#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dqs s PHE 70 N 0.00 3.56 0.30 2.13 0.40 -1.26 -5.04 117.98 118.07 3dqs s PHE 70 Ca 0.00 1.15 -0.29 0.00 -0.60 0.00 0.00 56.93 57.19 3dqs s PHE 70 Cb 0.00 -2.74 -0.10 0.00 0.51 0.00 0.00 43.02 40.70 3dqs s PHE 70 CO 0.00 0.11 1.27 -1.25 0.70 0.00 0.00 175.22 176.05 3dqs s PRO 71 N 0.74 4.41 -0.09 0.24 0.04 -1.25 -4.84 135.00 134.25 3dqs s PRO 71 Ca 0.34 2.11 -0.23 0.00 0.04 0.00 0.00 61.00 63.26 3dqs s PRO 71 Cb -0.17 -3.11 -0.03 0.00 0.04 0.00 0.00 34.50 31.22 3dqs s PRO 71 CO 0.16 -0.12 0.71 0.50 0.04 0.00 0.00 177.00 178.29 3dqs s ARG 72 N -1.43 4.39 -0.23 4.56 3.52 -1.26 -1.90 118.95 126.60 3dqs s ARG 72 Ca 0.49 0.87 -0.00 0.00 -0.13 0.00 0.00 55.73 56.96 3dqs s ARG 72 Cb -0.38 -3.48 0.03 0.00 -1.56 0.00 0.00 34.95 29.56 3dqs s ARG 72 CO 0.48 -0.02 -0.11 0.08 -0.81 0.00 0.00 175.30 174.92 3dqs s VAL 73 N 1.10 2.57 -0.03 7.11 1.01 0.19 -4.97 120.40 127.38 3dqs s VAL 73 Ca 0.37 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 61.31 3dqs s VAL 73 Cb -0.17 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 3dqs s VAL 73 CO 0.17 0.28 -0.06 -0.75 0.00 0.00 0.00 175.10 174.74 3dqs s LYS 74 N 1.29 2.67 -0.30 2.72 2.20 -1.26 -0.83 119.74 126.22 3dqs s LYS 74 Ca 0.01 -0.63 -0.09 0.00 -0.36 0.00 0.00 55.97 54.89 3dqs s LYS 74 Cb -0.16 -2.56 -0.01 0.00 -1.51 0.00 0.00 37.83 33.59 3dqs s LYS 74 CO -0.07 0.63 0.15 1.21 -0.36 0.00 0.00 175.35 176.91 3dqs s ASN 75 N -1.19 5.53 0.16 1.43 3.84 -0.11 -1.76 114.94 122.85 3dqs s ASN 75 Ca 0.15 -0.48 0.25 0.00 0.21 0.00 0.00 52.86 52.99 3dqs s ASN 75 Cb -0.11 -2.00 0.92 0.00 -0.55 0.00 0.00 41.25 39.51 3dqs s ASN 75 CO 0.05 -0.18 1.76 0.79 -2.79 0.00 0.00 177.10 176.73 3dqs n TRP 76 N 4.98 0.63 0.07 0.43 7.02 0.28 -0.22 117.44 130.62 3dqs n TRP 76 Ca -0.14 0.20 -0.22 0.00 -1.02 0.00 0.00 57.50 56.32 3dqs n TRP 76 Cb 0.49 -0.83 -0.15 0.00 -2.42 0.00 0.00 31.31 28.40 3dqs n TRP 76 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 3dqs h GLU 77 N 0.00 0.37 0.00 -0.99 4.81 -1.95 -3.38 114.58 113.44 3dqs h GLU 77 Ca 0.00 -0.63 -0.12 0.00 -0.13 0.00 0.00 59.36 58.48 3dqs h GLU 77 Cb 0.54 0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 3dqs h GLU 77 CO 0.00 1.30 -1.87 1.28 -0.73 0.00 0.00 179.01 178.99 3dqs n LEU 78 N -3.90 0.26 0.00 1.64 4.77 -1.22 -4.99 117.00 113.56 3dqs n LEU 78 Ca -0.19 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 3dqs n LEU 78 Cb 0.95 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 42.17 3dqs n LEU 78 CO 0.51 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 3dqs n GLY 79 N 1.39 0.99 3.81 -0.72 0.00 0.69 -5.04 105.19 106.30 3dqs n GLY 79 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 3dqs n GLY 79 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dqs s SER 80 N -3.03 6.24 0.03 1.61 1.04 -1.21 -4.82 113.70 113.56 3dqs s SER 80 Ca 0.00 1.83 0.04 0.00 0.48 0.00 0.00 55.95 58.30 3dqs s SER 80 Cb 0.00 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.56 3dqs s SER 80 CO 0.00 -0.85 -0.11 -0.63 0.98 0.00 0.00 173.24 172.63 3dqs s ILE 81 N -2.23 0.84 0.16 -1.02 1.01 -1.26 -0.93 121.20 117.76 3dqs s ILE 81 Ca 0.65 -0.90 -0.01 0.00 0.00 0.00 0.00 60.65 60.39 3dqs s ILE 81 Cb -0.15 -0.79 -0.04 0.00 0.01 0.00 0.00 42.46 41.49 3dqs s ILE 81 CO 0.26 -0.09 0.08 0.42 0.00 0.00 0.00 174.94 175.62 3dqs s THR 82 N -0.88 0.09 -0.11 2.92 -4.23 -0.01 -4.97 115.64 108.44 3dqs s THR 82 Ca -0.02 -1.95 0.03 0.00 -1.18 0.00 0.00 61.69 58.57 3dqs s THR 82 Cb -0.07 -2.22 0.01 0.00 1.34 0.00 0.00 72.50 71.55 3dqs s THR 82 CO 0.01 -0.29 -0.20 -0.31 -0.54 0.00 0.00 174.62 173.29 3dqs s TYR 83 N -4.07 2.30 -0.37 3.99 1.51 -1.26 0.56 117.35 120.01 3dqs s TYR 83 Ca 0.30 -1.05 -0.23 0.00 -1.01 0.00 0.00 57.07 55.08 3dqs s TYR 83 Cb 0.07 -1.59 0.01 0.00 -0.11 0.00 0.00 41.96 40.34 3dqs s TYR 83 CO 0.06 -0.48 0.78 0.34 -1.11 0.00 0.00 175.55 175.14 3dqs s ASP 84 N 0.71 6.54 -0.02 2.29 -1.08 -0.80 -4.75 116.67 119.56 3dqs s ASP 84 Ca -0.11 0.32 0.15 0.00 -0.52 0.00 0.00 52.55 52.39 3dqs s ASP 84 Cb -0.16 -2.40 -0.22 0.00 -1.46 0.00 0.00 42.92 38.68 3dqs s ASP 84 CO 0.02 -0.75 0.36 0.35 0.52 0.00 0.00 175.17 175.68 3dqs n THR 85 N 5.82 0.00 -0.07 1.71 -2.24 -0.46 -3.90 114.28 115.15 3dqs n THR 85 Ca 0.03 -0.32 0.02 0.00 -2.27 0.00 0.00 64.05 61.51 3dqs n THR 85 Cb 0.48 0.27 0.34 0.00 -2.10 0.00 0.00 70.33 69.32 3dqs n THR 85 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3dqs h LEU 86 N 0.00 0.60 -2.16 3.22 5.85 -1.70 -2.39 115.31 118.72 3dqs h LEU 86 Ca 0.00 -0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.74 3dqs h LEU 86 Cb 0.64 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3dqs h LEU 86 CO 0.00 0.48 0.28 0.00 -0.34 0.00 0.00 178.44 178.87 3dqs h ALA 88 N 1.62 1.00 -0.01 0.00 0.00 -1.74 -0.72 119.26 119.42 3dqs h ALA 88 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3dqs h ALA 88 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3dqs h ALA 88 CO -0.00 0.00 -0.00 1.04 0.00 0.00 0.00 179.25 180.28 3dqs n GLN 89 N -2.60 1.41 -2.43 0.00 6.02 0.14 -4.88 117.38 115.04 3dqs n GLN 89 Ca -0.01 -0.61 -0.41 0.00 -0.01 0.00 0.00 57.00 55.96 3dqs n GLN 89 Cb 0.12 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.85 3dqs n GLN 89 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3dqs s SER 90 N -2.01 7.14 0.00 1.08 0.15 -0.28 -4.90 113.70 114.87 3dqs s SER 90 Ca 0.41 2.13 0.03 0.00 0.70 0.00 0.00 55.95 59.23 3dqs s SER 90 Cb 0.21 -2.60 0.02 0.00 -1.71 0.00 0.00 66.02 61.94 3dqs s SER 90 CO 0.35 -0.35 0.52 0.00 1.20 0.00 0.00 173.24 174.96 3dqs n GLN 91 N 2.85 0.69 -5.24 5.44 1.13 -1.25 -5.00 117.38 115.99 3dqs n GLN 91 Ca 0.05 -0.57 -0.31 0.00 -1.94 0.00 0.00 57.00 54.23 3dqs n GLN 91 Cb 0.46 -0.99 -0.16 0.00 0.11 0.00 0.00 30.24 29.66 3dqs n GLN 91 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3dqs s GLN 92 N -0.47 2.37 0.24 -1.09 2.00 -1.26 -5.12 119.66 116.33 3dqs s GLN 92 Ca 0.03 -0.89 -0.29 0.00 -2.00 0.00 0.00 55.36 52.22 3dqs s GLN 92 Cb 0.03 -2.08 -0.09 0.00 0.80 0.00 0.00 33.01 31.67 3dqs s GLN 92 CO 0.06 0.42 0.92 -0.51 -0.50 0.00 0.00 175.29 175.68 3dqs s ASP 93 N -0.26 7.59 0.37 6.67 -0.00 -1.26 -4.33 116.67 125.44 3dqs s ASP 93 Ca -0.00 1.91 0.00 0.00 -0.00 0.00 0.00 52.55 54.45 3dqs s ASP 93 Cb -0.13 -2.60 0.00 0.00 -0.00 0.00 0.00 42.92 40.20 3dqs s ASP 93 CO 0.02 0.14 0.00 0.61 -0.00 0.00 0.00 175.17 175.94 3dqs n GLY 94 N 1.38 0.64 0.08 0.21 0.00 -1.26 -4.99 105.19 101.25 3dqs n GLY 94 Ca -0.02 -1.92 0.12 0.00 0.00 0.00 0.00 46.02 44.20 3dqs n GLY 94 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dqs n PRO 95 N -0.87 0.26 -2.12 1.61 -0.04 -1.26 -4.96 135.00 127.63 3dqs n PRO 95 Ca 0.00 0.13 -0.29 0.00 -0.04 0.00 0.00 63.50 63.30 3dqs n PRO 95 Cb 0.00 -1.72 0.03 0.00 -0.04 0.00 0.00 33.50 31.77 3dqs n PRO 95 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dqs s THR 97 N -3.15 0.04 0.52 0.00 -4.23 -0.96 -5.01 115.64 102.85 3dqs s THR 97 Ca 0.55 -1.41 0.32 0.00 -1.18 0.00 0.00 61.69 59.97 3dqs s THR 97 Cb -0.11 -1.99 0.35 0.00 1.34 0.00 0.00 72.50 72.10 3dqs s THR 97 CO 0.49 -0.17 2.20 -0.65 -0.54 0.00 0.00 174.62 175.95 3dqs h PRO 98 N 2.45 0.00 0.08 3.99 0.11 -2.04 -2.80 132.00 133.79 3dqs h PRO 98 Ca -0.30 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.53 3dqs h PRO 98 Cb 1.24 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.37 3dqs h PRO 98 CO 0.44 0.04 -1.13 -0.09 -0.21 0.00 0.00 178.00 177.06 3dqs h ARG 99 N 0.00 0.62 -2.58 1.05 2.43 -2.02 -3.47 114.38 110.40 3dqs h ARG 99 Ca -0.00 -0.78 -0.10 0.00 -0.81 0.00 0.00 59.98 58.29 3dqs h ARG 99 Cb 0.15 0.25 -0.24 0.00 -0.42 0.00 0.00 29.97 29.71 3dqs h ARG 99 CO 0.01 1.34 -0.16 -0.98 -1.51 0.00 0.00 179.97 178.66 3dqs s ARG 100 N -3.06 0.55 -0.14 0.20 3.03 -1.05 -5.14 118.95 113.33 3dqs s ARG 100 Ca -0.10 0.68 -0.19 0.00 2.03 0.00 0.00 55.73 58.15 3dqs s ARG 100 Cb 0.05 0.25 -0.04 0.00 -1.03 0.00 0.00 34.95 34.19 3dqs s ARG 100 CO 0.92 -0.07 0.51 0.00 -1.13 0.00 0.00 175.30 175.53 3dqs n LEU 102 N 4.09 3.40 0.30 0.00 4.77 -1.26 -4.80 117.00 123.50 3dqs n LEU 102 Ca -0.06 -3.98 0.20 0.00 -0.03 0.00 0.00 56.01 52.14 3dqs n LEU 102 Cb 0.51 -0.54 0.98 0.00 -2.33 0.00 0.00 43.42 42.04 3dqs n LEU 102 CO 0.43 1.46 1.09 1.23 -1.33 0.00 0.00 177.39 180.27 3dqs h GLY 103 N 1.15 0.00 1.34 -0.72 0.00 -1.93 -2.56 103.07 100.34 3dqs h GLY 103 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 3dqs h GLY 103 CO 0.21 0.00 -0.14 -1.14 0.00 0.00 0.00 176.54 175.47 3dqs n SER 104 N -3.01 0.28 -4.75 0.19 3.41 -1.26 -4.87 113.62 103.61 3dqs n SER 104 Ca -0.01 -0.13 -0.41 0.00 -0.26 0.00 0.00 58.87 58.06 3dqs n SER 104 Cb 0.16 -0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 63.91 3dqs n SER 104 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3dqs s LEU 105 N -2.76 4.46 0.01 1.04 1.02 -0.97 -4.96 118.68 116.53 3dqs s LEU 105 Ca 0.21 2.35 -0.22 0.00 0.02 0.00 0.00 54.13 56.48 3dqs s LEU 105 Cb 0.19 -3.62 -0.17 0.00 0.02 0.00 0.00 46.19 42.61 3dqs s LEU 105 CO 0.54 -0.38 1.28 0.58 0.02 0.00 0.00 176.35 178.38 3dqs h VAL 106 N 3.50 1.39 -2.86 -1.59 2.07 -1.90 -3.46 116.25 113.40 3dqs h VAL 106 Ca -0.46 -1.37 -0.64 0.00 0.82 0.00 0.00 66.70 65.05 3dqs h VAL 106 Cb 1.22 2.08 -0.17 0.00 -1.52 0.00 0.00 31.29 32.90 3dqs h VAL 106 CO 0.72 0.39 -0.79 -0.76 0.02 0.00 0.00 177.57 177.15 3dqs s LEU 107 N -9.03 2.55 0.44 2.57 1.43 -1.26 -5.12 118.68 110.25 3dqs s LEU 107 Ca -0.15 -0.89 -0.22 0.00 -1.03 0.00 0.00 54.13 51.85 3dqs s LEU 107 Cb 0.04 -1.21 -0.09 0.00 0.03 0.00 0.00 46.19 44.96 3dqs s LEU 107 CO 0.73 0.09 1.03 -2.16 0.23 0.00 0.00 176.35 176.28 3dqs s PRO 108 N -2.96 4.02 0.26 1.29 0.04 -1.26 -5.13 135.00 131.25 3dqs s PRO 108 Ca 0.24 1.40 -0.03 0.00 0.04 0.00 0.00 61.00 62.65 3dqs s PRO 108 Cb -0.07 -2.31 0.41 0.00 0.04 0.00 0.00 34.50 32.57 3dqs s PRO 108 CO 0.12 -0.25 1.84 -0.09 0.04 0.00 0.00 177.00 178.66 3dqs h ARG 109 N 2.03 0.93 0.08 4.56 9.65 -2.00 -3.54 114.38 126.10 3dqs h ARG 109 Ca -0.49 -0.06 -0.28 0.00 -1.10 0.00 0.00 59.98 58.06 3dqs h ARG 109 Cb 1.21 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 29.57 3dqs h ARG 109 CO 0.61 0.62 -1.39 0.00 2.80 0.00 0.00 179.97 182.60 3dqs h ALA 122 N 1.46 0.31 -0.16 2.80 0.00 -1.99 -3.56 119.26 118.12 3dqs h ALA 122 Ca 0.42 -1.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.11 3dqs h ALA 122 Cb 0.29 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3dqs h ALA 122 CO -0.21 1.18 -0.55 0.93 0.00 0.00 0.00 179.25 180.59 3dqs h GLU 123 N 0.05 0.49 -0.06 0.00 5.08 -2.00 -1.58 114.58 116.56 3dqs h GLU 123 Ca -0.18 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 57.82 3dqs h GLU 123 Cb 1.96 0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.25 3dqs h GLU 123 CO 0.15 0.91 -0.17 0.37 -1.00 0.00 0.00 179.01 179.28 3dqs h GLN 124 N 0.37 0.22 -0.32 2.33 4.15 -2.05 -2.33 115.11 117.48 3dqs h GLN 124 Ca 0.01 -0.15 0.07 0.00 0.77 0.00 0.00 58.65 59.34 3dqs h GLN 124 Cb 1.08 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 28.73 3dqs h GLN 124 CO 0.10 0.77 -0.13 1.25 -1.93 0.00 0.00 178.83 178.89 3dqs h LEU 125 N -0.30 -0.44 -1.44 -2.39 5.85 -1.95 -1.02 115.31 113.63 3dqs h LEU 125 Ca -0.00 0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.89 3dqs h LEU 125 Cb 0.78 0.25 -0.04 0.00 0.37 0.00 0.00 40.66 42.02 3dqs h LEU 125 CO 0.04 -0.16 0.44 0.25 -0.34 0.00 0.00 178.44 178.67 3dqs h LEU 126 N -0.07 0.60 -0.33 2.25 5.85 -1.29 0.18 115.31 122.51 3dqs h LEU 126 Ca 0.16 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.69 3dqs h LEU 126 Cb 0.31 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.22 3dqs h LEU 126 CO -0.37 0.39 -0.74 0.77 -0.34 0.00 0.00 178.44 178.16 3dqs h SER 127 N 0.69 0.65 -0.47 1.25 4.64 -0.71 -1.02 113.55 118.58 3dqs h SER 127 Ca 0.29 -0.42 -0.12 0.00 -0.47 0.00 0.00 61.79 61.06 3dqs h SER 127 Cb 0.26 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 3dqs h SER 127 CO -0.09 1.18 -0.19 1.56 -0.87 0.00 0.00 176.83 178.42 3dqs h GLN 128 N 0.38 0.97 -0.20 4.77 4.20 -0.33 -1.53 115.11 123.37 3dqs h GLN 128 Ca -0.04 -0.40 -0.02 0.00 0.06 0.00 0.00 58.65 58.26 3dqs h GLN 128 Cb 1.33 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.06 3dqs h GLN 128 CO 0.14 1.07 0.04 0.00 -0.67 0.00 0.00 178.83 179.40 3dqs h ALA 129 N 0.93 0.27 -0.12 3.87 0.00 -0.59 -1.05 119.26 122.57 3dqs h ALA 129 Ca 0.12 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3dqs h ALA 129 Cb 0.75 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3dqs h ALA 129 CO 0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 179.25 179.23 3dqs h ARG 130 N 0.14 0.02 -0.64 0.00 3.08 -1.11 0.21 114.38 116.08 3dqs h ARG 130 Ca 0.06 -0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.18 3dqs h ARG 130 Cb 0.30 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.29 3dqs h ARG 130 CO 0.00 0.01 0.33 0.22 -1.07 0.00 0.00 179.97 179.47 3dqs h ASP 131 N 0.02 0.47 -0.23 7.04 3.58 -1.20 0.30 116.42 126.40 3dqs h ASP 131 Ca 0.06 0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 3dqs h ASP 131 Cb 0.07 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 3dqs h ASP 131 CO -0.11 0.30 0.06 0.15 -2.88 0.00 0.00 179.24 176.77 3dqs h PHE 132 N 0.61 0.38 -0.72 0.28 3.57 -0.53 0.75 116.94 121.29 3dqs h PHE 132 Ca 0.29 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.75 3dqs h PHE 132 Cb 0.22 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 3dqs h PHE 132 CO -0.10 0.45 0.43 0.82 -2.23 0.00 0.00 178.31 177.69 3dqs h ILE 133 N 0.20 1.20 -0.29 1.41 1.08 -0.16 0.85 117.51 121.80 3dqs h ILE 133 