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.74 3gq8 s SER 657 CO 0.30 0.03 0.71 -1.22 0.41 0.00 0.00 173.24 173.47 3gq8 n TYR 658 N 3.22 -1.92 -4.86 2.43 4.02 0.84 -4.53 117.16 116.35 3gq8 n TYR 658 Ca -0.06 0.84 -0.26 0.00 -0.01 0.00 0.00 57.90 58.42 3gq8 n TYR 658 Cb 0.51 -4.40 -0.16 0.00 -0.02 0.00 0.00 39.34 35.28 3gq8 n TYR 658 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 3gq8 s LYS 659 N -5.98 1.57 -0.19 -0.72 -0.14 -1.23 -0.61 119.74 112.44 3gq8 s LYS 659 Ca 0.02 -0.64 -0.08 0.00 -1.36 0.00 0.00 55.97 53.91 3gq8 s LYS 659 Cb -0.01 -1.46 -0.04 0.00 -1.68 0.00 0.00 37.83 34.63 3gq8 s LYS 659 CO 0.81 0.34 0.09 0.08 -0.76 0.00 0.00 175.35 175.91 3gq8 s VAL 660 N -0.28 4.98 0.11 3.17 1.01 -0.24 -1.45 120.40 127.70 3gq8 s VAL 660 Ca 0.04 0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.11 3gq8 s VAL 660 Cb -0.08 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 3gq8 s VAL 660 CO 0.00 0.45 -0.15 0.20 0.00 0.00 0.00 175.10 175.60 3gq8 s ASN 661 N 0.44 2.04 0.07 3.32 0.01 0.50 -0.75 114.94 120.56 3gq8 s ASN 661 Ca 0.05 -0.76 -0.04 0.00 -0.71 0.00 0.00 52.86 51.40 3gq8 s ASN 661 Cb -0.12 -0.08 -0.03 0.00 0.41 0.00 0.00 41.25 41.43 3gq8 s ASN 661 CO -0.00 -0.10 0.05 -0.83 -1.51 0.00 0.00 177.10 174.71 3gq8 s GLY 662 N -2.25 0.36 0.00 0.66 0.00 -1.03 -1.68 107.32 103.38 3gq8 s GLY 662 Ca 0.07 -1.01 0.00 0.00 0.00 0.00 0.00 44.72 43.77 3gq8 s GLY 662 CO 0.03 -1.14 0.00 0.61 0.00 0.00 0.00 173.10 172.60 3gq8 n GLY 663 N 0.04 -1.24 2.89 0.20 0.00 -1.26 -0.77 105.19 105.04 3gq8 n GLY 663 Ca -0.14 -0.95 -0.10 0.00 0.00 0.00 0.00 46.02 44.83 3gq8 n GLY 663 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3gq8 s PHE 664 N -2.45 -0.91 0.00 1.61 5.36 -1.23 -1.66 117.98 118.70 3gq8 s PHE 664 Ca 0.00 0.30 0.00 0.00 -0.96 0.00 0.00 56.93 56.27 3gq8 s PHE 664 Cb 0.00 -0.19 0.00 0.00 -0.34 0.00 0.00 43.02 42.49 3gq8 s PHE 664 CO 0.00 -0.95 0.00 0.39 -1.46 0.00 0.00 175.22 173.20 3gq8 n GLU 665 N 5.35 0.00 -4.14 10.12 1.02 0.10 -4.83 120.64 128.26 3gq8 n GLU 665 Ca -0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.00 3gq8 n GLU 665 Cb 0.49 -0.97 -0.11 0.00 -0.02 0.00 0.00 31.44 30.83 3gq8 n GLU 665 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 3gq8 s LYS 666 N 0.00 0.74 0.20 3.49 -2.85 -1.26 -4.73 119.74 115.33 3gq8 s LYS 666 Ca 0.00 -1.05 -0.31 0.00 -1.00 0.00 0.00 55.97 53.61 3gq8 s LYS 666 Cb 0.00 -0.41 -0.10 0.00 -2.06 0.00 0.00 37.83 35.26 3gq8 s LYS 666 CO 0.00 0.06 1.57 0.42 0.10 0.00 0.00 175.35 177.50 3gq8 s ILE 667 N -2.26 2.47 0.00 3.79 1.01 -1.26 -4.41 121.20 120.53 3gq8 s ILE 667 Ca 0.01 0.35 0.00 0.00 0.00 0.00 0.00 60.65 61.02 3gq8 s ILE 667 Cb -0.04 -3.23 0.00 0.00 0.01 0.00 0.00 42.46 39.20 3gq8 s ILE 667 CO -0.01 0.04 0.00 0.59 0.00 0.00 0.00 174.94 175.56 3gq8 n ASN 668 N 3.48 4.46 -3.79 3.58 5.03 0.05 -4.83 115.26 123.25 3gq8 n ASN 668 Ca 0.12 -0.04 -0.10 0.00 0.87 0.00 0.00 54.58 55.44 3gq8 n ASN 668 Cb 0.38 0.97 -0.06 0.00 -1.02 0.00 0.00 39.78 40.05 3gq8 n ASN 668 CO 0.00 0.00 0.00 -1.66 -1.83 0.00 0.00 177.26 173.77 3gq8 s TRP 669 N -1.86 0.05 -0.15 3.10 1.48 -0.83 -0.65 118.94 120.07 3gq8 s TRP 669 Ca 0.00 -0.42 -0.11 0.00 -1.06 0.00 0.00 56.10 54.51 3gq8 s TRP 669 Cb 0.00 0.10 0.05 0.00 -1.16 0.00 0.00 33.47 32.46 3gq8 s TRP 669 CO 0.00 -0.67 0.38 -2.00 -4.06 0.00 0.00 176.95 170.60 3gq8 s GLU 670 N -3.86 0.40 -0.32 3.25 2.12 -0.09 -2.48 118.70 117.72 3gq8 s GLU 670 Ca 0.07 0.63 -0.07 0.00 0.36 0.00 0.00 54.97 55.96 3gq8 s GLU 670 Cb 0.03 0.09 0.02 0.00 0.26 0.00 0.00 34.13 34.54 3gq8 s GLU 670 CO -0.08 -0.10 0.10 -0.51 -0.54 0.00 0.00 175.26 174.12 3gq8 s LEU 671 N 0.76 4.14 -0.58 2.70 1.43 0.07 -1.43 118.68 125.77 3gq8 s LEU 671 Ca -0.05 -0.94 -0.15 0.00 -1.03 0.00 0.00 54.13 51.96 3gq8 s LEU 671 Cb -0.06 -1.89 0.14 0.00 0.03 0.00 0.00 46.19 44.42 3gq8 s LEU 671 CO -0.05 -0.27 0.53 -0.62 0.23 0.00 0.00 176.35 176.17 3gq8 s ASP 672 N 1.46 6.25 0.42 2.29 3.68 0.58 -1.08 116.67 130.28 3gq8 s ASP 672 Ca 0.01 -1.92 0.18 0.00 2.13 0.00 0.00 52.55 52.94 3gq8 s ASP 672 Cb -0.18 -2.20 0.95 0.00 -1.45 0.00 0.00 42.92 40.03 3gq8 s ASP 672 CO 0.03 -0.81 1.90 0.28 0.13 0.00 0.00 175.17 176.70 3gq8 h SER 673 N 8.72 0.00 0.03 -0.34 0.02 -1.15 0.62 113.55 121.44 3gq8 h SER 673 Ca -0.24 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.71 3gq8 h SER 673 Cb 1.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.63 3gq8 h SER 673 CO 0.99 0.28 -0.01 0.25 -1.14 0.00 0.00 176.83 177.20 3gq8 h LEU 674 N 0.00 -0.03 -0.64 5.07 6.46 -1.78 -3.36 115.31 121.03 3gq8 h LEU 674 Ca -0.00 -0.40 0.00 0.00 -0.12 0.00 0.00 57.88 57.36 3gq8 h LEU 674 Cb 0.56 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.50 3gq8 h LEU 674 CO 0.04 0.38 -0.36 0.59 -0.62 0.00 0.00 178.44 178.48 3gq8 n ASN 675 N -4.91 1.25 -2.13 1.25 3.02 -1.22 -5.01 115.26 107.51 3gq8 n ASN 675 Ca -0.08 -1.13 -0.12 0.00 -0.03 0.00 0.00 54.58 53.22 3gq8 n ASN 675 Cb 0.22 0.59 0.04 0.00 -0.61 0.00 0.00 39.78 40.03 3gq8 n ASN 675 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gq8 n GLY 676 N 1.10 0.15 3.54 7.41 0.00 0.20 -5.04 105.19 112.54 3gq8 n GLY 676 Ca 0.05 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 3gq8 n GLY 676 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gq8 s ARG 677 N -5.53 2.29 -0.08 1.61 0.52 -1.13 -4.98 118.95 111.65 3gq8 s ARG 677 Ca 0.26 -0.88 0.03 0.00 -0.52 0.00 0.00 55.73 54.62 3gq8 s ARG 677 Cb -0.11 -2.34 0.00 0.00 0.52 0.00 0.00 34.95 33.02 3gq8 s ARG 677 CO 0.38 0.56 -0.20 0.42 0.02 0.00 0.00 175.30 176.48 3gq8 s ILE 678 N -1.00 1.71 -0.02 1.52 1.01 -1.26 -0.30 121.20 122.84 3gq8 s ILE 678 Ca 0.17 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 60.02 3gq8 s ILE 678 Cb -0.11 -1.49 0.00 0.00 0.01 0.00 0.00 42.46 40.87 3gq8 s ILE 678 CO 0.08 0.48 -0.07 -0.54 0.00 0.00 0.00 174.94 174.89 3gq8 s LYS 679 N 0.44 0.77 0.12 2.79 1.02 -0.51 -5.00 119.74 119.36 3gq8 s LYS 679 Ca -0.17 -0.23 0.11 0.00 0.02 0.00 0.00 55.97 55.70 3gq8 s LYS 679 Cb -0.17 -0.75 -0.04 0.00 -0.52 0.00 0.00 37.83 36.36 3gq8 s LYS 679 CO 0.07 0.08 -0.27 0.00 -0.92 0.00 0.00 175.35 174.31 3gq8 s ALA 680 N 0.23 2.34 0.14 5.17 0.00 -1.26 -0.92 121.76 127.46 3gq8 s ALA 680 Ca -0.03 -1.43 -0.12 0.00 0.00 0.00 0.00 51.96 50.38 3gq8 s ALA 680 Cb -0.08 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.64 3gq8 s ALA 680 CO 0.00 0.53 1.53 -0.09 0.00 0.00 0.00 175.76 177.73 3gq8 h ARG 681 N 4.02 0.91 0.00 0.00 2.43 -1.20 -3.45 114.38 117.09 3gq8 h ARG 681 Ca -0.50 -0.38 0.00 0.00 -0.81 0.00 0.00 59.98 58.29 3gq8 h ARG 681 Cb 1.17 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 3gq8 h ARG 681 CO 0.40 1.04 0.00 -3.47 -1.51 0.00 0.00 179.97 176.42 3gq8 n ASP 682 N -4.20 0.00 -4.77 -3.80 2.03 -1.26 -5.10 116.55 99.45 3gq8 n ASP 682 Ca -0.01 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.05 3gq8 n ASP 682 Cb 0.43 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.77 3gq8 n ASP 682 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3gq8 s THR 683 N 2.29 4.29 -0.13 5.18 -4.23 -1.26 -5.11 115.64 116.66 3gq8 s THR 683 Ca 0.00 -1.22 0.02 0.00 -1.18 0.00 0.00 61.69 59.30 3gq8 s THR 683 Cb 0.00 -3.21 0.01 0.00 1.34 0.00 0.00 72.50 70.65 3gq8 s THR 683 CO 0.00 -0.15 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.05 3gq8 s VAL 684 N -1.82 1.80 0.01 2.29 1.01 -1.26 -4.87 120.40 117.56 3gq8 s VAL 684 Ca 0.30 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.44 3gq8 s VAL 684 Cb -0.09 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 3gq8 s VAL 684 CO 0.22 0.50 0.05 0.42 0.00 0.00 0.00 175.10 176.29 3gq8 s THR 685 N 1.01 0.10 0.39 3.92 -4.23 -1.26 -5.16 115.64 110.40 3gq8 s THR 685 Ca -0.04 -0.79 0.05 0.00 -1.18 0.00 0.00 61.69 59.73 3gq8 s THR 685 Cb -0.15 -0.33 0.05 0.00 1.34 0.00 0.00 72.50 73.42 3gq8 s THR 685 CO -0.04 -0.43 0.45 0.61 -0.54 0.00 0.00 174.62 174.67 3gq8 n GLY 686 N 1.57 2.29 2.27 3.99 0.00 -1.26 -4.79 105.19 109.26 3gq8 n GLY 686 Ca -0.23 -2.22 -0.12 0.00 0.00 0.00 0.00 46.02 43.45 3gq8 n GLY 686 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gq8 n GLY 687 N 0.25 0.33 3.88 -0.02 0.00 -1.26 -5.01 105.19 103.37 3gq8 n GLY 687 Ca 0.06 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 3gq8 n GLY 687 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gq8 s ASN 688 N -2.59 6.54 0.22 1.61 0.01 -1.26 -5.11 114.94 114.36 3gq8 s ASN 688 Ca 0.00 0.96 0.06 0.00 -0.71 0.00 0.00 52.86 53.17 3gq8 s ASN 688 Cb 0.00 -2.25 -0.05 0.00 0.41 0.00 0.00 41.25 39.36 3gq8 s ASN 688 CO 0.00 -0.24 -0.09 0.28 -1.51 0.00 0.00 177.10 175.53 3gq8 s THR 689 N -2.12 1.55 -0.71 1.60 -1.32 -1.26 -5.08 115.64 108.29 3gq8 s THR 689 Ca 0.48 -2.14 0.02 0.00 -1.21 0.00 0.00 61.69 58.83 3gq8 s THR 689 Cb -0.11 -2.18 0.36 0.00 -1.51 0.00 0.00 72.50 69.07 3gq8 s THR 689 CO 0.27 -0.49 1.50 0.79 -2.21 0.00 0.00 174.62 174.48 3gq8 n TRP 690 N -0.42 3.29 -1.77 9.09 8.01 -1.26 -5.29 117.44 129.09 3gq8 n TRP 690 Ca -0.07 -2.95 0.00 0.00 -1.31 0.00 0.00 57.50 53.17 3gq8 n TRP 690 Cb 0.62 -0.72 0.00 0.00 -2.01 0.00 0.00 31.31 29.19 3gq8 n TRP 690 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55