Ca 0.07 -0.44 -0.01 0.00 -0.39 0.00 0.00 64.86 64.10 3dqs h ILE 133 Cb 0.26 0.19 -0.01 0.00 -3.07 0.00 0.00 36.82 34.18 3dqs h ILE 133 CO -0.00 0.21 0.15 0.78 -0.69 0.00 0.00 178.15 178.60 3dqs h ASN 134 N 0.99 0.36 -0.38 1.72 2.35 0.00 -1.26 115.58 119.35 3dqs h ASN 134 Ca 0.26 -0.09 0.05 0.00 -0.55 0.00 0.00 56.30 55.97 3dqs h ASN 134 Cb -0.04 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.19 3dqs h ASN 134 CO -0.05 0.35 0.13 1.56 -1.65 0.00 0.00 177.43 177.76 3dqs h GLN 135 N 0.34 0.27 0.11 0.81 4.20 0.03 -1.78 115.11 119.09 3dqs h GLN 135 Ca 0.10 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.80 3dqs h GLN 135 Cb 0.07 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 3dqs h GLN 135 CO -0.02 0.18 -0.12 -0.92 -0.67 0.00 0.00 178.83 177.29 3dqs h TYR 136 N 0.28 -0.30 -0.05 2.96 3.20 -0.41 -1.33 116.97 121.32 3dqs h TYR 136 Ca 0.18 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.99 3dqs h TYR 136 Cb 0.17 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 3dqs h TYR 136 CO -0.15 -0.18 -0.23 1.88 -1.64 0.00 0.00 178.16 177.83 3dqs h TYR 137 N -0.25 0.08 -0.28 -3.82 -1.99 -1.10 -1.35 116.97 108.26 3dqs h TYR 137 Ca 0.01 -0.01 -0.11 0.00 2.00 0.00 0.00 58.73 60.61 3dqs h TYR 137 Cb 0.25 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 38.94 3dqs h TYR 137 CO -0.13 0.31 -0.30 0.77 -0.00 0.00 0.00 178.16 178.82 3dqs h SER 138 N 0.07 0.60 -0.27 3.88 0.02 -1.07 0.41 113.55 117.20 3dqs h SER 138 Ca 0.01 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 60.72 3dqs h SER 138 Cb 0.46 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 3dqs h SER 138 CO 0.03 0.87 0.13 0.77 -1.14 0.00 0.00 176.83 177.49 3dqs h SER 139 N 0.50 0.40 -0.61 3.07 4.64 -0.10 -1.33 113.55 120.13 3dqs h SER 139 Ca 0.06 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3dqs h SER 139 Cb 0.77 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3dqs h SER 139 CO 0.06 0.37 0.00 2.30 -0.87 0.00 0.00 176.83 178.69 3dqs n ILE 140 N -4.41 2.00 -3.82 0.95 -5.35 -1.01 -4.94 119.36 102.78 3dqs n ILE 140 Ca 0.02 -1.27 -0.29 0.00 -0.27 0.00 0.00 62.75 60.94 3dqs n ILE 140 Cb 0.13 0.05 0.03 0.00 -1.74 0.00 0.00 39.64 38.12 3dqs n ILE 140 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3dqs n LYS 141 N 0.94 -5.58 -0.42 6.28 5.02 -0.50 -4.86 118.16 119.03 3dqs n LYS 141 Ca 0.26 0.62 0.06 0.00 -2.02 0.00 0.00 58.31 57.23 3dqs n LYS 141 Cb 0.93 -5.52 0.12 0.00 -0.02 0.00 0.00 35.03 30.54 3dqs n LYS 141 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3dqs n ARG 142 N -4.63 0.97 -1.74 1.97 1.74 0.09 -5.02 116.66 110.04 3dqs n ARG 142 Ca 0.03 -2.38 -0.42 0.00 -0.77 0.00 0.00 57.85 54.31 3dqs n ARG 142 Cb 0.53 -1.18 -0.01 0.00 -1.02 0.00 0.00 32.46 30.78 3dqs n ARG 142 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3dqs n SER 143 N -0.89 3.57 0.00 0.55 2.88 -1.09 -1.57 113.62 117.07 3dqs n SER 143 Ca 0.13 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.83 3dqs n SER 143 Cb 0.71 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 3dqs n SER 143 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dqs n GLY 144 N 1.66 3.04 3.07 0.46 0.00 -1.26 -5.01 105.19 107.15 3dqs n GLY 144 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 3dqs n GLY 144 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dqs n SER 145 N 0.00 -3.95 -0.08 1.61 3.41 -0.61 -4.73 113.62 109.27 3dqs n SER 145 Ca 0.00 -0.77 -0.15 0.00 -0.26 0.00 0.00 58.87 57.69 3dqs n SER 145 Cb 0.00 -0.93 -0.05 0.00 -0.26 0.00 0.00 64.21 62.98 3dqs n SER 145 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3dqs h GLN 146 N 0.00 0.81 -0.79 4.33 4.15 -1.95 -2.75 115.11 118.91 3dqs h GLN 146 Ca -0.35 -0.50 -0.01 0.00 0.77 0.00 0.00 58.65 58.56 3dqs h GLN 146 Cb 1.17 0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.88 3dqs h GLN 146 CO 0.21 1.14 0.46 0.00 -1.93 0.00 0.00 178.83 178.71 3dqs h ALA 147 N 0.67 1.34 -0.43 3.38 0.00 -1.91 -0.63 119.26 121.68 3dqs h ALA 147 Ca 0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3dqs h ALA 147 Cb 1.08 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3dqs h ALA 147 CO 0.11 0.56 0.17 1.25 0.00 0.00 0.00 179.25 181.34 3dqs h HIS 148 N 1.09 0.65 -0.36 0.00 -0.00 -1.77 -1.15 115.15 113.61 3dqs h HIS 148 Ca 0.28 -0.05 -0.09 0.00 -0.00 0.00 0.00 60.37 60.51 3dqs h HIS 148 Cb -0.03 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.18 3dqs h HIS 148 CO 0.00 0.57 -0.15 0.93 -0.00 0.00 0.00 177.93 179.29 3dqs h GLU 149 N 0.55 0.73 -0.58 5.26 5.08 -1.15 -2.11 114.58 122.36 3dqs h GLU 149 Ca 0.14 -0.31 -0.06 0.00 -1.00 0.00 0.00 59.36 58.14 3dqs h GLU 149 Cb 0.20 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3dqs h GLU 149 CO -0.01 0.91 0.13 0.93 -1.00 0.00 0.00 179.01 179.97 3dqs h GLU 150 N 0.52 0.93 -0.65 2.33 5.08 -1.06 -1.99 114.58 119.74 3dqs h GLU 150 Ca 0.08 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 3dqs h GLU 150 Cb 0.68 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 3dqs h GLU 150 CO 0.05 0.86 0.38 -0.09 -1.00 0.00 0.00 179.01 179.21 3dqs h ARG 151 N 0.83 0.89 -0.80 2.33 9.65 -1.15 0.26 114.38 126.39 3dqs h ARG 151 Ca 0.18 -0.09 0.01 0.00 -1.10 0.00 0.00 59.98 58.98 3dqs h ARG 151 Cb 0.36 -0.18 -0.04 0.00 -1.39 0.00 0.00 29.97 28.72 3dqs h ARG 151 CO 0.00 0.65 0.52 -0.07 2.80 0.00 0.00 179.97 183.88 3dqs h LEU 152 N 0.88 0.92 -0.31 3.80 3.38 -1.09 -0.91 115.31 121.98 3dqs h LEU 152 Ca 0.23 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 3dqs h LEU 152 Cb 0.00 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3dqs h LEU 152 CO -0.04 0.67 0.01 1.56 0.09 0.00 0.00 178.44 180.73 3dqs h GLN 153 N 1.09 0.54 -0.16 1.13 4.20 -0.60 -1.60 115.11 119.71 3dqs h GLN 153 Ca 0.29 -0.17 0.05 0.00 0.06 0.00 0.00 58.65 58.88 3dqs h GLN 153 Cb -0.12 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.56 3dqs h GLN 153 CO -0.06 0.68 -0.16 0.93 -0.67 0.00 0.00 178.83 179.54 3dqs h GLU 154 N 0.35 -0.18 -0.36 1.46 5.08 -0.25 0.28 114.58 120.95 3dqs h GLU 154 Ca 0.09 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.48 3dqs h GLU 154 Cb 0.42 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 3dqs h GLU 154 CO 0.01 -0.12 0.21 0.28 -1.00 0.00 0.00 179.01 178.39 3dqs h VAL 155 N -0.18 1.03 -0.69 3.13 2.07 -1.10 -0.87 116.25 119.63 3dqs h VAL 155 Ca 0.11 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 3dqs h VAL 155 Cb 0.34 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3dqs h VAL 155 CO -0.27 0.08 0.29 -0.08 0.02 0.00 0.00 177.57 177.60 3dqs h GLU 156 N 0.42 1.03 -0.71 1.57 4.81 -0.75 -1.17 114.58 119.77 3dqs h GLU 156 Ca 0.14 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 3dqs h GLU 156 Cb 0.01 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 3dqs h GLU 156 CO -0.07 0.84 0.36 0.00 -0.73 0.00 0.00 179.01 179.41 3dqs h ALA 157 N 1.13 0.92 -0.32 2.92 0.00 -0.06 -1.23 119.26 122.62 3dqs h ALA 157 Ca 0.23 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 3dqs h ALA 157 Cb 0.19 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3dqs h ALA 157 CO -0.02 0.46 -0.26 1.49 0.00 0.00 0.00 179.25 180.92 3dqs h GLU 158 N 0.99 0.74 -0.35 0.00 4.81 -0.89 -2.57 114.58 117.30 3dqs h GLU 158 Ca 0.25 -0.37 -0.04 0.00 -0.13 0.00 0.00 59.36 59.06 3dqs h GLU 158 Cb 0.09 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 3dqs h GLU 158 CO -0.03 0.99 0.04 0.28 -0.73 0.00 0.00 179.01 179.56 3dqs h VAL 159 N 0.51 1.24 -0.79 0.32 2.07 -0.95 0.79 116.25 119.44 3dqs h VAL 159 Ca 0.06 -0.87 0.04 0.00 0.82 0.00 0.00 66.70 66.75 3dqs h VAL 159 Cb 0.83 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 3dqs h VAL 159 CO 0.07 0.29 0.52 0.00 0.02 0.00 0.00 177.57 178.47 3dqs h ALA 160 N 0.89 1.53 0.16 1.67 0.00 -1.23 0.42 119.26 122.71 3dqs h ALA 160 Ca 0.10 -0.04 -0.35 0.00 0.00 0.00 0.00 54.91 54.62 3dqs h ALA 160 Cb 0.38 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3dqs h ALA 160 CO 0.01 0.38 -1.84 0.77 0.00 0.00 0.00 179.25 178.57 3dqs h SER 161 N 0.96 0.52 0.00 0.00 0.02 -1.32 -3.42 113.55 110.32 3dqs h SER 161 Ca 0.32 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 3dqs h SER 161 Cb 0.06 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.43 3dqs h SER 161 CO -0.09 1.78 -0.92 0.35 -1.14 0.00 0.00 176.83 176.81 3dqs n THR 162 N -3.53 0.00 -0.79 -2.27 -2.24 0.26 -5.01 114.28 100.70 3dqs n THR 162 Ca -0.27 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 3dqs n THR 162 Cb 1.06 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.95 3dqs n THR 162 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dqs n GLY 163 N 1.56 0.64 2.00 3.38 0.00 0.15 -4.98 105.19 107.94 3dqs n GLY 163 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 3dqs n GLY 163 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3dqs n THR 164 N -2.70 0.00 -3.73 2.61 5.66 -1.26 -4.96 114.28 109.90 3dqs n THR 164 Ca 0.00 -0.42 -0.09 0.00 -3.05 0.00 0.00 64.05 60.50 3dqs n THR 164 Cb 0.00 0.47 0.02 0.00 -1.55 0.00 0.00 70.33 69.27 3dqs n THR 164 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3dqs n TYR 165 N -0.33 -2.05 -4.17 1.09 0.18 -1.26 -2.59 117.16 108.03 3dqs n TYR 165 Ca -0.03 -1.68 -0.18 0.00 1.88 0.00 0.00 57.90 57.90 3dqs n TYR 165 Cb 0.31 0.75 -0.12 0.00 -0.38 0.00 0.00 39.34 39.90 3dqs n TYR 165 CO 0.00 0.00 0.00 -1.01 -2.08 0.00 0.00 176.86 173.77 3dqs s HIS 166 N -3.13 1.13 0.21 -3.48 3.76 -1.26 -5.05 115.29 107.47 3dqs s HIS 166 Ca 0.16 -0.45 -0.11 0.00 -0.15 0.00 0.00 55.06 54.51 3dqs s HIS 166 Cb -0.04 -0.64 -0.07 0.00 1.11 0.00 0.00 32.58 32.94 3dqs s HIS 166 CO 0.12 0.03 0.55 -0.51 -0.85 0.00 0.00 174.74 174.08 3dqs s LEU 167 N -1.66 4.20 0.52 0.89 1.43 -1.26 -5.03 118.68 117.77 3dqs s LEU 167 Ca -0.03 0.95 -0.13 0.00 -1.03 0.00 0.00 54.13 53.90 3dqs s LEU 167 Cb -0.10 -3.59 -0.06 0.00 0.03 0.00 0.00 46.19 42.47 3dqs s LEU 167 CO 0.02 -0.04 0.93 -0.13 0.23 0.00 0.00 176.35 177.37 3dqs s ARG 168 N -2.63 3.78 0.23 1.70 1.81 -1.26 -4.88 118.95 117.70 3dqs s ARG 168 Ca 0.45 0.72 -0.06 0.00 -1.72 0.00 0.00 55.73 55.13 3dqs s ARG 168 Cb -0.12 -2.20 0.34 0.00 -0.45 0.00 0.00 34.95 32.52 3dqs s ARG 168 CO 0.21 -0.30 1.81 1.49 -0.68 0.00 0.00 175.30 177.83 3dqs h GLU 169 N 0.57 0.76 -0.59 3.54 4.81 -1.99 -0.95 114.58 120.73 3dqs h GLU 169 Ca -0.46 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 58.75 3dqs h GLU 169 Cb 1.19 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 30.36 3dqs h GLU 169 CO 0.62 0.50 0.35 0.66 -0.73 0.00 0.00 179.01 180.42 3dqs h SER 170 N 0.78 0.56 -0.43 1.04 4.64 -2.00 -0.61 113.55 117.54 3dqs h SER 170 Ca 0.36 0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.61 3dqs h SER 170 Cb 0.28 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 3dqs h SER 170 CO -0.22 0.39 -0.02 -0.33 -0.87 0.00 0.00 176.83 175.78 3dqs h GLU 171 N 0.69 0.85 -0.66 4.77 5.08 -1.76 -1.67 114.58 121.88 3dqs h GLU 171 Ca 0.24 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3dqs h GLU 171 Cb 0.05 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 3dqs h GLU 171 CO -0.11 0.86 0.27 1.25 -1.00 0.00 0.00 179.01 180.28 3dqs h LEU 172 N 0.78 0.90 -0.46 1.33 5.85 -0.54 0.19 115.31 123.35 3dqs h LEU 172 Ca 0.15 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 3dqs h LEU 172 Cb 0.50 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 3dqs h LEU 172 CO 0.03 0.82 0.10 0.58 -0.34 0.00 0.00 178.44 179.63 3dqs h VAL 173 N 0.92 1.24 -0.76 1.05 2.07 -0.79 -0.23 116.25 119.75 3dqs h VAL 173 Ca 0.22 -0.84 -0.05 0.00 0.82 0.00 0.00 66.70 66.85 3dqs h VAL 173 Cb 0.19 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 3dqs h VAL 173 CO -0.02 0.30 0.28 0.15 0.02 0.00 0.00 177.57 178.30 3dqs h PHE 174 N 0.62 1.16 -0.41 1.57 3.57 -1.04 -2.53 116.94 119.88 3dqs h PHE 174 Ca 0.14 -0.09 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 3dqs h PHE 174 Cb 0.34 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 3dqs h PHE 174 CO 0.02 0.89 0.12 0.78 -2.23 0.00 0.00 178.31 177.89 3dqs h GLY 175 N 1.13 0.70 0.96 2.40 0.00 -0.17 -1.50 103.07 106.59 3dqs h GLY 175 Ca 0.25 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 3dqs h GLY 175 CO -0.02 0.40 0.16 0.00 0.00 0.00 0.00 176.54 177.09 3dqs h ALA 176 N 0.97 0.61 -0.91 3.60 0.00 -0.97 -1.48 119.26 121.09 3dqs h ALA 176 Ca 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3dqs h ALA 176 Cb 0.29 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3dqs h ALA 176 CO -0.00 0.25 0.50 0.87 0.00 0.00 0.00 179.25 180.87 3dqs h LYS 177 N 0.62 1.26 -0.20 0.00 1.57 -1.32 -2.57 116.57 115.93 3dqs h LYS 177 Ca 0.15 -0.14 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 3dqs h LYS 177 Cb 0.24 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3dqs h LYS 177 CO -0.01 0.91 -0.30 1.96 -0.57 0.00 0.00 179.45 181.44 3dqs h GLN 178 N 1.26 0.41 -0.55 3.15 1.08 -0.96 -1.19 115.11 118.31 3dqs h GLN 178 Ca 0.32 -0.16 -0.07 0.00 -1.45 0.00 0.00 58.65 57.28 3dqs h GLN 178 Cb 0.01 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.40 3dqs h GLN 178 CO -0.05 0.67 0.06 0.00 -0.95 0.00 0.00 178.83 178.56 3dqs h ALA 179 N 1.33 1.06 -0.03 3.87 0.00 -0.89 0.13 119.26 124.73 3dqs h ALA 179 Ca 0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3dqs h ALA 179 Cb 0.71 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3dqs h ALA 179 CO 0.05 0.60 -0.02 2.35 0.00 0.00 0.00 179.25 182.24 3dqs h TRP 180 N 0.85 0.07 -0.88 0.00 7.01 -1.26 -2.36 115.95 119.39 3dqs h TRP 180 Ca 0.17 -0.02 0.14 0.00 2.11 0.00 0.00 58.89 61.29 3dqs h TRP 180 Cb 0.42 -0.02 -0.07 0.00 -2.10 0.00 0.00 29.16 27.40 3dqs h TRP 180 CO 0.03 0.48 0.57 -0.09 -2.79 0.00 0.00 178.44 176.63 3dqs h ARG 181 N -0.36 0.65 -0.00 2.65 2.43 -0.93 -1.42 114.38 117.40 3dqs h ARG 181 Ca 0.01 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3dqs h ARG 181 Cb 0.46 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3dqs h ARG 181 CO 0.00 0.43 -0.18 0.09 -1.51 0.00 0.00 179.97 178.81 3dqs n ASN 182 N -4.55 0.51 -4.57 -3.80 3.02 0.44 -4.84 115.26 101.46 3dqs n ASN 182 Ca 0.17 -0.45 -0.40 0.00 -0.03 0.00 0.00 54.58 53.87 3dqs n ASN 182 Cb 0.47 -0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 39.57 3dqs n ASN 182 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dqs s ALA 183 N -2.62 2.42 0.56 5.41 0.00 -0.54 -4.72 121.76 122.28 3dqs s ALA 183 Ca 0.24 -0.09 0.25 0.00 0.00 0.00 0.00 51.96 52.36 3dqs s ALA 183 Cb 0.19 -4.17 1.62 0.00 0.00 0.00 0.00 23.12 20.76 3dqs s ALA 183 CO 0.52 -3.37 2.21 -1.35 0.00 0.00 0.00 175.76 173.77 3dqs h PRO 184 N 14.71 0.00 -0.01 0.00 0.11 -1.89 -2.66 132.00 142.26 3dqs h PRO 184 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3dqs h PRO 184 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3dqs h PRO 184 CO 1.12 0.01 -0.16 0.54 -0.21 0.00 0.00 178.00 179.29 3dqs n ARG 185 N -4.06 1.06 -3.11 1.05 1.74 -1.26 -1.30 116.66 110.78 3dqs n ARG 185 Ca -0.03 -0.59 -0.41 0.00 -0.77 0.00 0.00 57.85 56.04 3dqs n ARG 185 Cb 0.09 -1.49 -0.07 0.00 -1.02 0.00 0.00 32.46 29.98 3dqs n ARG 185 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dqs n VAL 187 N 5.45 0.00 -0.64 0.00 3.14 -1.26 -3.81 118.33 121.22 3dqs n VAL 187 Ca -0.01 -0.01 0.06 0.00 -2.96 0.00 0.00 64.34 61.43 3dqs n VAL 187 Cb 0.49 -0.25 0.35 0.00 -1.06 0.00 0.00 33.84 33.37 3dqs n VAL 187 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3dqs n GLY 188 N 1.46 2.78 0.02 7.55 0.00 -1.26 -4.45 105.19 111.29 3dqs n GLY 188 Ca 0.08 -0.81 0.04 0.00 0.00 0.00 0.00 46.02 45.34 3dqs n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dqs n ARG 189 N 0.58 0.03 0.31 1.61 1.74 -1.25 -2.10 116.66 117.57 3dqs n ARG 189 Ca 0.24 0.41 0.21 0.00 -0.77 0.00 0.00 57.85 57.94 3dqs n ARG 189 Cb 1.06 -1.57 1.04 0.00 -1.02 0.00 0.00 32.46 31.97 3dqs n ARG 189 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3dqs h ILE 190 N 0.00 0.00 -0.01 0.55 2.10 -1.86 0.02 117.51 118.32 3dqs h ILE 190 Ca 0.00 -0.13 0.00 0.00 1.08 0.00 0.00 64.86 65.81 3dqs h ILE 190 Cb 0.12 1.09 0.00 0.00 -1.09 0.00 0.00 36.82 36.94 3dqs h ILE 190 CO 0.00 0.00 -0.10 0.00 -1.08 0.00 0.00 178.15 176.97 3dqs n GLN 191 N -3.01 1.17 -0.41 2.19 1.13 -0.89 -4.57 117.38 112.98 3dqs n GLN 191 Ca -0.02 -0.60 0.36 0.00 -1.94 0.00 0.00 57.00 54.80 3dqs n GLN 191 Cb 0.13 -1.49 0.69 0.00 0.11 0.00 0.00 30.24 29.68 3dqs n GLN 191 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 3dqs h TRP 192 N 1.46 0.27 -0.00 1.08 5.08 -1.17 0.15 115.95 122.82 3dqs h TRP 192 Ca 0.00 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.98 3dqs h TRP 192 Cb 0.43 -0.07 0.00 0.00 -3.00 0.00 0.00 29.16 26.52 3dqs h TRP 192 CO 0.00 -0.03 -0.03 0.41 -1.28 0.00 0.00 178.44 177.50 3dqs n GLY 193 N -1.67 -1.47 3.15 11.11 0.00 -1.26 -4.48 105.19 110.56 3dqs n GLY 193 Ca 0.31 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 3dqs n GLY 193 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dqs s LYS 194 N -2.98 2.61 -0.12 1.61 2.20 0.54 -5.02 119.74 118.58 3dqs s LYS 194 Ca 0.14 -2.32 -0.05 0.00 -0.36 0.00 0.00 55.97 53.39 3dqs s LYS 194 Cb 0.19 -3.83 0.06 0.00 -1.51 0.00 0.00 37.83 32.73 3dqs s LYS 194 CO 0.54 -1.18 0.24 -1.17 -0.36 0.00 0.00 175.35 173.42 3dqs s LEU 195 N 0.33 -0.12 -0.26 5.43 2.96 -1.26 -4.64 118.68 121.12 3dqs s LEU 195 Ca 0.14 0.54 -0.29 0.00 -0.22 0.00 0.00 54.13 54.30 3dqs s LEU 195 Cb -0.20 0.64 0.01 0.00 0.50 0.00 0.00 46.19 47.14 3dqs s LEU 195 CO -0.04 -0.23 1.05 -1.58 -1.32 0.00 0.00 176.35 174.24 3dqs s GLN 196 N 2.17 4.19 -0.27 1.98 2.00 -0.88 -4.97 119.66 123.87 3dqs s GLN 196 Ca -0.01 1.25 -0.08 0.00 -2.00 0.00 0.00 55.36 54.52 3dqs s GLN 196 Cb -0.12 -3.68 -0.02 0.00 0.80 0.00 0.00 33.01 29.99 3dqs s GLN 196 CO -0.08 -0.73 0.11 0.08 -0.50 0.00 0.00 175.29 174.17 3dqs s VAL 197 N 3.37 4.53 -0.28 1.34 1.01 -1.26 -1.46 120.40 127.65 3dqs s VAL 197 Ca 0.45 -0.20 -0.11 0.00 0.00 0.00 0.00 61.98 62.12 3dqs s VAL 197 Cb -0.14 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 3dqs s VAL 197 CO 0.10 0.25 0.18 -0.36 0.00 0.00 0.00 175.10 175.26 3dqs s PHE 198 N 1.63 3.20 -0.51 5.22 0.08 0.38 -5.00 117.98 122.99 3dqs s PHE 198 Ca 0.06 0.03 -0.25 0.00 0.12 0.00 0.00 56.93 56.88 3dqs s PHE 198 Cb -0.16 -2.37 0.03 0.00 -0.57 0.00 0.00 43.02 39.96 3dqs s PHE 198 CO 0.05 -0.20 0.96 0.34 -0.10 0.00 0.00 175.22 176.27 3dqs s ASP 199 N 1.74 6.43 -0.18 1.36 3.68 -1.26 -0.86 116.67 127.57 3dqs s ASP 199 Ca 0.07 -0.08 0.16 0.00 2.13 0.00 0.00 52.55 54.83 3dqs s ASP 199 Cb -0.16 -2.46 0.46 0.00 -1.45 0.00 0.00 42.92 39.32 3dqs s ASP 199 CO 0.10 -1.17 1.35 0.00 0.13 0.00 0.00 175.17 175.58 3dqs n ALA 200 N 7.42 2.99 0.37 3.66 0.00 0.94 -4.69 120.51 131.20 3dqs n ALA 200 Ca 0.05 -2.53 0.04 0.00 0.00 0.00 0.00 53.44 50.99 3dqs n ALA 200 Cb 0.48 -0.62 0.20 0.00 0.00 0.00 0.00 19.45 19.52 3dqs n ALA 200 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3dqs n ARG 201 N -0.86 0.09 -2.00 0.00 1.74 -1.02 -2.63 116.66 111.98 3dqs n ARG 201 Ca 0.21 0.24 -0.35 0.00 -0.77 0.00 0.00 57.85 57.18 3dqs n ARG 201 Cb 0.84 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.81 3dqs n ARG 201 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3dqs n ASP 202 N -1.33 6.67 -4.37 0.55 5.75 -1.26 -4.51 116.55 118.04 3dqs n ASP 202 Ca 0.04 -3.80 -0.34 0.00 -0.01 0.00 0.00 54.79 50.68 3dqs n ASP 202 Cb 0.07 -0.86 -0.14 0.00 -1.03 0.00 0.00 41.12 39.17 3dqs n ASP 202 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3dqs n SER 204 N 3.87 1.81 -3.50 0.00 3.41 -1.26 -4.79 113.62 113.16 3dqs n SER 204 Ca -0.18 -1.82 -0.13 0.00 -0.26 0.00 0.00 58.87 56.48 3dqs n SER 204 Cb 0.52 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.43 3dqs n SER 204 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3dqs s SER 205 N -0.82 -0.50 0.31 4.04 1.04 -1.26 -4.98 113.70 111.52 3dqs s SER 205 Ca 0.00 0.10 0.01 0.00 0.48 0.00 0.00 55.95 56.53 3dqs s SER 205 Cb 0.00 0.55 0.54 0.00 0.10 0.00 0.00 66.02 67.21 3dqs s SER 205 CO 0.00 -0.85 1.93 0.00 0.98 0.00 0.00 173.24 175.30 3dqs h ALA 206 N 2.37 1.52 -0.96 5.32 0.00 -1.91 -1.28 119.26 124.32 3dqs h ALA 206 Ca -0.32 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.56 3dqs h ALA 206 Cb 1.26 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 3dqs h ALA 206 CO 0.40 0.36 0.62 0.37 0.00 0.00 0.00 179.25 181.01 3dqs h GLN 207 N 1.01 1.27 -0.10 0.00 5.75 -1.95 -0.24 115.11 120.85 3dqs h GLN 207 Ca 0.37 -0.08 -0.15 0.00 -0.15 0.00 0.00 58.65 58.63 3dqs h GLN 207 Cb 0.16 -0.28 -0.01 0.00 1.07 0.00 0.00 27.48 28.41 3dqs h GLN 207 CO -0.13 0.85 -0.60 0.93 -2.65 0.00 0.00 178.83 177.23 3dqs h GLU 208 N 1.30 0.33 -0.78 1.69 5.08 -1.69 -2.50 114.58 118.00 3dqs h GLU 208 Ca 0.35 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3dqs h GLU 208 Cb -0.13 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 3dqs h GLU 208 CO -0.07 0.83 0.44 0.52 -1.00 0.00 0.00 179.01 179.73 3dqs h MET 209 N 0.24 1.09 -0.67 2.33 2.86 -0.30 -1.58 114.93 118.89 3dqs h MET 209 Ca -0.00 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.47 3dqs h MET 209 Cb 1.11 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 32.53 3dqs h MET 209 CO 0.10 0.79 0.25 0.35 1.06 0.00 0.00 176.91 179.46 3dqs h PHE 210 N 1.08 1.04 -0.47 -0.22 3.04 -0.78 -0.09 116.94 120.55 3dqs h PHE 210 Ca 0.28 -0.09 -0.04 0.00 3.98 0.00 0.00 57.97 62.10 3dqs h PHE 210 Cb 0.01 -0.31 -0.02 0.00 2.56 0.00 0.00 35.95 38.19 3dqs h PHE 210 CO -0.00 0.82 0.13 1.15 -2.02 0.00 0.00 178.31 178.39 3dqs h THR 211 N 0.96 1.23 -0.41 4.41 2.02 -1.07 -1.22 112.91 118.83 3dqs h THR 211 Ca 0.22 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 3dqs h THR 211 Cb 0.24 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 3dqs h THR 211 CO -0.01 0.28 0.22 1.88 0.37 0.00 0.00 175.52 178.25 3dqs h TYR 212 N 0.62 0.57 -0.85 3.16 -1.99 -1.05 -2.10 116.97 115.33 3dqs h TYR 212 Ca 0.15 -0.02 0.02 0.00 2.00 0.00 0.00 58.73 60.88 3dqs h TYR 212 Cb 0.30 -0.18 -0.05 0.00 2.00 0.00 0.00 36.73 38.80 3dqs h TYR 212 CO 0.02 0.45 0.55 0.82 -0.00 0.00 0.00 178.16 180.00 3dqs h ILE 213 N 0.53 1.17 -0.58 -2.88 2.04 -0.76 -0.21 117.51 116.82 3dqs h ILE 213 Ca 0.14 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 3dqs h ILE 213 Cb 0.08 -0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.11 3dqs h ILE 213 CO -0.02 0.20 0.25 0.00 0.00 0.00 0.00 178.15 178.58 3dqs h ASN 215 N 0.79 0.45 0.02 0.00 2.35 -0.85 -0.89 115.58 117.45 3dqs h ASN 215 Ca 0.19 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3dqs h ASN 215 Cb 0.17 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.42 3dqs h ASN 215 CO -0.02 0.58 -0.01 -0.74 -1.65 0.00 0.00 177.43 175.59 3dqs h HIS 216 N 0.44 -0.03 0.07 1.19 2.76 -0.42 -1.52 115.15 117.66 3dqs h HIS 216 Ca 0.09 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 3dqs h HIS 216 Cb 0.43 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.39 3dqs h HIS 216 CO 0.01 0.14 -0.08 0.82 -1.30 0.00 0.00 177.93 177.53 3dqs h ILE 217 N -0.19 0.81 -0.41 6.26 2.04 -0.92 0.22 117.51 125.32 3dqs h ILE 217 Ca -0.00 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.92 3dqs h ILE 217 Cb 0.18 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 3dqs h ILE 217 CO 0.00 0.00 0.09 0.11 0.00 0.00 0.00 178.15 178.35 3dqs h LYS 218 N -0.18 0.21 -0.03 2.37 1.57 -1.13 0.32 116.57 119.70 3dqs h LYS 218 Ca 0.01 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3dqs h LYS 218 Cb 0.18 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 3dqs h LYS 218 CO -0.03 0.14 0.01 -0.92 -0.57 0.00 0.00 179.45 178.08 3dqs h TYR 219 N 0.22 0.04 -0.51 -1.35 5.03 -1.00 -1.99 116.97 117.41 3dqs h TYR 219 Ca 0.20 -0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.42 3dqs h TYR 219 Cb 0.24 -0.01 -0.02 0.00 1.55 0.00 0.00 36.73 38.48 3dqs h TYR 219 CO -0.20 0.20 -0.00 0.00 -1.32 0.00 0.00 178.16 176.84 3dqs h ALA 220 N 0.84 1.03 -0.25 1.82 0.00 -0.27 -3.19 119.26 119.24 3dqs h ALA 220 Ca 0.01 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 3dqs h ALA 220 Cb 0.18 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3dqs h ALA 220 CO -0.00 0.60 -0.39 1.15 0.00 0.00 0.00 179.25 180.61 3dqs h THR 221 N 0.80 1.31 -6.98 0.00 2.02 -0.34 -1.20 112.91 108.52 3dqs h THR 221 Ca 0.15 -1.59 -0.59 0.00 0.77 0.00 0.00 66.41 65.15 3dqs h THR 221 Cb 0.48 1.73 -0.22 0.00 -1.74 0.00 0.00 68.15 68.40 3dqs h THR 221 CO 0.02 0.50 -0.93 -3.20 0.37 0.00 0.00 175.52 172.29 3dqs n ASN 222 N -4.21 -0.38 -2.00 4.18 4.05 -0.75 -0.31 115.26 115.85 3dqs n ASN 222 Ca -0.05 -1.20 -0.18 0.00 0.45 0.00 0.00 54.58 53.61 3dqs n ASN 222 Cb 0.53 -1.97 -0.04 0.00 1.23 0.00 0.00 39.78 39.53 3dqs n ASN 222 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 3dqs n ARG 223 N -4.41 -1.66 0.00 1.20 1.74 -1.26 -1.94 116.66 110.33 3dqs n ARG 223 Ca -0.18 0.95 0.00 0.00 -0.77 0.00 0.00 57.85 57.85 3dqs n ARG 223 Cb 0.62 -5.45 0.00 0.00 -1.02 0.00 0.00 32.46 26.61 3dqs n ARG 223 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dqs n GLY 224 N -0.66 2.73 3.11 -0.13 0.00 0.58 -4.92 105.19 105.90 3dqs n GLY 224 Ca -0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 3dqs n GLY 224 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3dqs n ASN 225 N 0.00 5.65 -4.60 1.61 5.15 -0.82 -0.79 115.26 121.47 3dqs n ASN 225 Ca 0.00 -3.18 -0.42 0.00 -0.60 0.00 0.00 54.58 50.38 3dqs n ASN 225 Cb 0.00 -1.41 0.00 0.00 -0.53 0.00 0.00 39.78 37.85 3dqs n ASN 225 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3dqs n LEU 226 N 3.09 2.23 -4.00 1.20 4.32 -1.24 -4.54 117.00 118.06 3dqs n LEU 226 Ca 0.32 1.07 -0.23 0.00 -0.02 0.00 0.00 56.01 57.15 3dqs n LEU 226 Cb 0.37 -1.32 -0.16 0.00 -1.62 0.00 0.00 43.42 40.68 3dqs n LEU 226 CO 0.69 -1.52 -0.45 -0.13 -1.22 0.00 0.00 177.39 174.76 3dqs s ARG 227 N -1.85 1.38 0.32 3.23 0.52 -0.45 -5.00 118.95 117.09 3dqs s ARG 227 Ca 0.62 -0.34 -0.29 0.00 -0.52 0.00 0.00 55.73 55.20 3dqs s ARG 227 Cb -0.60 -1.20 -0.10 0.00 0.52 0.00 0.00 34.95 33.57 3dqs s ARG 227 CO 0.58 0.03 1.33 -1.12 0.02 0.00 0.00 175.30 176.15 3dqs s SER 228 N 0.59 6.73 0.11 0.23 0.01 -1.26 -4.46 113.70 115.65 3dqs s SER 228 Ca -0.11 2.70 -0.20 0.00 1.31 0.00 0.00 55.95 59.65 3dqs s SER 228 Cb -0.14 -2.65 0.05 0.00 0.21 0.00 0.00 66.02 63.49 3dqs s SER 228 CO 0.02 -0.58 0.49 0.00 0.41 0.00 0.00 173.24 173.58 3dqs s ALA 229 N -0.98 -1.22 -0.01 1.44 0.00 -0.44 -2.08 121.76 118.47 3dqs s ALA 229 Ca 0.51 0.28 -0.02 0.00 0.00 0.00 0.00 51.96 52.73 3dqs s ALA 229 Cb -0.40 0.65 -0.00 0.00 0.00 0.00 0.00 23.12 23.37 3dqs s ALA 229 CO 0.52 -0.64 0.04 -1.50 0.00 0.00 0.00 175.76 174.19 3dqs s ILE 230 N -3.39 0.04 -0.13 0.00 2.07 -0.54 -0.55 121.20 118.71 3dqs s ILE 230 Ca -0.00 -0.34 0.03 0.00 -1.41 0.00 0.00 60.65 58.93 3dqs s ILE 230 Cb 0.00 -0.18 0.01 0.00 0.13 0.00 0.00 42.46 42.42 3dqs s ILE 230 CO -0.09 -0.19 -0.23 -0.89 -1.91 0.00 0.00 174.94 171.64 3dqs s THR 231 N -0.56 2.06 -0.26 4.00 2.01 -0.60 -0.47 115.64 121.82 3dqs s THR 231 Ca -0.06 -0.99 -0.06 0.00 0.31 0.00 0.00 61.69 60.89 3dqs s THR 231 Cb -0.04 -1.80 -0.01 0.00 0.01 0.00 0.00 72.50 70.66 3dqs s THR 231 CO -0.00 0.55 0.04 -0.69 -0.69 0.00 0.00 174.62 173.84 3dqs s VAL 232 N 0.67 3.91 0.62 3.82 1.01 -0.04 -2.79 120.40 127.61 3dqs s VAL 232 Ca -0.11 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.40 3dqs s VAL 232 Cb -0.16 -2.90 0.07 0.00 0.00 0.00 0.00 36.38 33.39 3dqs s VAL 232 CO 0.01 0.25 0.86 -0.36 0.00 0.00 0.00 175.10 175.86 3dqs s PHE 233 N 1.53 2.35 0.22 5.22 0.08 -0.44 -0.04 117.98 126.89 3dqs s PHE 233 Ca 0.05 -0.12 -0.31 0.00 0.12 0.00 0.00 56.93 56.66 3dqs s PHE 233 Cb -0.16 -2.83 -0.15 0.00 -0.57 0.00 0.00 43.02 39.31 3dqs s PHE 233 CO 0.01 -1.20 1.14 -2.30 -0.10 0.00 0.00 175.22 172.78 3dqs n PRO 234 N -2.53 1.32 -0.94 0.24 -0.02 -1.26 -4.67 135.00 127.14 3dqs n PRO 234 Ca 0.11 0.47 -0.31 0.00 -2.02 0.00 0.00 63.50 61.75 3dqs n PRO 234 Cb 0.60 -1.94 0.14 0.00 -0.02 0.00 0.00 33.50 32.28 3dqs n PRO 234 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3dqs s GLN 235 N -0.74 1.37 0.50 -0.52 -2.07 -1.26 -4.55 119.66 112.38 3dqs s GLN 235 Ca 0.68 1.30 -0.22 0.00 -1.82 0.00 0.00 55.36 55.30 3dqs s GLN 235 Cb -0.78 -1.79 -0.06 0.00 -1.09 0.00 0.00 33.01 29.29 3dqs s GLN 235 CO 0.54 -2.31 1.18 1.03 -1.32 0.00 0.00 175.29 174.42 3dqs s ARG 236 N -4.76 3.53 0.02 9.60 0.52 0.15 -4.92 118.95 123.09 3dqs s ARG 236 Ca 0.64 1.80 0.03 0.00 -0.52 0.00 0.00 55.73 57.68 3dqs s ARG 236 Cb -0.20 -2.26 -0.01 0.00 0.52 0.00 0.00 34.95 32.99 3dqs s ARG 236 CO 0.58 -0.75 -0.09 0.00 0.02 0.00 0.00 175.30 175.06 3dqs s ALA 237 N -1.57 0.73 0.32 2.13 0.00 -1.26 -4.77 121.76 117.34 3dqs s ALA 237 Ca 0.68 -0.55 -0.29 0.00 0.00 0.00 0.00 51.96 51.80 3dqs s ALA 237 Cb -0.29 -0.11 -0.13 0.00 0.00 0.00 0.00 23.12 22.60 3dqs s ALA 237 CO 0.34 0.12 1.31 -2.30 0.00 0.00 0.00 175.76 175.23 3dqs n PRO 238 N 2.28 2.10 -3.72 0.00 -0.02 -1.26 -3.20 135.00 131.18 3dqs n PRO 238 Ca -0.17 0.74 -0.29 0.00 -2.02 0.00 0.00 63.50 61.76 3dqs n PRO 238 Cb 0.56 -2.33 0.03 0.00 -0.02 0.00 0.00 33.50 31.74 3dqs n PRO 238 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dqs n GLY 239 N 1.05 -0.81 3.64 -1.23 0.00 -1.26 -4.98 105.19 101.61 3dqs n GLY 239 Ca 0.06 0.38 -0.07 0.00 0.00 0.00 0.00 46.02 46.39 3dqs n GLY 239 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dqs s ARG 240 N -6.04 0.36 0.82 1.61 3.52 -1.19 -5.16 118.95 112.86 3dqs s ARG 240 Ca 0.36 0.42 -0.11 0.00 -0.13 0.00 0.00 55.73 56.27 3dqs s ARG 240 Cb -0.12 0.18 0.08 0.00 -1.56 0.00 0.00 34.95 33.52 3dqs s ARG 240 CO 0.86 -0.04 1.09 0.20 -0.81 0.00 0.00 175.30 176.60 3dqs s GLY 241 N 0.14 1.66 0.48 8.12 0.00 -1.26 -4.61 107.32 111.84 3dqs s GLY 241 Ca 0.05 0.16 -0.13 0.00 0.00 0.00 0.00 44.72 44.80 3dqs s GLY 241 CO -0.09 0.56 0.88 0.99 0.00 0.00 0.00 173.10 175.44 3dqs s ASP 242 N -3.39 6.52 0.09 1.64 -0.00 -1.26 -4.47 116.67 115.80 3dqs s ASP 242 Ca 0.62 1.33 -0.26 0.00 -0.00 0.00 0.00 52.55 54.23 3dqs s ASP 242 Cb -0.18 -2.41 -0.06 0.00 -0.00 0.00 0.00 42.92 40.27 3dqs s ASP 242 CO 0.56 -0.53 0.81 -0.36 -0.00 0.00 0.00 175.17 175.65 3dqs s PHE 243 N -2.58 3.80 -0.02 4.23 0.40 -1.26 -3.75 117.98 118.81 3dqs s PHE 243 Ca 0.54 1.58 -0.12 0.00 -0.60 0.00 0.00 56.93 58.34 3dqs s PHE 243 Cb -0.10 -2.85 0.02 0.00 0.51 0.00 0.00 43.02 40.60 3dqs s PHE 243 CO 0.34 0.33 0.25 1.03 0.70 0.00 0.00 175.22 177.88 3dqs s ARG 244 N -0.37 0.59 -0.23 0.44 1.81 -0.09 -3.72 118.95 117.38 3dqs s ARG 244 Ca 0.39 -0.21 -0.04 0.00 -1.72 0.00 0.00 55.73 54.15 3dqs s ARG 244 Cb -0.22 0.26 -0.01 0.00 -0.45 0.00 0.00 34.95 34.53 3dqs s ARG 244 CO 0.25 -0.15 -0.02 0.42 -0.68 0.00 0.00 175.30 175.12 3dqs s ILE 245 N -1.24 3.48 0.29 1.52 1.01 -1.26 -0.34 121.20 124.66 3dqs s ILE 245 Ca -0.13 -0.50 0.06 0.00 0.00 0.00 0.00 60.65 60.08 3dqs s ILE 245 Cb -0.06 -2.61 0.04 0.00 0.01 0.00 0.00 42.46 39.84 3dqs s ILE 245 CO 0.03 0.38 1.70 -0.50 0.00 0.00 0.00 174.94 176.55 3dqs h TRP 246 N 8.13 0.33 -4.07 3.97 4.06 -1.49 -3.42 115.95 123.45 3dqs h TRP 246 Ca -0.40 -0.09 -0.51 0.00 2.06 0.00 0.00 58.89 59.95 3dqs h TRP 246 Cb 1.16 -0.07 0.09 0.00 -1.00 0.00 0.00 29.16 29.33 3dqs h TRP 246 CO 0.60 0.63 0.46 -0.80 -3.56 0.00 0.00 178.44 175.77 3dqs s ASN 247 N -6.87 5.59 0.31 -3.49 -0.87 -1.26 -4.93 114.94 103.41 3dqs s ASN 247 Ca -0.05 2.30 0.19 0.00 -1.57 0.00 0.00 52.86 53.73 3dqs s ASN 247 Cb 0.13 -2.59 0.13 0.00 -0.02 0.00 0.00 41.25 38.90 3dqs s ASN 247 CO 0.78 -1.31 1.40 0.77 -2.57 0.00 0.00 177.10 176.16 3dqs h SER 248 N 1.25 0.00 -5.04 -1.22 4.64 -1.91 -3.33 113.55 107.95 3dqs h SER 248 Ca -0.50 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.66 3dqs h SER 248 Cb 1.27 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.17 3dqs h SER 248 CO 0.57 0.28 -0.70 -1.10 -0.87 0.00 0.00 176.83 175.02 3dqs s GLN 249 N -3.08 0.43 0.30 4.77 -0.21 -1.26 -0.89 119.66 119.72 3dqs s GLN 249 Ca 0.04 -0.83 0.03 0.00 0.02 0.00 0.00 55.36 54.62 3dqs s GLN 249 Cb 0.07 0.11 0.47 0.00 1.00 0.00 0.00 33.01 34.65 3dqs s GLN 249 CO 0.73 -0.06 1.76 -0.07 -2.12 0.00 0.00 175.29 175.53 3dqs h LEU 250 N 4.13 0.46 -8.14 2.90 3.38 -1.37 -3.40 115.31 113.27 3dqs h LEU 250 Ca -0.33 -0.14 -0.67 0.00 0.09 0.00 0.00 57.88 56.83 3dqs h LEU 250 Cb 1.19 -0.13 -0.34 0.00 0.09 0.00 0.00 40.66 41.47 3dqs h LEU 250 CO 0.49 0.68 -0.87 -0.69 0.09 0.00 0.00 178.44 178.15 3dqs s VAL 251 N -4.59 2.05 -0.02 1.22 1.01 -1.26 -4.90 120.40 113.90 3dqs s VAL 251 Ca -0.07 -0.96 -0.18 0.00 0.00 0.00 0.00 61.98 60.77 3dqs s VAL 251 Cb 0.14 -1.83 0.03 0.00 0.00 0.00 0.00 36.38 34.72 3dqs s VAL 251 CO 0.78 0.54 0.38 -0.13 0.00 0.00 0.00 175.10 176.68 3dqs s ARG 252 N 1.03 0.74 0.00 2.72 1.81 -1.26 -4.88 118.95 119.11 3dqs s ARG 252 Ca -0.02 -0.08 -0.15 0.00 -1.72 0.00 0.00 55.73 53.76 3dqs s ARG 252 Cb -0.14 0.33 -0.06 0.00 -0.45 0.00 0.00 34.95 34.63 3dqs s ARG 252 CO -0.07 -0.21 0.42 0.71 -0.68 0.00 0.00 175.30 175.48 3dqs s TYR 253 N -1.26 3.73 0.70 -0.53 2.02 -1.26 -0.30 117.35 120.45 3dqs s TYR 253 Ca -0.13 1.02 -0.16 0.00 -0.37 0.00 0.00 57.07 57.43 3dqs s TYR 253 Cb -0.04 -2.31 0.02 0.00 -0.40 0.00 0.00 41.96 39.23 3dqs s TYR 253 CO 0.05 0.63 1.25 0.00 -1.57 0.00 0.00 175.55 175.91 3dqs s ALA 254 N -1.06 2.21 -0.23 3.71 0.00 0.68 -4.25 121.76 122.84 3dqs s ALA 254 Ca 0.24 1.03 -0.01 0.00 0.00 0.00 0.00 51.96 53.23 3dqs s ALA 254 Cb -0.17 -3.51 0.06 0.00 0.00 0.00 0.00 23.12 19.51 3dqs s ALA 254 CO 0.14 -1.78 0.00 0.20 0.00 0.00 0.00 175.76 174.33 3dqs s GLY 255 N -1.73 1.02 -0.23 0.00 0.00 -1.24 -1.10 107.32 104.04 3dqs s GLY 255 Ca 0.78 -1.12 -0.08 0.00 0.00 0.00 0.00 44.72 44.30 3dqs s GLY 255 CO 0.43 1.22 0.08 -0.19 0.00 0.00 0.00 173.10 174.64 3dqs s TYR 256 N 1.61 3.15 -0.04 1.90 1.51 0.70 -4.07 117.35 122.12 3dqs s TYR 256 Ca -0.02 -0.18 -0.30 0.00 -1.01 0.00 0.00 57.07 55.57 3dqs s TYR 256 Cb -0.18 -2.20 -0.05 0.00 -0.11 0.00 0.00 41.96 39.42 3dqs s TYR 256 CO -0.09 -0.15 1.44 1.03 -1.11 0.00 0.00 175.55 176.67 3dqs s ARG 257 N 1.20 4.25 0.63 -0.62 1.81 -1.26 -0.90 118.95 124.06 3dqs s ARG 257 Ca 0.05 1.97 -0.03 0.00 -1.72 0.00 0.00 55.73 56.00 3dqs s ARG 257 Cb -0.14 -3.69 0.05 0.00 -0.45 0.00 0.00 34.95 30.71 3dqs s ARG 257 CO 0.04 -0.66 0.90 -0.65 -0.68 0.00 0.00 175.30 174.25 3dqs s GLN 258 N 2.92 2.38 0.12 3.54 -1.52 -0.41 -4.95 119.66 121.74 3dqs s GLN 258 Ca 0.65 -0.48 -0.28 0.00 -1.95 0.00 0.00 55.36 53.30 3dqs s GLN 258 Cb -0.30 -2.32 -0.07 0.00 -0.22 0.00 0.00 33.01 30.10 3dqs s GLN 258 CO 0.25 -0.98 1.61 1.96 -0.25 0.00 0.00 175.29 177.88 3dqs h GLN 259 N -0.28 -0.51 -1.56 2.91 4.20 -1.95 -2.75 115.11 115.17 3dqs h GLN 259 Ca -0.43 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.31 3dqs h GLN 259 Cb 1.30 0.12 0.00 0.00 0.30 0.00 0.00 27.48 29.20 3dqs h GLN 259 CO 0.57 -0.34 0.00 -0.40 -0.67 0.00 0.00 178.83 177.99 3dqs n ASP 260 N -5.43 1.36 0.00 1.46 5.75 -1.26 -4.76 116.55 113.67 3dqs n ASP 260 Ca -0.06 -0.91 0.00 0.00 -0.01 0.00 0.00 54.79 53.82 3dqs n ASP 260 Cb 0.34 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 3dqs n ASP 260 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dqs n GLY 261 N 0.80 0.72 3.00 6.12 0.00 -1.04 -4.97 105.19 109.82 3dqs n GLY 261 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 3dqs n GLY 261 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dqs n SER 262 N 0.00 0.15 -3.86 1.61 3.41 -1.26 -4.82 113.62 108.86 3dqs n SER 262 Ca 0.00 -1.41 -0.17 0.00 -0.26 0.00 0.00 58.87 57.03 3dqs n SER 262 Cb 0.00 -0.77 -0.16 0.00 -0.26 0.00 0.00 64.21 63.02 3dqs n SER 262 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3dqs s VAL 263 N -3.19 0.25 -0.23 -3.33 1.01 -1.26 -1.29 120.40 112.37 3dqs s VAL 263 Ca 0.58 -0.00 -0.10 0.00 0.00 0.00 0.00 61.98 62.46 3dqs s VAL 263 Cb -0.02 -0.31 -0.05 0.00 0.00 0.00 0.00 36.38 36.01 3dqs s VAL 263 CO 0.41 0.14 0.14 -0.60 0.00 0.00 0.00 175.10 175.19 3dqs s ARG 264 N 0.73 4.08 0.00 2.72 3.52 -0.08 -4.91 118.95 125.02 3dqs s ARG 264 Ca -0.08 -0.27 0.00 0.00 -0.13 0.00 0.00 55.73 55.26 3dqs s ARG 264 Cb -0.11 -3.49 0.00 0.00 -1.56 0.00 0.00 34.95 29.80 3dqs s ARG 264 CO -0.01 0.13 0.00 0.41 -0.81 0.00 0.00 175.30 175.02 3dqs n GLY 265 N 4.07 0.10 3.51 8.12 0.00 -1.26 -0.22 105.19 119.52 3dqs n GLY 265 Ca -0.15 -1.81 -0.43 0.00 0.00 0.00 0.00 46.02 43.62 3dqs n GLY 265 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dqs s ASP 266 N -4.00 6.32 0.64 1.61 3.68 -0.26 -4.77 116.67 119.89 3dqs s ASP 266 Ca 0.00 -0.36 0.37 0.00 2.13 0.00 0.00 52.55 54.69 3dqs s ASP 266 Cb 0.00 -2.32 2.09 0.00 -1.45 0.00 0.00 42.92 41.24 3dqs s ASP 266 CO 0.00 -0.79 2.26 -0.65 0.13 0.00 0.00 175.17 176.12 3dqs h PRO 267 N 8.89 0.00 0.00 4.34 0.11 -1.83 -0.63 132.00 142.88 3dqs h PRO 267 Ca -0.25 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.84 3dqs h PRO 267 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3dqs h PRO 267 CO 0.90 0.00 -0.09 0.00 -0.21 0.00 0.00 178.00 178.59 3dqs h ALA 268 N 1.90 1.02 -0.43 -0.75 0.00 -1.92 -3.23 119.26 115.85 3dqs h ALA 268 Ca 0.01 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 3dqs h ALA 268 Cb 0.14 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 3dqs h ALA 268 CO -0.00 0.12 0.06 0.09 0.00 0.00 0.00 179.25 179.52 3dqs n ASN 269 N -3.23 3.80 0.31 0.00 3.02 -0.25 -4.70 115.26 114.22 3dqs n ASN 269 Ca 0.00 -3.27 -0.17 0.00 -0.03 0.00 0.00 54.58 51.11 3dqs n ASN 269 Cb 0.36 -0.63 -0.08 0.00 -0.61 0.00 0.00 39.78 38.82 3dqs n ASN 269 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3dqs h VAL 270 N 1.84 0.37 -0.55 2.41 2.07 -1.65 -0.78 116.25 119.96 3dqs h VAL 270 Ca 0.14 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.73 3dqs h VAL 270 Cb 1.77 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 31.85 3dqs h VAL 270 CO 0.42 0.00 0.21 -0.08 0.02 0.00 0.00 177.57 178.14 3dqs h GLU 271 N -0.80 0.39 -0.21 1.57 4.81 -1.87 -0.71 114.58 117.77 3dqs h GLU 271 Ca -0.07 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.00 3dqs h GLU 271 Cb 0.64 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 3dqs h GLU 271 CO 0.09 0.26 -0.42 0.97 -0.73 0.00 0.00 179.01 179.18 3dqs h ILE 272 N 0.40 1.31 -0.84 2.32 6.09 -1.88 -1.77 117.51 123.13 3dqs h ILE 272 Ca 0.26 -1.60 -0.02 0.00 -1.37 0.00 0.00 64.86 62.13 3dqs h ILE 272 Cb 0.28 1.61 -0.04 0.00 0.47 0.00 0.00 36.82 39.14 3dqs h ILE 272 CO -0.25 0.50 0.44 0.74 -3.07 0.00 0.00 178.15 176.50 3dqs h THR 273 N 0.41 1.25 -0.14 2.19 2.02 -0.36 -1.63 112.91 116.66 3dqs h THR 273 Ca 0.03 -0.67 -0.12 0.00 0.77 0.00 0.00 66.41 66.43 3dqs h THR 273 Cb 0.91 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 3dqs h THR 273 CO 0.08 0.29 -0.42 -0.33 0.37 0.00 0.00 175.52 175.51 3dqs h GLU 274 N 1.18 0.33 -0.46 6.66 5.08 -0.93 -2.56 114.58 123.88 3dqs h GLU 274 Ca 0.29 -0.17 -0.13 0.00 -1.00 0.00 0.00 59.36 58.36 3dqs h GLU 274 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3dqs h GLU 274 CO -0.04 0.70 -0.22 -0.07 -1.00 0.00 0.00 179.01 178.38 3dqs h LEU 275 N 0.28 0.97 -0.49 1.33 3.38 -0.82 -1.64 115.31 118.33 3dqs h LEU 275 Ca 0.02 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 3dqs h LEU 275 Cb 0.86 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 3dqs h LEU 275 CO 0.07 1.15 0.26 0.00 0.09 0.00 0.00 178.44 180.01 3dqs h ILE 277 N 0.65 1.13 -0.60 0.00 2.04 -1.36 -0.52 117.51 118.85 3dqs h ILE 277 Ca 0.17 -0.36 0.12 0.00 1.00 0.00 0.00 64.86 65.78 3dqs h ILE 277 Cb 0.07 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 3dqs h ILE 277 CO -0.03 0.11 0.40 -0.61 0.00 0.00 0.00 178.15 178.03 3dqs h GLN 278 N 0.09 0.30 -1.14 2.37 4.15 -1.09 0.10 115.11 119.89 3dqs h GLN 278 Ca 0.05 -0.02 -0.40 0.00 0.77 0.00 0.00 58.65 59.05 3dqs h GLN 278 Cb 0.12 -0.07 -0.20 0.00 0.21 0.00 0.00 27.48 27.54 3dqs h GLN 278 CO -0.01 0.20 0.51 0.72 -1.93 0.00 0.00 178.83 178.32 3dqs n HIS 279 N -4.46 2.12 -0.96 3.99 8.25 -0.27 -4.86 115.22 119.03 3dqs n HIS 279 Ca 0.10 -1.83 0.00 0.00 -0.26 0.00 0.00 57.72 55.74 3dqs n HIS 279 Cb 0.44 -0.91 0.00 0.00 1.12 0.00 0.00 29.99 30.65 3dqs n HIS 279 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3dqs n GLY 280 N -0.40 0.47 3.76 -1.41 0.00 0.01 -4.78 105.19 102.84 3dqs n GLY 280 Ca 0.41 -0.46 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 3dqs n GLY 280 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3dqs s TRP 281 N -2.00 3.89 -0.56 1.61 -0.00 -0.30 -4.98 118.94 116.60 3dqs s TRP 281 Ca 0.00 1.68 -0.22 0.00 -0.00 0.00 0.00 56.10 57.56 3dqs s TRP 281 Cb 0.00 -2.85 0.05 0.00 -0.00 0.00 0.00 33.47 30.67 3dqs s TRP 281 CO 0.00 0.43 0.84 0.99 -0.00 0.00 0.00 176.95 179.22 3dqs s THR 282 N -0.85 4.53 1.10 5.86 2.01 -1.26 -4.45 115.64 122.59 3dqs s THR 282 Ca 0.38 -0.12 -0.12 0.00 0.31 0.00 0.00 61.69 62.14 3dqs s THR 282 Cb -0.23 -4.50 0.25 0.00 0.01 0.00 0.00 72.50 68.03 3dqs s THR 282 CO 0.27 -1.09 1.05 -2.16 -0.69 0.00 0.00 174.62 172.00 3dqs s PRO 283 N 3.54 -0.42 0.00 4.92 0.04 -1.26 -5.07 135.00 136.75 3dqs s PRO 283 Ca 0.24 0.78 0.00 0.00 0.04 0.00 0.00 61.00 62.06 3dqs s PRO 283 Cb -0.16 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.77 3dqs s PRO 283 CO 0.15 -3.37 0.00 0.41 0.04 0.00 0.00 177.00 174.23 3dqs n GLY 284 N 0.19 4.01 0.45 0.56 0.00 -1.26 -5.07 105.19 104.07 3dqs n GLY 284 Ca 0.04 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.97 3dqs n GLY 284 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3dqs n ASN 285 N -0.80 0.00 -3.83 1.61 6.94 -1.26 -5.07 115.26 112.85 3dqs n ASN 285 Ca 0.00 -1.82 -0.17 0.00 -0.02 0.00 0.00 54.58 52.57 3dqs n ASN 285 Cb 0.00 -0.16 0.09 0.00 -2.36 0.00 0.00 39.78 37.35 3dqs n ASN 285 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3dqs n GLY 286 N 0.00 0.49 0.03 4.83 0.00 -1.26 -5.03 105.19 104.25 3dqs n GLY 286 Ca 0.00 -1.98 0.11 0.00 0.00 0.00 0.00 46.02 44.15 3dqs n GLY 286 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dqs n ARG 287 N -2.42 0.44 -2.70 1.61 1.74 -1.26 -4.29 116.66 109.78 3dqs n ARG 287 Ca 0.12 -0.07 -0.16 0.00 -0.77 0.00 0.00 57.85 56.98 3dqs n ARG 287 Cb 0.43 -1.58 0.01 0.00 -1.02 0.00 0.00 32.46 30.31 3dqs n ARG 287 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3dqs n PHE 288 N -2.10 1.78 -2.83 -1.55 3.01 -1.26 -4.33 117.46 110.18 3dqs n PHE 288 Ca -0.00 -3.07 -0.43 0.00 1.01 0.00 0.00 57.45 54.96 3dqs n PHE 288 Cb 0.49 -0.31 -0.04 0.00 -0.01 0.00 0.00 39.48 39.60 3dqs n PHE 288 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3dqs s ASP 289 N -3.16 6.56 0.14 4.37 1.01 -1.26 -4.91 116.67 119.41 3dqs s ASP 289 Ca 0.35 0.28 -0.31 0.00 0.71 0.00 0.00 52.55 53.58 3dqs s ASP 289 Cb 0.42 -2.45 -0.11 0.00 1.01 0.00 0.00 42.92 41.80 3dqs s ASP 289 CO -0.04 -0.96 1.80 -0.69 0.21 0.00 0.00 175.17 175.48 3dqs s VAL 290 N 3.61 2.47 0.68 -1.27 1.01 -1.26 -0.23 120.40 125.41 3dqs s VAL 290 Ca 0.37 0.07 -0.13 0.00 0.00 0.00 0.00 61.98 62.29 3dqs s VAL 290 Cb -0.11 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.23 3dqs s VAL 290 CO 0.23 0.00 1.07 -0.76 0.00 0.00 0.00 175.10 175.64 3dqs s LEU 291 N 2.46 3.25 0.53 3.92 1.43 0.59 -4.85 118.68 126.01 3dqs s LEU 291 Ca 0.79 1.76 -0.03 0.00 -1.03 0.00 0.00 54.13 55.63 3dqs s LEU 291 Cb -0.46 -4.52 0.01 0.00 0.03 0.00 0.00 46.19 41.24 3dqs s LEU 291 CO 0.35 -1.51 0.80 -2.16 0.23 0.00 0.00 176.35 174.06 3dqs s PRO 292 N -4.62 2.95 -0.04 1.29 0.04 -1.26 -4.73 135.00 128.63 3dqs s PRO 292 Ca 0.61 -0.25 -0.14 0.00 0.04 0.00 0.00 61.00 61.26 3dqs s PRO 292 Cb -0.16 -2.40 -0.05 0.00 0.04 0.00 0.00 34.50 31.93 3dqs s PRO 292 CO 0.48 -0.53 0.38 -0.51 0.04 0.00 0.00 177.00 176.86 3dqs s LEU 293 N -4.80 4.43 -0.41 -3.56 1.43 0.57 -4.91 118.68 111.42 3dqs s LEU 293 Ca 0.52 0.86 -0.09 0.00 -1.03 0.00 0.00 54.13 54.39 3dqs s LEU 293 Cb -0.10 -2.52 0.08 0.00 0.03 0.00 0.00 46.19 43.67 3dqs s LEU 293 CO 0.42 0.28 0.25 -0.76 0.23 0.00 0.00 176.35 176.77 3dqs s LEU 294 N -0.76 5.12 -0.14 1.79 1.43 -1.26 -1.32 118.68 123.54 3dqs s LEU 294 Ca 0.22 -1.53 -0.04 0.00 -1.03 0.00 0.00 54.13 51.75 3dqs s LEU 294 Cb -0.16 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 3dqs s LEU 294 CO 0.11 -0.53 0.02 -0.76 0.23 0.00 0.00 176.35 175.42 3dqs s LEU 295 N 1.40 3.60 -0.15 1.79 1.43 -0.31 -1.20 118.68 125.25 3dqs s LEU 295 Ca 0.03 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.21 3dqs s LEU 295 Cb -0.23 -1.87 0.02 0.00 0.03 0.00 0.00 46.19 44.14 3dqs s LEU 295 CO 0.02 0.25 -0.19 -1.58 0.23 0.00 0.00 176.35 175.08 3dqs s GLN 296 N -0.12 2.78 0.32 1.70 0.74 0.54 -0.89 119.66 124.72 3dqs s GLN 296 Ca 0.05 -0.76 -0.03 0.00 0.05 0.00 0.00 55.36 54.67 3dqs s GLN 296 Cb -0.12 -2.34 -0.04 0.00 1.10 0.00 0.00 33.01 31.60 3dqs s GLN 296 CO 0.02 -0.11 0.57 0.00 -0.55 0.00 0.00 175.29 175.22 3dqs s ALA 297 N 1.06 3.63 -0.10 1.58 0.00 -1.26 -0.91 121.76 125.76 3dqs s ALA 297 Ca -0.02 -0.66 -0.41 0.00 0.00 0.00 0.00 51.96 50.87 3dqs s ALA 297 Cb -0.14 -2.26 -0.20 0.00 0.00 0.00 0.00 23.12 20.52 3dqs s ALA 297 CO -0.06 0.12 1.21 -2.30 0.00 0.00 0.00 175.76 174.74 3dqs n PRO 298 N -1.28 0.10 -2.48 0.00 -0.02 -1.25 -2.25 135.00 127.82 3dqs n PRO 298 Ca -0.02 0.04 -0.11 0.00 -2.02 0.00 0.00 63.50 61.38 3dqs n PRO 298 Cb 0.55 -1.55 -0.00 0.00 -0.02 0.00 0.00 33.50 32.47 3dqs n PRO 298 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3dqs n ASP 299 N 2.17 -3.44 -4.32 2.55 8.00 -1.26 -4.86 116.55 115.39 3dqs n ASP 299 Ca 0.22 0.22 -0.21 0.00 0.71 0.00 0.00 54.79 55.73 3dqs n ASP 299 Cb 0.06 -2.95 -0.11 0.00 -0.02 0.00 0.00 41.12 38.10 3dqs n ASP 299 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3dqs s GLU 300 N -5.06 1.23 0.57 -1.24 0.41 -0.95 -5.07 118.70 108.59 3dqs s GLU 300 Ca 0.01 -1.37 -0.19 0.00 -0.41 0.00 0.00 54.97 53.01 3dqs s GLU 300 Cb -0.01 -1.26 -0.04 0.00 -1.78 0.00 0.00 34.13 31.04 3dqs s GLU 300 CO 0.02 0.25 1.16 0.00 -0.49 0.00 0.00 175.26 176.20 3dqs s ALA 301 N -2.05 2.61 0.71 5.21 0.00 -1.26 -4.61 121.76 122.38 3dqs s ALA 301 Ca 0.14 0.88 -0.15 0.00 0.00 0.00 0.00 51.96 52.83 3dqs s ALA 301 Cb -0.06 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.70 3dqs s ALA 301 CO 0.06 -0.97 1.17 -1.25 0.00 0.00 0.00 175.76 174.76 3dqs s PRO 302 N -3.37 2.31 0.08 0.00 0.04 -1.26 -4.75 135.00 128.06 3dqs s PRO 302 Ca 0.74 1.62 0.08 0.00 0.04 0.00 0.00 61.00 63.49 3dqs s PRO 302 Cb -0.26 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 3dqs s PRO 302 CO 0.31 -1.67 -0.17 -1.21 0.04 0.00 0.00 177.00 174.29 3dqs s GLU 303 N -4.01 1.92 -0.15 4.56 2.02 -0.07 -4.90 118.70 118.07 3dqs s GLU 303 Ca 0.71 -1.09 -0.13 0.00 0.02 0.00 0.00 54.97 54.48 3dqs s GLU 303 Cb -0.26 -2.16 -0.05 0.00 0.10 0.00 0.00 34.13 31.77 3dqs s GLU 303 CO 0.45 0.51 0.28 -1.17 0.02 0.00 0.00 175.26 175.34 3dqs s LEU 304 N -1.85 4.26 -0.04 1.80 2.96 -1.26 -1.17 118.68 123.38 3dqs s LEU 304 Ca 0.17 0.51 0.01 0.00 -0.22 0.00 0.00 54.13 54.60 3dqs s LEU 304 Cb -0.11 -2.35 0.02 0.00 0.50 0.00 0.00 46.19 44.25 3dqs s LEU 304 CO 0.08 0.13 -0.03 -0.36 -1.32 0.00 0.00 176.35 174.85 3dqs s PHE 305 N 0.33 0.59 -0.21 5.38 0.40 -0.43 -4.98 117.98 119.06 3dqs s PHE 305 Ca 0.16 -0.13 -0.15 0.00 -0.60 0.00 0.00 56.93 56.21 3dqs s PHE 305 Cb -0.13 -0.56 -0.04 0.00 0.51 0.00 0.00 43.02 42.80 3dqs s PHE 305 CO 0.04 -0.16 0.35 0.08 0.70 0.00 0.00 175.22 176.23 3dqs s VAL 306 N 0.87 5.23 0.20 -0.44 1.01 -1.26 -0.32 120.40 125.68 3dqs s VAL 306 Ca -0.11 0.60 -0.30 0.00 0.00 0.00 0.00 61.98 62.18 3dqs s VAL 306 Cb -0.14 -3.68 -0.08 0.00 0.00 0.00 0.00 36.38 32.48 3dqs s VAL 306 CO -0.00 0.27 1.23 -0.76 0.00 0.00 0.00 175.10 175.84 3dqs s LEU 307 N 1.25 4.44 -0.03 3.92 1.43 -1.26 -4.95 118.68 123.48 3dqs s LEU 307 Ca 0.17 2.29 -0.30 0.00 -1.03 0.00 0.00 54.13 55.26 3dqs s LEU 307 Cb -0.14 -3.61 -0.07 0.00 0.03 0.00 0.00 46.19 42.40 3dqs s LEU 307 CO 0.07 -0.41 1.81 -2.84 0.23 0.00 0.00 176.35 175.21 3dqs s PRO 308 N -0.29 4.11 0.33 1.29 0.02 -1.26 -4.89 135.00 134.32 3dqs s PRO 308 Ca 0.53 2.35 0.09 0.00 0.02 0.00 0.00 61.00 64.00 3dqs s PRO 308 Cb -0.34 -4.08 0.99 0.00 0.02 0.00 0.00 34.50 31.09 3dqs s PRO 308 CO 0.38 -0.95 1.58 -1.35 -0.33 0.00 0.00 177.00 176.32 3dqs h PRO 309 N 10.24 0.02 0.00 5.54 0.11 -1.94 0.93 132.00 146.89 3dqs h PRO 309 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3dqs h PRO 309 Cb 1.21 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3dqs h PRO 309 CO 0.95 0.01 0.00 -0.85 -0.21 0.00 0.00 178.00 177.90 3dqs n GLU 310 N -5.39 0.02 0.02 1.05 0.00 -1.26 -1.71 120.64 113.36 3dqs n GLU 310 Ca 0.29 0.35 -0.01 0.00 0.00 0.00 0.00 57.16 57.79 3dqs n GLU 310 Cb 0.96 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 30.81 3dqs n GLU 310 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3dqs n LEU 311 N -1.47 0.77 -4.40 -1.84 4.32 0.32 -4.74 117.00 109.97 3dqs n LEU 311 Ca 0.02 0.34 -0.45 0.00 -0.02 0.00 0.00 56.01 55.90 3dqs n LEU 311 Cb 0.08 0.10 -0.03 0.00 -1.62 0.00 0.00 43.42 41.95 3dqs n LEU 311 CO 0.07 0.17 0.63 -0.69 -1.22 0.00 0.00 177.39 176.34 3dqs s VAL 312 N -2.91 4.88 0.12 4.08 1.01 -0.69 -4.81 120.40 122.09 3dqs s VAL 312 Ca -0.04 -1.38 -0.30 0.00 0.00 0.00 0.00 61.98 60.26 3dqs s VAL 312 Cb 0.09 -4.60 -0.07 0.00 0.00 0.00 0.00 36.38 31.80 3dqs s VAL 312 CO 0.82 -1.26 1.21 -0.22 0.00 0.00 0.00 175.10 175.65 3dqs s LEU 313 N 2.38 4.41 0.14 3.92 2.96 -1.26 -4.99 118.68 126.24 3dqs s LEU 313 Ca 0.20 2.14 0.05 0.00 -0.22 0.00 0.00 54.13 56.31 3dqs s LEU 313 Cb -0.15 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 3dqs s LEU 313 CO -0.01 -0.44 -0.12 -1.61 -1.32 0.00 0.00 176.35 172.85 3dqs s GLU 314 N 0.45 1.07 -0.20 1.98 2.02 -1.26 -1.38 118.70 121.38 3dqs s GLU 314 Ca 0.56 -1.38 0.01 0.00 0.02 0.00 0.00 54.97 54.18 3dqs s GLU 314 Cb -0.32 -0.79 0.04 0.00 0.10 0.00 0.00 34.13 33.17 3dqs s GLU 314 CO 0.33 0.13 -0.11 0.08 0.02 0.00 0.00 175.26 175.70 3dqs s VAL 315 N -2.81 1.67 0.20 2.63 1.01 0.53 -4.89 120.40 118.74 3dqs s VAL 315 Ca 0.14 -1.02 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 3dqs s VAL 315 Cb -0.01 -1.73 -0.08 0.00 0.00 0.00 0.00 36.38 34.55 3dqs s VAL 315 CO 0.02 0.18 1.27 -2.84 0.00 0.00 0.00 175.10 173.73 3dqs s PRO 316 N 1.38 4.43 -0.15 2.72 0.02 -1.26 -1.98 135.00 140.16 3dqs s PRO 316 Ca -0.01 1.99 -0.17 0.00 0.02 0.00 0.00 61.00 62.83 3dqs s PRO 316 Cb -0.16 -3.21 -0.04 0.00 0.02 0.00 0.00 34.50 31.11 3dqs s PRO 316 CO -0.08 -0.19 0.43 -0.51 -0.33 0.00 0.00 177.00 176.32 3dqs s LEU 317 N -0.19 4.24 0.20 -5.54 1.43 0.33 -4.85 118.68 114.29 3dqs s LEU 317 Ca 0.55 0.70 0.00 0.00 -1.03 0.00 0.00 54.13 54.36 3dqs s LEU 317 Cb -0.35 -2.61 -0.05 0.00 0.03 0.00 0.00 46.19 43.22 3dqs s LEU 317 CO 0.38 -0.01 0.07 -1.83 0.23 0.00 0.00 176.35 175.19 3dqs s GLU 318 N 0.78 1.18 -0.03 1.70 -1.05 -1.26 -4.12 118.70 115.91 3dqs s GLU 318 Ca 0.23 -1.60 0.02 0.00 -0.15 0.00 0.00 54.97 53.47 3dqs s GLU 318 Cb -0.15 -0.05 -0.03 0.00 -0.44 0.00 0.00 34.13 33.46 3dqs s GLU 318 CO 0.09 -0.26 -0.07 -1.58 0.95 0.00 0.00 175.26 174.39 3dqs s HIS 319 N -3.87 2.90 0.57 4.83 5.65 -1.26 -4.35 115.29 119.76 3dqs s HIS 319 Ca 0.31 -0.01 0.25 0.00 0.25 0.00 0.00 55.06 55.86 3dqs s HIS 319 Cb 0.07 -1.66 1.58 0.00 -1.18 0.00 0.00 32.58 31.39 3dqs s HIS 319 CO 0.08 0.35 2.15 -1.00 -0.65 0.00 0.00 174.74 175.67 3dqs h PRO 320 N 4.89 0.00 0.00 2.88 0.13 -1.92 -3.34 132.00 134.65 3dqs h PRO 320 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3dqs h PRO 320 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3dqs h PRO 320 CO 0.53 0.00 -0.31 0.25 -0.23 0.00 0.00 178.00 178.24 3dqs n THR 321 N -4.07 0.00 -3.16 1.56 -2.24 -1.26 -4.97 114.28 100.13 3dqs n THR 321 Ca -0.00 -0.04 -0.45 0.00 -2.27 0.00 0.00 64.05 61.29 3dqs n THR 321 Cb 0.22 0.35 -0.03 0.00 -2.10 0.00 0.00 70.33 68.76 3dqs n THR 321 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3dqs s LEU 322 N -1.09 5.82 0.37 3.22 1.43 -1.25 -4.93 118.68 122.24 3dqs s LEU 322 Ca 0.00 -1.97 0.12 0.00 -1.03 0.00 0.00 54.13 51.26 3dqs s LEU 322 Cb 0.00 -2.28 0.93 0.00 0.03 0.00 0.00 46.19 44.87 3dqs s LEU 322 CO 0.00 -0.92 1.82 -0.33 0.23 0.00 0.00 176.35 177.15 3dqs h GLU 323 N 8.67 0.55 0.00 1.70 5.08 -1.94 -1.70 114.58 126.95 3dqs h GLU 323 Ca -0.09 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3dqs h GLU 323 Cb 1.06 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.19 3dqs h GLU 323 CO 0.99 0.37 0.00 -2.67 -1.00 0.00 0.00 179.01 176.70 3dqs n TRP 324 N -4.61 0.62 0.03 4.33 4.27 -1.26 -3.68 117.44 117.14 3dqs n TRP 324 Ca 0.21 0.24 -0.10 0.00 -3.89 0.00 0.00 57.50 53.96 3dqs n TRP 324 Cb 0.64 -0.89 -0.04 0.00 -1.36 0.00 0.00 31.31 29.66 3dqs n TRP 324 CO 0.00 0.00 0.00 0.35 -2.29 0.00 0.00 177.69 175.75 3dqs h PHE 325 N 0.00 -0.25 -0.80 -2.67 3.57 -1.69 -1.30 116.94 113.80 3dqs h PHE 325 Ca 0.00 0.01 0.23 0.00 3.53 0.00 0.00 57.97 61.74 3dqs h PHE 325 Cb 0.34 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 3dqs h PHE 325 CO 0.00 -0.15 0.59 0.00 -2.23 0.00 0.00 178.31 176.51 3dqs h ALA 326 N 0.86 2.74 0.00 2.41 0.00 -1.71 0.11 119.26 123.67 3dqs h ALA 326 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3dqs h ALA 326 Cb 0.23 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3dqs h ALA 326 CO -0.14 -1.00 0.00 0.00 0.00 0.00 0.00 179.25 178.11 3dqs h ALA 327 N 1.57 1.00 0.00 0.00 0.00 -1.44 -1.38 119.26 119.01 3dqs h ALA 327 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3dqs h ALA 327 Cb 1.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.34 3dqs h ALA 327 CO -0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 3dqs n LEU 328 N -2.89 0.68 -2.09 0.00 4.77 0.38 -4.89 117.00 112.97 3dqs n LEU 328 Ca -0.01 0.69 -0.17 0.00 -0.03 0.00 0.00 56.01 56.49 3dqs n LEU 328 Cb 0.16 -0.62 0.01 0.00 -2.33 0.00 0.00 43.42 40.63 3dqs n LEU 328 CO 0.21 -0.64 -0.10 0.61 -1.33 0.00 0.00 177.39 176.13 3dqs n GLY 329 N -0.22 -0.26 3.87 -0.72 0.00 -0.52 -5.00 105.19 102.33 3dqs n GLY 329 Ca 0.01 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 3dqs n GLY 329 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dqs s LEU 330 N -4.90 4.11 0.18 0.99 1.43 -1.26 -5.00 118.68 114.22 3dqs s LEU 330 Ca 0.11 1.04 -0.23 0.00 -1.03 0.00 0.00 54.13 54.03 3dqs s LEU 330 Cb -0.05 -3.83 0.06 0.00 0.03 0.00 0.00 46.19 42.40 3dqs s LEU 330 CO 0.14 -0.14 0.66 0.00 0.23 0.00 0.00 176.35 177.24 3dqs s ARG 331 N -2.96 1.36 0.02 1.70 1.70 -1.26 -0.51 118.95 118.99 3dqs s ARG 331 Ca 0.50 -0.59 -0.14 0.00 -0.47 0.00 0.00 55.73 55.03 3dqs s ARG 331 Cb -0.11 0.57 0.02 0.00 -0.57 0.00 0.00 34.95 34.87 3dqs s ARG 331 CO 0.21 -0.61 0.31 -0.46 -1.08 0.00 0.00 175.30 173.67 3dqs s TRP 332 N -3.73 -0.14 0.52 5.89 -0.11 -0.84 -4.93 118.94 115.61 3dqs s TRP 332 Ca 0.04 0.11 -0.17 0.00 1.22 0.00 0.00 56.10 57.30 3dqs s TRP 332 Cb -0.02 0.09 -0.07 0.00 -1.50 0.00 0.00 33.47 31.97 3dqs s TRP 332 CO -0.07 -0.45 1.00 1.52 -4.62 0.00 0.00 176.95 174.32 3dqs s TYR 333 N -1.97 3.33 0.06 5.86 -0.85 -1.26 -0.34 117.35 122.17 3dqs s TYR 333 Ca -0.09 1.49 0.11 0.00 -0.52 0.00 0.00 57.07 58.06 3dqs s TYR 333 Cb -0.03 -2.85 0.05 0.00 0.38 0.00 0.00 41.96 39.51 3dqs s TYR 333 CO 0.00 -0.51 1.42 0.00 -1.52 0.00 0.00 175.55 174.95 3dqs h ALA 334 N 0.92 0.60 -2.65 9.51 0.00 -1.57 -3.46 119.26 122.61 3dqs h ALA 334 Ca -0.47 -0.66 -0.71 0.00 0.00 0.00 0.00 54.91 53.07 3dqs h ALA 334 Cb 1.19 -0.12 -0.22 0.00 0.00 0.00 0.00 17.79 18.64 3dqs h ALA 334 CO 0.61 0.91 -0.47 -1.17 0.00 0.00 0.00 179.25 179.12 3dqs s LEU 335 N -6.78 4.89 -0.47 0.00 2.96 -1.26 -4.52 118.68 113.50 3dqs s LEU 335 Ca 0.02 -0.91 -0.23 0.00 -0.22 0.00 0.00 54.13 52.79 3dqs s LEU 335 Cb 0.10 -2.10 0.03 0.00 0.50 0.00 0.00 46.19 44.72 3dqs s LEU 335 CO 0.77 -0.41 0.78 -2.16 -1.32 0.00 0.00 176.35 174.01 3dqs s PRO 336 N 1.62 3.35 -0.31 0.98 0.04 -1.26 -4.68 135.00 134.74 3dqs s PRO 336 Ca 0.04 -0.24 0.00 0.00 0.04 0.00 0.00 61.00 60.84 3dqs s PRO 336 Cb -0.19 -3.97 0.10 0.00 0.04 0.00 0.00 34.50 30.47 3dqs s PRO 336 CO 0.08 -1.17 0.08 0.00 0.04 0.00 0.00 177.00 176.03 3dqs s ALA 337 N 3.28 1.79 0.11 8.56 0.00 -1.26 -3.01 121.76 131.22 3dqs s ALA 337 Ca 0.28 -1.77 -0.31 0.00 0.00 0.00 0.00 51.96 50.17 3dqs s ALA 337 Cb -0.13 -1.65 -0.07 0.00 0.00 0.00 0.00 23.12 21.27 3dqs s ALA 337 CO 0.21 -1.62 1.24 0.08 0.00 0.00 0.00 175.76 175.67 3dqs s VAL 338 N 1.48 3.73 0.00 0.00 1.01 -0.02 -0.96 120.40 125.64 3dqs s VAL 338 Ca 0.09 1.30 0.00 0.00 0.00 0.00 0.00 61.98 63.36 3dqs s VAL 338 Cb -0.18 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.37 3dqs s VAL 338 CO -0.20 0.13 0.34 -1.54 0.00 0.00 0.00 175.10 173.83 3dqs n SER 339 N 3.51 0.63 -0.63 3.32 3.41 -0.06 -1.24 113.62 122.55 3dqs n SER 339 Ca 0.08 -1.06 0.06 0.00 -0.26 0.00 0.00 58.87 57.69 3dqs n SER 339 Cb 0.45 0.00 0.17 0.00 -0.26 0.00 0.00 64.21 64.57 3dqs n SER 339 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3dqs n ASN 340 N -0.03 3.11 -4.94 4.04 2.04 -1.23 -4.43 115.26 113.82 3dqs n ASN 340 Ca 0.00 -2.35 -0.26 0.00 -0.44 0.00 0.00 54.58 51.53 3dqs n ASN 340 Cb 0.13 -0.31 -0.03 0.00 -2.53 0.00 0.00 39.78 37.04 3dqs n ASN 340 CO 0.00 0.00 0.00 -0.04 -0.44 0.00 0.00 177.26 176.78 3dqs s MET 341 N -1.63 3.49 -0.11 -3.83 -1.94 -1.26 -4.37 119.30 109.64 3dqs s MET 341 Ca 0.27 -0.44 -0.12 0.00 -1.71 0.00 0.00 55.69 53.70 3dqs s MET 341 Cb 0.18 -2.86 -0.05 0.00 2.01 0.00 0.00 34.83 34.11 3dqs s MET 341 CO 0.12 0.42 0.26 -1.17 -0.01 0.00 0.00 175.02 174.63 3dqs s LEU 342 N -3.41 4.34 -0.25 -0.03 0.20 0.29 -4.37 118.68 115.46 3dqs s LEU 342 Ca 0.37 0.58 -0.09 0.00 0.69 0.00 0.00 54.13 55.68 3dqs s LEU 342 Cb -0.11 -2.30 -0.04 0.00 -0.43 0.00 0.00 46.19 43.31 3dqs s LEU 342 CO 0.29 0.25 0.12 -0.22 -0.29 0.00 0.00 176.35 176.51 3dqs s LEU 343 N -0.35 3.80 -0.18 -0.68 2.96 -0.35 -0.55 118.68 123.33 3dqs s LEU 343 Ca 0.17 -0.04 -0.03 0.00 -0.22 0.00 0.00 54.13 54.00 3dqs s LEU 343 Cb -0.13 -2.02 -0.02 0.00 0.50 0.00 0.00 46.19 44.52 3dqs s LEU 343 CO 0.06 0.01 -0.06 -0.70 -1.32 0.00 0.00 176.35 174.34 3dqs s GLU 344 N 1.36 3.47 -0.05 1.98 -6.30 0.23 -0.29 118.70 119.10 3dqs s GLU 344 Ca 0.06 -0.60 -0.01 0.00 -2.50 0.00 0.00 54.97 51.92 3dqs s GLU 344 Cb -0.15 -2.91 0.03 0.00 0.00 0.00 0.00 34.13 31.10 3dqs s GLU 344 CO 0.06 0.02 0.02 0.42 0.02 0.00 0.00 175.26 175.79 3dqs s ILE 345 N 0.91 0.21 -1.35 -3.70 1.01 -0.44 -1.72 121.20 116.12 3dqs s ILE 345 Ca -0.01 0.19 -0.10 0.00 0.00 0.00 0.00 60.65 60.74 3dqs s ILE 345 Cb -0.15 -0.38 0.07 0.00 0.01 0.00 0.00 42.46 42.01 3dqs s ILE 345 CO 0.01 0.22 0.55 0.61 0.00 0.00 0.00 174.94 176.33 3dqs n GLY 346 N 4.98 -0.49 1.96 6.18 0.00 -1.26 -0.25 105.19 116.31 3dqs n GLY 346 Ca -0.10 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3dqs n GLY 346 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dqs n GLY 347 N -1.25 2.79 3.83 -0.02 0.00 -1.26 -3.35 105.19 105.93 3dqs n GLY 347 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 3dqs n GLY 347 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dqs s LEU 348 N 0.00 3.92 -0.13 0.99 1.43 0.66 -5.04 118.68 120.50 3dqs s LEU 348 Ca 0.00 1.53 0.01 0.00 -1.03 0.00 0.00 54.13 54.64 3dqs s LEU 348 Cb 0.00 -4.38 0.02 0.00 0.03 0.00 0.00 46.19 41.85 3dqs s LEU 348 CO 0.00 -0.36 -0.16 -1.61 0.23 0.00 0.00 176.35 174.45 3dqs s GLU 349 N -3.30 2.39 -0.55 1.70 2.02 -1.26 -1.33 118.70 118.37 3dqs s GLU 349 Ca 0.59 -0.61 -0.08 0.00 0.02 0.00 0.00 54.97 54.89 3dqs s GLU 349 Cb -0.10 -2.07 0.14 0.00 0.10 0.00 0.00 34.13 32.21 3dqs s GLU 349 CO 0.18 -0.12 0.41 -0.06 0.02 0.00 0.00 175.26 175.69 3dqs s PHE 350 N 1.14 3.48 -0.39 1.61 0.08 0.60 0.32 117.98 124.83 3dqs s PHE 350 Ca -0.02 -2.14 0.24 0.00 0.12 0.00 0.00 56.93 55.13 3dqs s PHE 350 Cb -0.14 -3.45 1.05 0.00 -0.57 0.00 0.00 43.02 39.91 3dqs s PHE 350 CO -0.05 -0.96 1.72 -1.13 -0.10 0.00 0.00 175.22 174.70 3dqs n SER 351 N 4.42 0.69 -3.72 1.36 3.41 -1.26 -1.21 113.62 117.30 3dqs n SER 351 Ca -0.01 0.70 -0.28 0.00 -0.26 0.00 0.00 58.87 59.02 3dqs n SER 351 Cb 0.41 -0.83 -0.16 0.00 -0.26 0.00 0.00 64.21 63.36 3dqs n SER 351 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dqs s ALA 352 N -3.39 1.01 -0.49 7.33 0.00 -1.24 -4.68 121.76 120.29 3dqs s ALA 352 Ca 0.03 -0.76 0.06 0.00 0.00 0.00 0.00 51.96 51.29 3dqs s ALA 352 Cb 0.09 -1.21 0.23 0.00 0.00 0.00 0.00 23.12 22.23 3dqs s ALA 352 CO 0.36 -1.22 0.87 0.00 0.00 0.00 0.00 175.76 175.76 3dqs n ALA 353 N 5.05 -1.47 -1.78 0.00 0.00 -1.26 -1.33 120.51 119.72 3dqs n ALA 353 Ca -0.08 -1.36 -0.41 0.00 0.00 0.00 0.00 53.44 51.59 3dqs n ALA 353 Cb 0.47 -1.36 -0.01 0.00 0.00 0.00 0.00 19.45 18.55 3dqs n ALA 353 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3dqs s PRO 354 N 0.72 4.20 0.07 0.00 0.04 -1.12 -4.71 135.00 134.19 3dqs s PRO 354 Ca 0.32 2.44 0.04 0.00 0.04 0.00 0.00 61.00 63.84 3dqs s PRO 354 Cb 0.20 -3.02 -0.03 0.00 0.04 0.00 0.00 34.50 31.69 3dqs s PRO 354 CO -0.22 -0.43 -0.12 -0.59 0.04 0.00 0.00 177.00 175.68 3dqs s PHE 355 N -0.92 1.04 0.05 0.56 -0.12 -0.37 -1.55 117.98 116.67 3dqs s PHE 355 Ca 0.53 -0.51 -0.08 0.00 -0.05 0.00 0.00 56.93 56.82 3dqs s PHE 355 Cb -0.44 -0.59 -0.00 0.00 -0.63 0.00 0.00 43.02 41.36 3dqs s PHE 355 CO 0.57 0.01 0.17 -1.54 -0.05 0.00 0.00 175.22 174.38 3dqs s SER 356 N -1.84 0.08 0.00 1.98 1.04 0.29 -0.84 113.70 114.41 3dqs s SER 356 Ca -0.03 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 55.93 3dqs s SER 356 Cb -0.09 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.32 3dqs s SER 356 CO 0.01 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.25 3dqs n GLY 357 N 0.52 4.72 3.07 7.32 0.00 -1.16 -1.33 105.19 118.32 3dqs n GLY 357 Ca -0.18 -0.63 -0.09 0.00 0.00 0.00 0.00 46.02 45.12 3dqs n GLY 357 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3dqs s TRP 358 N 3.58 0.54 0.65 1.61 -2.14 -1.26 -4.46 118.94 117.46 3dqs s TRP 358 Ca 0.00 -0.79 -0.16 0.00 2.66 0.00 0.00 56.10 57.81 3dqs s TRP 358 Cb 0.00 -0.36 -0.00 0.00 -3.10 0.00 0.00 33.47 30.01 3dqs s TRP 358 CO 0.00 -0.23 1.13 0.71 -2.66 0.00 0.00 176.95 175.90 3dqs s TYR 359 N -2.72 2.55 -0.17 1.66 2.02 -1.26 -4.93 117.35 114.49 3dqs s TYR 359 Ca -0.02 1.56 -0.05 0.00 -0.37 0.00 0.00 57.07 58.19 3dqs s TYR 359 Cb -0.01 -3.23 -0.03 0.00 -0.40 0.00 0.00 41.96 38.29 3dqs s TYR 359 CO -0.05 -1.80 0.00 1.41 -1.57 0.00 0.00 175.55 173.54 3dqs s MET 360 N -3.93 3.75 0.44 -0.62 -2.45 -1.26 -1.94 119.30 113.29 3dqs s MET 360 Ca 0.69 -0.47 0.27 0.00 -1.25 0.00 0.00 55.69 54.94 3dqs s MET 360 Cb -0.22 -3.04 1.33 0.00 1.25 0.00 0.00 34.83 34.14 3dqs s MET 360 CO 0.40 0.20 1.71 0.66 1.05 0.00 0.00 175.02 179.03 3dqs h SER 361 N 6.87 0.28 0.46 1.11 4.64 -0.93 -1.56 113.55 124.43 3dqs h SER 361 Ca -0.34 0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.05 3dqs h SER 361 Cb 1.18 0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3dqs h SER 361 CO 0.65 -0.04 -0.12 0.71 -0.87 0.00 0.00 176.83 177.16 3dqs h THR 362 N 0.19 0.49 -0.75 2.95 1.35 -1.95 0.07 112.91 115.26 3dqs h THR 362 Ca 0.70 -0.57 -0.00 0.00 -0.55 0.00 0.00 66.41 65.98 3dqs h THR 362 Cb 2.16 1.39 -0.04 0.00 -1.73 0.00 0.00 68.15 69.93 3dqs h THR 362 CO -0.29 0.11 0.46 -0.33 -0.25 0.00 0.00 175.52 175.22 3dqs h GLU 363 N 0.00 1.01 0.00 4.72 5.08 -1.69 -0.48 114.58 123.22 3dqs h GLU 363 Ca -0.00 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 3dqs h GLU 363 Cb 0.38 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 3dqs h GLU 363 CO 0.02 0.71 -0.23 0.82 -1.00 0.00 0.00 179.01 179.32 3dqs h ILE 364 N 1.02 0.16 -0.63 3.13 2.04 -1.62 -0.38 117.51 121.23 3dqs h ILE 364 Ca 0.27 -1.15 0.02 0.00 1.00 0.00 0.00 64.86 65.00 3dqs h ILE 364 Cb -0.05 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.33 3dqs h ILE 364 CO -0.05 0.06 0.42 1.23 0.00 0.00 0.00 178.15 179.80 3dqs h GLY 365 N -1.00 0.88 0.00 5.37 0.00 -1.08 -1.09 103.07 106.15 3dqs h GLY 365 Ca -0.02 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 46.96 3dqs h GLY 365 CO -0.01 0.30 -1.05 2.41 0.00 0.00 0.00 176.54 178.19 3dqs n THR 366 N -4.45 1.47 0.04 4.70 -1.04 -0.24 -4.16 114.28 110.60 3dqs n THR 366 Ca 0.07 0.12 -0.10 0.00 -2.04 0.00 0.00 64.05 62.10 3dqs n THR 366 Cb 0.08 -2.24 -0.07 0.00 -1.82 0.00 0.00 70.33 66.28 3dqs n THR 366 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 3dqs h ARG 367 N -0.91 -0.19 -0.22 -2.82 2.47 -1.45 -1.61 114.38 109.66 3dqs h ARG 367 Ca -0.06 0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.65 3dqs h ARG 367 Cb 0.97 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 29.32 3dqs h ARG 367 CO -0.04 0.23 0.06 -0.91 0.56 0.00 0.00 179.97 179.88 3dqs h ASN 368 N -0.91 0.32 0.64 7.04 2.35 -1.06 -2.01 115.58 121.95 3dqs h ASN 368 Ca -0.02 -0.21 -0.27 0.00 -0.55 0.00 0.00 56.30 55.25 3dqs h ASN 368 Cb 0.51 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.76 3dqs h ASN 368 CO 0.03 0.45 -1.44 -0.07 -1.65 0.00 0.00 177.43 174.75 3dqs h LEU 369 N 0.18 0.11 0.00 1.61 3.38 -1.37 -2.61 115.31 116.60 3dqs h LEU 369 Ca 0.07 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3dqs h LEU 369 Cb 0.25 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3dqs h LEU 369 CO -0.00 1.14 -1.24 0.00 0.09 0.00 0.00 178.44 178.43 3dqs n ASP 371 N -1.71 2.08 -0.18 0.00 10.43 -0.75 -4.56 116.55 121.86 3dqs n ASP 371 Ca 0.01 1.05 -0.01 0.00 2.57 0.00 0.00 54.79 58.41 3dqs n ASP 371 Cb 0.35 -1.46 0.23 0.00 1.84 0.00 0.00 41.12 42.08 3dqs n ASP 371 CO 0.00 0.00 0.00 -0.65 -1.07 0.00 0.00 177.20 175.48 3dqs h PRO 372 N 1.74 0.92 -0.66 -0.24 0.11 -1.94 -2.30 132.00 129.62 3dqs h PRO 372 Ca -0.47 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.54 3dqs h PRO 372 Cb 1.31 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3dqs h PRO 372 CO 0.58 0.68 0.00 -2.39 -0.21 0.00 0.00 178.00 176.66 3dqs n HIS 373 N -4.37 1.13 0.00 0.65 1.44 -1.26 -4.58 115.22 108.23 3dqs n HIS 373 Ca 0.06 -0.42 0.00 0.00 -2.01 0.00 0.00 57.72 55.36 3dqs n HIS 373 Cb 0.11 -0.26 0.00 0.00 0.12 0.00 0.00 29.99 29.95 3dqs n HIS 373 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3dqs n ARG 374 N 0.53 1.92 0.29 -1.40 5.12 -0.89 -4.32 116.66 117.91 3dqs n ARG 374 Ca 0.17 0.00 0.17 0.00 -1.93 0.00 0.00 57.85 56.26 3dqs n ARG 374 Cb 0.72 0.00 0.82 0.00 -1.16 0.00 0.00 32.46 32.84 3dqs n ARG 374 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 3dqs h TYR 375 N 0.00 0.00 -6.64 -1.55 -1.99 -1.63 -3.43 116.97 101.73 3dqs h TYR 375 Ca 0.00 0.00 -0.53 0.00 2.00 0.00 0.00 58.73 60.20 3dqs h TYR 375 Cb 0.00 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 38.67 3dqs h TYR 375 CO 0.00 0.05 -0.93 -1.71 -0.00 0.00 0.00 178.16 175.56 3dqs n ASN 376 N -3.24 -1.45 -0.63 3.88 5.15 -0.81 -4.88 115.26 113.27 3dqs n ASN 376 Ca -0.01 -1.11 0.11 0.00 -0.60 0.00 0.00 54.58 52.97 3dqs n ASN 376 Cb 0.24 -2.59 0.36 0.00 -0.53 0.00 0.00 39.78 37.25 3dqs n ASN 376 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 3dqs n ILE 377 N -4.50 0.23 0.04 -1.44 -5.35 -0.36 -4.54 119.36 103.45 3dqs n ILE 377 Ca -0.25 -0.39 -0.12 0.00 -0.27 0.00 0.00 62.75 61.72 3dqs n ILE 377 Cb 0.66 0.47 -0.05 0.00 -1.74 0.00 0.00 39.64 38.98 3dqs n ILE 377 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 3dqs h LEU 378 N 2.53 -1.01 -0.88 7.28 5.85 -1.86 -1.57 115.31 125.64 3dqs h LEU 378 Ca 0.00 0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.87 3dqs h LEU 378 Cb 0.55 0.41 -0.05 0.00 0.37 0.00 0.00 40.66 41.95 3dqs h LEU 378 CO 0.00 -0.39 0.58 -0.08 -0.34 0.00 0.00 178.44 178.21 3dqs h GLU 379 N -0.46 1.13 -0.25 1.25 4.81 -1.98 0.39 114.58 119.46 3dqs h GLU 379 Ca 0.07 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3dqs h GLU 379 Cb 0.57 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 3dqs h GLU 379 CO -0.30 0.75 0.15 -0.44 -0.73 0.00 0.00 179.01 178.44 3dqs h ASP 380 N 1.17 0.31 -0.10 1.04 3.32 -1.78 -0.98 116.42 119.40 3dqs h ASP 380 Ca 0.33 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.24 3dqs h ASP 380 Cb -0.09 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 3dqs h ASP 380 CO -0.08 0.28 -0.19 0.58 -1.72 0.00 0.00 179.24 178.11 3dqs h VAL 381 N 0.31 1.25 -0.40 -1.35 2.07 -0.96 -1.63 116.25 115.54 3dqs h VAL 381 Ca 0.09 -1.14 -0.05 0.00 0.82 0.00 0.00 66.70 66.43 3dqs h VAL 381 Cb 0.03 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3dqs h VAL 381 CO -0.02 0.37 0.07 0.00 0.02 0.00 0.00 177.57 178.01 3dqs h ALA 382 N 1.36 0.53 -0.58 1.67 0.00 -0.56 -1.24 119.26 120.44 3dqs h ALA 382 Ca 0.07 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 3dqs h ALA 382 Cb 0.58 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3dqs h ALA 382 CO 0.04 0.23 -0.03 0.28 0.00 0.00 0.00 179.25 179.78 3dqs h VAL 383 N 0.51 1.26 0.00 0.00 2.07 -1.01 0.34 116.25 119.42 3dqs h VAL 383 Ca 0.12 -1.17 -0.03 0.00 0.82 0.00 0.00 66.70 66.45 3dqs h VAL 383 Cb 0.35 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3dqs h VAL 383 CO 0.01 0.42 -0.14 0.00 0.02 0.00 0.00 177.57 177.87 3dqs n MET 385 N -3.87 1.69 -3.75 0.00 2.81 -0.49 -4.93 117.12 108.58 3dqs n MET 385 Ca -0.02 -1.01 -0.27 0.00 -1.81 0.00 0.00 57.70 54.59 3dqs n MET 385 Cb 0.24 -1.47 0.02 0.00 -0.71 0.00 0.00 33.22 31.30 3dqs n MET 385 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3dqs n ASP 386 N 0.23 -2.97 -4.96 7.83 4.64 0.14 -4.97 116.55 116.48 3dqs n ASP 386 Ca 0.18 -0.96 -0.22 0.00 -1.38 0.00 0.00 54.79 52.42 3dqs n ASP 386 Cb 0.36 -3.51 -0.00 0.00 -1.04 0.00 0.00 41.12 36.93 3dqs n ASP 386 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3dqs s LEU 387 N -6.62 3.91 -0.88 -2.67 1.43 -0.04 -5.01 118.68 108.81 3dqs s LEU 387 Ca 0.23 0.14 -0.23 0.00 -1.03 0.00 0.00 54.13 53.24 3dqs s LEU 387 Cb -0.08 -3.02 0.06 0.00 0.03 0.00 0.00 46.19 43.18 3dqs s LEU 387 CO 0.85 -0.45 1.27 -0.62 0.23 0.00 0.00 176.35 177.63 3dqs s ASP 388 N -4.14 6.39 -0.00 2.29 -1.08 -1.26 -4.76 116.67 114.11 3dqs s ASP 388 Ca 0.44 -1.23 0.05 0.00 -0.52 0.00 0.00 52.55 51.28 3dqs s ASP 388 Cb -0.10 -2.51 0.14 0.00 -1.46 0.00 0.00 42.92 38.99 3dqs s ASP 388 CO 0.34 -1.50 1.09 0.35 0.52 0.00 0.00 175.17 175.97 3dqs n THR 389 N 6.35 0.22 0.09 1.71 -2.24 -1.26 -3.92 114.28 115.23 3dqs n THR 389 Ca 0.18 -0.21 -0.08 0.00 -2.27 0.00 0.00 64.05 61.67 3dqs n THR 389 Cb 0.49 0.07 -0.00 0.00 -2.10 0.00 0.00 70.33 68.79 3dqs n THR 389 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3dqs h ARG 390 N 0.88 0.19 -4.57 -0.78 3.08 -2.04 -3.46 114.38 107.68 3dqs h ARG 390 Ca 0.00 -0.21 -0.27 0.00 0.07 0.00 0.00 59.98 59.58 3dqs h ARG 390 Cb 0.23 0.06 -0.21 0.00 0.08 0.00 0.00 29.97 30.14 3dqs h ARG 390 CO 0.01 0.94 -0.73 0.95 -1.07 0.00 0.00 179.97 180.07 3dqs s THR 391 N -3.22 0.55 0.25 2.04 -4.23 -1.25 -5.03 115.64 104.75 3dqs s THR 391 Ca -0.03 -1.16 0.05 0.00 -1.18 0.00 0.00 61.69 59.37 3dqs s THR 391 Cb 0.10 -0.71 -0.02 0.00 1.34 0.00 0.00 72.50 73.21 3dqs s THR 391 CO 0.83 -0.43 1.59 0.71 -0.54 0.00 0.00 174.62 176.78 3dqs h THR 392 N 4.35 1.37 0.00 3.99 1.35 -1.89 -3.19 112.91 118.90 3dqs h THR 392 Ca -0.36 -1.89 0.00 0.00 -0.55 0.00 0.00 66.41 63.61 3dqs h THR 392 Cb 1.20 1.95 0.00 0.00 -1.73 0.00 0.00 68.15 69.56 3dqs h THR 392 CO 0.43 0.56 0.00 -1.54 -0.25 0.00 0.00 175.52 174.72 3dqs n SER 393 N -3.90 0.43 0.01 5.36 3.41 -1.26 -0.50 113.62 117.18 3dqs n SER 393 Ca -0.02 0.70 0.14 0.00 -0.26 0.00 0.00 58.87 59.43 3dqs n SER 393 Cb 0.59 -0.76 0.59 0.00 -0.26 0.00 0.00 64.21 64.37 3dqs n SER 393 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3dqs n SER 394 N -2.08 0.11 -2.62 4.04 3.41 -1.20 -4.91 113.62 110.36 3dqs n SER 394 Ca -0.01 0.51 -0.21 0.00 -0.26 0.00 0.00 58.87 58.90 3dqs n SER 394 Cb 0.03 -0.54 0.01 0.00 -0.26 0.00 0.00 64.21 63.45 3dqs n SER 394 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3dqs n LEU 395 N -1.60 -2.28 -0.13 1.04 4.77 0.35 -4.88 117.00 114.26 3dqs n LEU 395 Ca 0.07 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 3dqs n LEU 395 Cb 0.35 -2.92 0.28 0.00 -2.33 0.00 0.00 43.42 38.80 3dqs n LEU 395 CO 0.27 -0.01 1.14 4.11 -1.33 0.00 0.00 177.39 181.57 3dqs h TRP 396 N -0.63 0.80 -0.27 -1.77 5.08 -1.83 -0.68 115.95 116.65 3dqs h TRP 396 Ca -0.50 -0.01 -0.01 0.00 1.08 0.00 0.00 58.89 59.44 3dqs h TRP 396 Cb 1.36 -0.26 -0.01 0.00 -3.00 0.00 0.00 29.16 27.25 3dqs h TRP 396 CO 0.53 0.56 0.12 0.87 -1.28 0.00 0.00 178.44 179.24 3dqs h LYS 397 N 0.83 0.39 -0.54 0.12 1.57 -1.89 -0.46 116.57 116.58 3dqs h LYS 397 Ca 0.21 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 3dqs h LYS 397 Cb 0.03 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 3dqs h LYS 397 CO -0.03 0.40 0.30 -0.44 -0.57 0.00 0.00 179.45 179.10 3dqs h ASP 398 N 0.29 0.67 -0.25 0.86 5.19 -1.86 -0.72 116.42 120.61 3dqs h ASP 398 Ca 0.09 -0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 3dqs h ASP 398 Cb 0.14 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.47 3dqs h ASP 398 CO -0.01 0.57 0.12 0.11 -3.12 0.00 0.00 179.24 176.91 3dqs h LYS 399 N 0.73 0.36 -0.40 3.56 1.57 -0.91 -2.13 116.57 119.35 3dqs h LYS 399 Ca 0.19 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 3dqs h LYS 399 Cb 0.04 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 3dqs h LYS 399 CO -0.03 0.36 0.08 0.00 -0.57 0.00 0.00 179.45 179.30 3dqs h ALA 400 N 0.98 0.52 -0.58 3.86 0.00 -0.95 -2.82 119.26 120.28 3dqs h ALA 400 Ca 0.09 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 54.89 3dqs h ALA 400 Cb 0.12 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 3dqs h ALA 400 CO -0.01 0.21 0.19 0.00 0.00 0.00 0.00 179.25 179.65 3dqs h ALA 401 N 0.94 0.73 -0.79 0.00 0.00 -1.02 -0.99 119.26 118.12 3dqs h ALA 401 Ca 0.12 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3dqs h ALA 401 Cb 0.34 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3dqs h ALA 401 CO 0.00 -0.22 0.44 0.28 0.00 0.00 0.00 179.25 179.75 3dqs h VAL 402 N 0.36 1.24 -0.21 0.00 2.07 -1.24 -1.36 116.25 117.11 3dqs h VAL 402 Ca 0.29 -0.58 -0.09 0.00 0.82 0.00 0.00 66.70 67.14 3dqs h VAL 402 Cb 0.37 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 3dqs h VAL 402 CO -0.31 0.26 -0.27 -0.33 0.02 0.00 0.00 177.57 176.93 3dqs h GLU 403 N 1.10 0.40 -0.37 1.57 4.39 -1.08 -0.22 114.58 120.37 3dqs h GLU 403 Ca 0.28 -0.15 -0.08 0.00 0.34 0.00 0.00 59.36 59.75 3dqs h GLU 403 Cb 0.03 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3dqs h GLU 403 CO -0.05 0.65 -0.08 0.82 -1.16 0.00 0.00 179.01 179.20 3dqs h ILE 404 N 0.36 1.27 -0.17 3.13 2.04 -0.73 0.11 117.51 123.52 3dqs h ILE 404 Ca 0.05 -1.14 -0.08 0.00 1.00 0.00 0.00 64.86 64.69 3dqs h ILE 404 Cb 0.67 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 3dqs h ILE 404 CO 0.05 0.38 -0.25 0.78 0.00 0.00 0.00 178.15 179.11 3dqs h ASN 405 N 0.50 0.31 -0.27 1.72 4.21 -1.09 -1.88 115.58 119.09 3dqs h ASN 405 Ca 0.09 -0.10 -0.06 0.00 1.21 0.00 0.00 56.30 57.45 3dqs h ASN 405 Cb 0.58 -0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 37.69 3dqs h ASN 405 CO 0.03 0.57 -0.05 0.25 -1.29 0.00 0.00 177.43 176.94 3dqs h LEU 406 N 0.28 0.51 -0.95 1.61 5.85 -0.55 -2.58 115.31 119.49 3dqs h LEU 406 Ca 0.05 -0.35 0.08 0.00 0.84 0.00 0.00 57.88 58.50 3dqs h LEU 406 Cb 0.59 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.41 3dqs h LEU 406 CO 0.04 0.74 0.59 0.00 -0.34 0.00 0.00 178.44 179.48 3dqs h ALA 407 N 0.79 1.35 0.02 1.25 0.00 -0.43 -0.90 119.26 121.33 3dqs h ALA 407 Ca 0.07 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3dqs h ALA 407 Cb 0.51 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3dqs h ALA 407 CO 0.02 0.30 -0.01 0.28 0.00 0.00 0.00 179.25 179.85 3dqs h VAL 408 N 1.03 1.07 -0.30 0.00 2.07 -1.14 -0.06 116.25 118.92 3dqs h VAL 408 Ca 0.43 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.67 3dqs h VAL 408 Cb 0.28 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 3dqs h VAL 408 CO -0.21 0.07 0.19 -0.07 0.02 0.00 0.00 177.57 177.57 3dqs h LEU 409 N -0.15 0.35 0.27 2.57 3.38 -1.18 -0.83 115.31 119.72 3dqs h LEU 409 Ca -0.00 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3dqs h LEU 409 Cb 0.14 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3dqs h LEU 409 CO 0.01 0.29 -0.36 -0.74 0.09 0.00 0.00 178.44 177.72 3dqs h HIS 410 N 0.39 -0.99 -0.04 1.13 2.76 -1.08 -0.54 115.15 116.78 3dqs h HIS 410 Ca 0.11 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.32 3dqs h HIS 410 Cb -0.01 0.40 -0.03 0.00 1.55 0.00 0.00 27.41 29.32 3dqs h HIS 410 CO -0.05 -0.49 -0.13 0.77 -1.30 0.00 0.00 177.93 176.73 3dqs h SER 411 N -0.69 -0.40 -0.75 3.26 0.02 -0.86 0.26 113.55 114.39 3dqs h SER 411 Ca -0.01 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 3dqs h SER 411 Cb 0.66 0.18 -0.04 0.00 0.14 0.00 0.00 62.40 63.34 3dqs h SER 411 CO -0.12 -0.18 0.43 -0.26 -1.14 0.00 0.00 176.83 175.55 3dqs h PHE 412 N -0.20 1.02 -0.37 3.45 0.04 -1.10 0.19 116.94 119.96 3dqs h PHE 412 Ca 0.06 -0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.73 3dqs h PHE 412 Cb 0.29 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 38.09 3dqs h PHE 412 CO -0.21 0.70 -0.15 1.96 -0.60 0.00 0.00 178.31 180.01 3dqs h GLN 413 N 1.05 0.67 -0.21 1.51 4.20 -0.48 -0.68 115.11 121.18 3dqs h GLN 413 Ca 0.27 -0.23 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 3dqs h GLN 413 Cb 0.00 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3dqs h GLN 413 CO -0.05 0.79 -0.08 1.25 -0.67 0.00 0.00 178.83 180.08 3dqs h LEU 414 N 0.61 0.43 0.00 1.46 5.85 0.51 -2.61 115.31 121.57 3dqs h LEU 414 Ca 0.10 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.43 3dqs h LEU 414 Cb 0.60 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.51 3dqs h LEU 414 CO 0.04 0.73 0.00 0.00 -0.34 0.00 0.00 178.44 178.87 3dqs n ALA 415 N -2.39 2.41 -3.83 1.25 0.00 0.58 -4.89 120.51 113.64 3dqs n ALA 415 Ca -0.05 -0.11 -0.28 0.00 0.00 0.00 0.00 53.44 53.01 3dqs n ALA 415 Cb 0.31 -1.29 0.01 0.00 0.00 0.00 0.00 19.45 18.48 3dqs n ALA 415 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3dqs n LYS 416 N -0.84 -2.64 -4.94 0.00 5.02 -0.46 -4.97 118.16 109.33 3dqs n LYS 416 Ca 0.13 0.44 -0.30 0.00 -2.02 0.00 0.00 58.31 56.56 3dqs n LYS 416 Cb 0.06 -4.40 -0.17 0.00 -0.02 0.00 0.00 35.03 30.50 3dqs n LYS 416 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3dqs s VAL 417 N -3.73 1.80 0.19 -0.18 1.01 -0.39 -4.46 120.40 114.64 3dqs s VAL 417 Ca 0.19 -0.86 -0.33 0.00 0.00 0.00 0.00 61.98 60.99 3dqs s VAL 417 Cb -0.07 -1.58 -0.15 0.00 0.00 0.00 0.00 36.38 34.59 3dqs s VAL 417 CO 0.87 0.50 1.33 0.41 0.00 0.00 0.00 175.10 178.21 3dqs n THR 418 N 3.72 0.74 -3.52 3.92 -1.04 0.03 -4.45 114.28 113.68 3dqs n THR 418 Ca -0.20 -0.19 -0.16 0.00 -2.04 0.00 0.00 64.05 61.46 3dqs n THR 418 Cb 0.52 -1.19 -0.06 0.00 -1.82 0.00 0.00 70.33 67.79 3dqs n THR 418 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3dqs s ILE 419 N 0.04 0.00 -0.04 12.58 2.07 -1.26 -4.52 121.20 130.08 3dqs s ILE 419 Ca 0.73 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 60.00 3dqs s ILE 419 Cb -0.75 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 40.84 3dqs s ILE 419 CO 0.49 0.00 -0.12 0.54 -1.91 0.00 0.00 174.94 173.94 3dqs s VAL 420 N -1.41 1.07 0.67 4.00 0.11 -0.82 -4.98 120.40 119.05 3dqs s VAL 420 Ca -0.09 -0.51 -0.11 0.00 -2.93 0.00 0.00 61.98 58.34 3dqs s VAL 420 Cb -0.00 -0.95 -0.01 0.00 -1.53 0.00 0.00 36.38 33.90 3dqs s VAL 420 CO 0.07 0.32 1.07 1.51 -3.33 0.00 0.00 175.10 174.74 3dqs s ASP 421 N 0.21 5.74 0.55 3.54 -4.77 -1.26 -0.24 116.67 120.44 3dqs s ASP 421 Ca -0.05 1.25 0.31 0.00 -3.30 0.00 0.00 52.55 50.76 3dqs s ASP 421 Cb -0.11 -2.14 1.58 0.00 -1.09 0.00 0.00 42.92 41.16 3dqs s ASP 421 CO 0.02 -1.17 2.10 1.12 0.70 0.00 0.00 175.17 177.94 3dqs h HIS 422 N -0.53 0.00 0.00 2.11 2.07 -1.97 -0.75 115.15 116.08 3dqs h HIS 422 Ca -0.45 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.07 3dqs h HIS 422 Cb 1.23 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.21 3dqs h HIS 422 CO 0.56 0.08 -0.01 0.45 -3.07 0.00 0.00 177.93 175.94 3dqs h HIS 423 N 0.00 0.01 -0.51 6.12 3.86 -1.97 -2.28 115.15 120.38 3dqs h HIS 423 Ca -0.00 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3dqs h HIS 423 Cb 0.33 -0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.77 3dqs h HIS 423 CO 0.00 0.86 0.32 0.00 0.86 0.00 0.00 177.93 179.97 3dqs h ALA 424 N 0.15 0.65 -0.33 2.45 0.00 -1.92 -1.28 119.26 118.98 3dqs h ALA 424 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3dqs h ALA 424 Cb 0.86 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3dqs h ALA 424 CO 0.00 0.12 0.21 0.00 0.00 0.00 0.00 179.25 179.58 3dqs h ALA 425 N 1.17 0.41 -0.11 0.00 0.00 -1.22 -1.77 119.26 117.75 3dqs h ALA 425 Ca 0.19 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 3dqs h ALA 425 Cb -0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3dqs h ALA 425 CO -0.04 -0.11 -0.43 1.79 0.00 0.00 0.00 179.25 180.47 3dqs h THR 426 N 0.44 1.32 -0.69 0.00 1.35 -1.25 -1.49 112.91 112.58 3dqs h THR 426 Ca 0.12 -1.56 -0.06 0.00 -0.55 0.00 0.00 66.41 64.35 3dqs h THR 426 Cb -0.03 1.71 -0.03 0.00 -1.73 0.00 0.00 68.15 68.07 3dqs h THR 426 CO -0.02 0.47 0.18 0.58 -0.25 0.00 0.00 175.52 176.47 3dqs h VAL 427 N 0.21 1.26 -0.11 6.82 2.07 -0.95 -1.54 116.25 124.01 3dqs h VAL 427 Ca 0.02 -0.94 -0.11 0.00 0.82 0.00 0.00 66.70 66.48 3dqs h VAL 427 Cb 0.84 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3dqs h VAL 427 CO 0.07 0.36 -0.43 0.77 0.02 0.00 0.00 177.57 178.36 3dqs h SER 428 N 1.04 0.27 -0.30 0.57 4.64 -1.01 -2.76 113.55 116.00 3dqs h SER 428 Ca 0.22 -0.12 -0.10 0.00 -0.47 0.00 0.00 61.79 61.32 3dqs h SER 428 Cb 0.35 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 3dqs h SER 428 CO -0.00 0.67 -0.15 0.15 -0.87 0.00 0.00 176.83 176.63 3dqs h PHE 429 N 0.21 0.82 -0.91 4.77 3.57 -0.63 -0.46 116.94 124.31 3dqs h PHE 429 Ca 0.02 -0.16 -0.02 0.00 3.53 0.00 0.00 57.97 61.34 3dqs h PHE 429 Cb 0.85 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.34 3dqs h PHE 429 CO 0.02 0.85 0.50 0.52 -2.23 0.00 0.00 178.31 177.97 3dqs h MET 430 N 0.66 1.27 -0.41 1.11 2.86 -1.06 0.11 114.93 119.47 3dqs h MET 430 Ca 0.11 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 3dqs h MET 430 Cb 0.63 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 3dqs h MET 430 CO 0.04 0.92 0.15 -0.22 1.06 0.00 0.00 176.91 178.87 3dqs h LYS 431 N 1.27 0.62 -0.76 1.72 1.63 -1.17 -2.08 116.57 117.80 3dqs h LYS 431 Ca 0.32 -0.12 0.05 0.00 -0.85 0.00 0.00 60.65 60.05 3dqs h LYS 431 Cb 0.02 -0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 31.50 3dqs h LYS 431 CO -0.05 0.59 0.46 1.25 -3.45 0.00 0.00 179.45 178.25 3dqs h HIS 432 N 0.51 0.86 -0.75 1.91 2.76 -0.19 0.90 115.15 121.15 3dqs h HIS 432 Ca 0.13 0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.36 3dqs h HIS 432 Cb 0.21 -0.28 -0.05 0.00 1.55 0.00 0.00 27.41 28.85 3dqs h HIS 432 CO 0.00 0.45 0.47 -0.07 -1.30 0.00 0.00 177.93 177.49 3dqs h LEU 433 N 0.87 0.78 -0.34 0.26 3.38 -0.49 0.07 115.31 119.84 3dqs h LEU 433 Ca 0.32 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.24 3dqs h LEU 433 Cb 0.11 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3dqs h LEU 433 CO -0.15 0.54 0.01 -0.78 0.09 0.00 0.00 178.44 178.15 3dqs h ASP 434 N 0.92 0.58 -0.78 -0.43 1.82 -0.62 0.23 116.42 118.15 3dqs h ASP 434 Ca 0.30 -0.30 0.04 0.00 -0.39 0.00 0.00 57.03 56.68 3dqs h ASP 434 Cb 0.02 -0.15 -0.05 0.00 0.68 0.00 0.00 39.33 39.82 3dqs h ASP 434 CO -0.11 0.73 0.49 0.78 -1.61 0.00 0.00 179.24 179.52 3dqs h ASN 435 N 0.40 0.79 0.69 2.28 2.35 -0.40 -2.58 115.58 119.12 3dqs h ASN 435 Ca 0.10 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.71 3dqs h ASN 435 Cb 0.43 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 3dqs h ASN 435 CO 0.02 0.54 -0.69 -0.33 -1.65 0.00 0.00 177.43 175.31 3dqs h GLU 436 N 0.93 0.00 -0.48 0.81 4.39 -0.85 -1.35 114.58 118.04 3dqs h GLU 436 Ca 0.32 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.00 3dqs h GLU 436 Cb 0.06 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 3dqs h GLU 436 CO -0.13 0.69 0.21 0.37 -1.16 0.00 0.00 179.01 178.99 3dqs h GLN 437 N 0.00 0.70 -0.29 2.33 5.75 -0.57 0.15 115.11 123.18 3dqs h GLN 437 Ca -0.01 -0.11 -0.13 0.00 -0.15 0.00 0.00 58.65 58.25 3dqs h GLN 437 Cb 1.22 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 29.65 3dqs h GLN 437 CO 0.09 0.60 -0.31 0.87 -2.65 0.00 0.00 178.83 177.43 3dqs h LYS 438 N 0.62 0.72 -0.12 1.69 1.57 -1.39 -0.73 116.57 118.93 3dqs h LYS 438 Ca 0.16 -0.39 -0.15 0.00 -1.87 0.00 0.00 60.65 58.40 3dqs h LYS 438 Cb 0.15 0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.49 3dqs h LYS 438 CO -0.02 1.01 -0.53 0.00 -0.57 0.00 0.00 179.45 179.34 3dqs h ALA 439 N 0.70 0.23 0.00 3.86 0.00 -1.13 -3.40 119.26 119.52 3dqs h ALA 439 Ca 0.04 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3dqs h ALA 439 Cb 0.89 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3dqs h ALA 439 CO 0.08 0.43 0.00 0.54 0.00 0.00 0.00 179.25 180.29 3dqs n ARG 440 N -4.19 -0.10 -0.91 0.00 1.74 0.49 -5.02 116.66 108.66 3dqs n ARG 440 Ca -0.08 -0.26 0.00 0.00 -0.77 0.00 0.00 57.85 56.75 3dqs n ARG 440 Cb 0.61 -0.73 0.00 0.00 -1.02 0.00 0.00 32.46 31.32 3dqs n ARG 440 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dqs n GLY 441 N 0.06 0.45 0.00 -0.13 0.00 -0.28 -4.19 105.19 101.09 3dqs n GLY 441 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.11 3dqs n GLY 441 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dqs n GLY 442 N -2.91 -2.44 3.36 -0.02 0.00 -1.18 -1.35 105.19 100.65 3dqs n GLY 442 Ca 0.00 -1.26 0.02 0.00 0.00 0.00 0.00 46.02 44.78 3dqs n GLY 442 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dqs s PRO 444 N 2.85 4.30 -0.12 0.00 0.04 -1.26 -4.53 135.00 136.28 3dqs s PRO 444 Ca 0.08 2.10 -0.11 0.00 0.04 0.00 0.00 61.00 63.11 3dqs s PRO 444 Cb -0.13 -3.28 0.03 0.00 0.04 0.00 0.00 34.50 31.16 3dqs s PRO 444 CO -0.19 -0.48 0.33 0.00 0.04 0.00 0.00 177.00 176.69 3dqs s ALA 445 N 1.28 -0.80 -0.52 8.56 0.00 -0.23 -4.22 121.76 125.83 3dqs s ALA 445 Ca 0.65 0.92 -0.15 0.00 0.00 0.00 0.00 51.96 53.38 3dqs s ALA 445 Cb -0.37 -0.53 0.12 0.00 0.00 0.00 0.00 23.12 22.34 3dqs s ALA 445 CO 0.30 -0.15 0.46 0.34 0.00 0.00 0.00 175.76 176.71 3dqs s ASP 446 N 0.17 6.10 0.22 0.00 3.68 -0.42 -3.59 116.67 122.84 3dqs s ASP 446 Ca -0.00 -1.75 -0.11 0.00 2.13 0.00 0.00 52.55 52.83 3dqs s ASP 446 Cb -0.02 -2.17 0.31 0.00 -1.45 0.00 0.00 42.92 39.59 3dqs s ASP 446 CO 0.00 -0.80 1.65 -0.25 0.13 0.00 0.00 175.17 175.90 3dqs h TRP 447 N 8.80 -0.12 -0.01 -5.34 7.01 -1.91 -1.09 115.95 123.29 3dqs h TRP 447 Ca -0.28 0.05 0.00 0.00 2.11 0.00 0.00 58.89 60.77 3dqs h TRP 447 Cb 1.10 0.16 -0.00 0.00 -2.10 0.00 0.00 29.16 28.31 3dqs h TRP 447 CO 0.70 -0.21 0.01 0.00 -2.79 0.00 0.00 178.44 176.15 3dqs h ALA 448 N 1.62 1.35 0.00 2.65 0.00 -1.93 -1.66 119.26 121.28 3dqs h ALA 448 Ca 0.34 -0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.89 3dqs h ALA 448 Cb 0.56 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 3dqs h ALA 448 CO -0.59 -0.01 -2.28 0.91 0.00 0.00 0.00 179.25 177.27 3dqs n TRP 449 N -3.57 0.17 -0.02 0.00 7.02 -0.51 -4.44 117.44 116.09 3dqs n TRP 449 Ca -0.03 0.06 -0.14 0.00 -1.02 0.00 0.00 57.50 56.37 3dqs n TRP 449 Cb 0.09 -1.03 -0.02 0.00 -2.42 0.00 0.00 31.31 27.93 3dqs n TRP 449 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 3dqs h ILE 450 N 0.00 1.30 -2.96 -0.99 1.08 -0.95 -3.43 117.51 111.57 3dqs h ILE 450 Ca -0.51 -1.90 -0.55 0.00 -0.39 0.00 0.00 64.86 61.51 3dqs h ILE 450 Cb 2.20 1.87 -0.02 0.00 -3.07 0.00 0.00 36.82 37.79 3dqs h ILE 450 CO 0.03 0.60 0.82 -0.69 -0.69 0.00 0.00 178.15 178.22 3dqs s VAL 451 N -3.88 4.07 0.75 1.67 1.01 -0.66 -4.96 120.40 118.41 3dqs s VAL 451 Ca -0.09 1.38 -0.15 0.00 0.00 0.00 0.00 61.98 63.12 3dqs s VAL 451 Cb 0.10 -3.89 0.03 0.00 0.00 0.00 0.00 36.38 32.61 3dqs s VAL 451 CO 0.88 -0.04 1.02 -2.65 0.00 0.00 0.00 175.10 174.30 3dqs n PRO 452 N 5.75 0.42 0.00 2.72 -0.02 -1.26 -4.92 135.00 137.69 3dqs n PRO 452 Ca 0.13 0.21 0.07 0.00 -2.02 0.00 0.00 63.50 61.89 3dqs n PRO 452 Cb 0.45 -2.27 0.33 0.00 -0.02 0.00 0.00 33.50 31.98 3dqs n PRO 452 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3dqs n PRO 453 N -2.20 0.04 -4.18 0.52 -0.04 -1.26 -4.16 135.00 123.71 3dqs n PRO 453 Ca 0.13 0.23 -0.13 0.00 -0.04 0.00 0.00 63.50 63.69 3dqs n PRO 453 Cb 0.50 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.35 3dqs n PRO 453 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3dqs s ILE 454 N -2.93 0.88 -1.37 0.52 -4.36 -1.26 -4.85 121.20 107.84 3dqs s ILE 454 Ca 0.08 -1.76 -0.12 0.00 -0.26 0.00 0.00 60.65 58.59 3dqs s ILE 454 Cb 0.10 -1.49 0.10 0.00 1.25 0.00 0.00 42.46 42.41 3dqs s ILE 454 CO 0.27 -0.67 0.57 -1.20 0.24 0.00 0.00 174.94 174.14 3dqs n SER 455 N 0.31 -3.54 -0.20 4.36 7.64 -1.26 -4.87 113.62 116.05 3dqs n SER 455 Ca -0.14 -0.54 -0.12 0.00 1.01 0.00 0.00 58.87 59.08 3dqs n SER 455 Cb 0.59 -2.93 -0.09 0.00 -1.01 0.00 0.00 64.21 60.77 3dqs n SER 455 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3dqs h GLY 456 N -1.11 -1.10 1.57 0.23 0.00 -1.89 -1.52 103.07 99.26 3dqs h GLY 456 Ca -0.46 0.77 0.00 0.00 0.00 0.00 0.00 47.33 47.63 3dqs h GLY 456 CO 0.59 -0.15 0.00 -1.14 0.00 0.00 0.00 176.54 175.84 3dqs n SER 457 N -5.06 0.00 -0.02 0.19 3.41 -1.26 -1.88 113.62 109.00 3dqs n SER 457 Ca -0.02 -0.01 0.14 0.00 -0.26 0.00 0.00 58.87 58.73 3dqs n SER 457 Cb 0.28 -0.29 0.69 0.00 -0.26 0.00 0.00 64.21 64.63 3dqs n SER 457 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3dqs n LEU 458 N -1.29 0.11 -4.74 1.04 4.77 -0.58 -4.78 117.00 111.54 3dqs n LEU 458 Ca 0.10 0.26 -0.30 0.00 -0.03 0.00 0.00 56.01 56.04 3dqs n LEU 458 Cb 0.17 -0.30 -0.07 0.00 -2.33 0.00 0.00 43.42 40.88 3dqs n LEU 458 CO 0.16 0.02 -0.29 0.42 -1.33 0.00 0.00 177.39 176.37 3dqs s THR 459 N -2.65 4.28 0.49 -5.08 -4.23 -0.79 -5.04 115.64 102.63 3dqs s THR 459 Ca 0.25 -0.92 0.15 0.00 -1.18 0.00 0.00 61.69 59.99 3dqs s THR 459 Cb 0.20 -3.07 0.25 0.00 1.34 0.00 0.00 72.50 71.22 3dqs s THR 459 CO 0.49 0.09 2.11 1.55 -0.54 0.00 0.00 174.62 178.32 3dqs h PRO 460 N 3.25 0.05 0.00 3.99 0.13 -1.86 -2.93 132.00 134.62 3dqs h PRO 460 Ca -0.47 -0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 3dqs h PRO 460 Cb 1.17 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 3dqs h PRO 460 CO 0.63 0.07 -0.17 -0.39 -0.23 0.00 0.00 178.00 177.91 3dqs h VAL 461 N 0.05 0.64 -0.61 1.56 -1.51 -1.89 -2.74 116.25 111.75 3dqs h VAL 461 Ca 0.01 -0.74 0.03 0.00 -1.23 0.00 0.00 66.70 64.77 3dqs h VAL 461 Cb 0.06 1.47 -0.03 0.00 -2.13 0.00 0.00 31.29 30.66 3dqs h VAL 461 CO 0.00 0.17 0.40 0.15 -1.23 0.00 0.00 177.57 177.06 3dqs h PHE 462 N 0.00 0.71 -0.43 5.19 3.57 -1.72 -2.04 116.94 122.22 3dqs h PHE 462 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3dqs h PHE 462 Cb 0.46 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.96 3dqs h PHE 462 CO 0.00 0.42 0.00 0.72 -2.23 0.00 0.00 178.31 177.22 3dqs n HIS 463 N -4.46 0.57 -3.87 0.41 8.25 -1.04 -4.84 115.22 110.25 3dqs n HIS 463 Ca 0.07 -0.29 -0.36 0.00 -0.26 0.00 0.00 57.72 56.89 3dqs n HIS 463 Cb 0.11 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.09 3dqs n HIS 463 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3dqs s GLN 464 N -1.43 3.52 0.47 -0.41 2.00 -0.77 -0.56 119.66 122.48 3dqs s GLN 464 Ca 0.30 -0.55 -0.22 0.00 -2.00 0.00 0.00 55.36 52.89 3dqs s GLN 464 Cb 0.15 -3.15 -0.08 0.00 0.80 0.00 0.00 33.01 30.74 3dqs s GLN 464 CO 0.20 -0.17 1.10 -1.21 -0.50 0.00 0.00 175.29 174.72 3dqs s GLU 465 N 1.48 3.78 0.06 1.67 2.02 -0.72 -5.00 118.70 121.98 3dqs s GLU 465 Ca 0.06 1.59 0.02 0.00 0.02 0.00 0.00 54.97 56.65 3dqs s GLU 465 Cb -0.15 -2.29 -0.03 0.00 0.10 0.00 0.00 34.13 31.77 3dqs s GLU 465 CO 0.00 -0.49 -0.07 -1.64 0.02 0.00 0.00 175.26 173.09 3dqs s MET 466 N -2.89 0.60 -0.11 1.61 -1.94 -1.26 -4.74 119.30 110.57 3dqs s MET 466 Ca 0.65 -0.94 0.01 0.00 -1.71 0.00 0.00 55.69 53.70 3dqs s MET 466 Cb -0.23 -0.18 -0.02 0.00 2.01 0.00 0.00 34.83 36.41 3dqs s MET 466 CO 0.28 0.01 -0.15 0.08 -0.01 0.00 0.00 175.02 175.23 3dqs s VAL 467 N -2.24 2.95 -0.10 -6.03 1.01 -1.26 -4.92 120.40 109.81 3dqs s VAL 467 Ca -0.03 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.25 3dqs s VAL 467 Cb -0.04 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 3dqs s VAL 467 CO -0.02 0.54 -0.16 0.21 0.00 0.00 0.00 175.10 175.67 3dqs s ASN 468 N 0.11 3.83 0.16 3.32 2.47 -1.24 -1.06 114.94 122.53 3dqs s ASN 468 Ca -0.07 -0.34 -0.24 0.00 0.42 0.00 0.00 52.86 52.63 3dqs s ASN 468 Cb -0.15 -1.35 0.06 0.00 -1.45 0.00 0.00 41.25 38.37 3dqs s ASN 468 CO 0.05 0.21 0.80 -0.72 -3.72 0.00 0.00 177.10 173.72 3dqs s TYR 469 N 0.06 -0.29 -0.32 0.43 -0.85 -1.26 -4.95 117.35 110.16 3dqs s TYR 469 Ca -0.06 -0.00 -0.13 0.00 -0.52 0.00 0.00 57.07 56.35 3dqs s TYR 469 Cb -0.15 0.62 -0.02 0.00 0.38 0.00 0.00 41.96 42.79 3dqs s TYR 469 CO 0.05 -0.88 0.27 0.42 -1.52 0.00 0.00 175.55 173.88 3dqs s ILE 470 N -3.53 5.26 0.17 -3.49 1.01 -1.26 -4.85 121.20 114.50 3dqs s ILE 470 Ca 0.08 -0.03 0.06 0.00 0.00 0.00 0.00 60.65 60.76 3dqs s ILE 470 Cb -0.02 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 3dqs s ILE 470 CO -0.02 0.03 0.06 -0.76 0.00 0.00 0.00 174.94 174.25 3dqs s LEU 471 N 1.82 3.52 0.03 2.97 1.43 -1.26 -3.92 118.68 123.26 3dqs s LEU 471 Ca 0.08 -0.28 0.08 0.00 -1.03 0.00 0.00 54.13 52.98 3dqs s LEU 471 Cb -0.17 -2.16 -0.02 0.00 0.03 0.00 0.00 46.19 43.87 3dqs s LEU 471 CO 0.11 0.08 -0.23 -0.55 0.23 0.00 0.00 176.35 175.99 3dqs s SER 472 N -2.99 2.77 0.51 2.29 0.15 -1.26 -4.13 113.70 111.05 3dqs s SER 472 Ca 0.29 -0.51 -0.21 0.00 0.70 0.00 0.00 55.95 56.22 3dqs s SER 472 Cb -0.10 -0.26 -0.08 0.00 -1.71 0.00 0.00 66.02 63.87 3dqs s SER 472 CO 0.21 0.23 0.89 -2.65 1.20 0.00 0.00 173.24 173.12 3dqs n PRO 473 N 2.03 1.02 -3.87 5.44 -0.02 -1.26 -5.02 135.00 133.31 3dqs n PRO 473 Ca -0.17 0.38 -0.10 0.00 -2.02 0.00 0.00 63.50 61.59 3dqs n PRO 473 Cb 0.52 -2.01 -0.08 0.00 -0.02 0.00 0.00 33.50 31.91 3dqs n PRO 473 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dqs s ALA 474 N -1.45 -0.27 -0.14 3.55 0.00 -0.70 -3.91 121.76 118.85 3dqs s ALA 474 Ca 0.69 -0.41 -0.07 0.00 0.00 0.00 0.00 51.96 52.17 3dqs s ALA 474 Cb -0.49 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 3dqs s ALA 474 CO 0.53 -0.38 0.11 -0.06 0.00 0.00 0.00 175.76 175.96 3dqs s PHE 475 N -2.84 3.47 0.13 0.00 0.40 -1.26 -0.60 117.98 117.28 3dqs s PHE 475 Ca -0.03 0.40 -0.04 0.00 -0.60 0.00 0.00 56.93 56.66 3dqs s PHE 475 Cb 0.00 -1.98 -0.03 0.00 0.51 0.00 0.00 43.02 41.53 3dqs s PHE 475 CO -0.05 0.55 0.12 -0.98 0.70 0.00 0.00 175.22 175.56 3dqs s ARG 476 N -0.59 0.94 0.58 0.44 1.70 0.29 -4.96 118.95 117.34 3dqs s ARG 476 Ca 0.12 -1.30 -0.13 0.00 -0.47 0.00 0.00 55.73 53.95 3dqs s ARG 476 Cb -0.12 0.28 -0.05 0.00 -0.57 0.00 0.00 34.95 34.49 3dqs s ARG 476 CO 0.02 -0.29 1.01 0.71 -1.08 0.00 0.00 175.30 175.67 3dqs s TYR 477 N -4.00 3.56 0.05 5.89 2.02 -1.26 -0.55 117.35 123.07 3dqs s TYR 477 Ca 0.19 1.34 -0.08 0.00 -0.37 0.00 0.00 57.07 58.15 3dqs s TYR 477 Cb 0.06 -2.74 -0.00 0.00 -0.40 0.00 0.00 41.96 38.88 3dqs s TYR 477 CO -0.01 -0.56 0.15 1.14 -1.57 0.00 0.00 175.55 174.70 3dqs s GLN 478 N -4.77 0.68 0.56 -0.62 -2.07 -1.26 -4.77 119.66 107.42 3dqs s GLN 478 Ca 0.56 -0.76 -0.20 0.00 -1.82 0.00 0.00 55.36 53.14 3dqs s GLN 478 Cb -0.11 0.28 -0.06 0.00 -1.09 0.00 0.00 33.01 32.03 3dqs s GLN 478 CO 0.46 -0.19 1.01 -2.30 -1.32 0.00 0.00 175.29 172.95 3dqs n PRO 479 N 0.54 1.07 -2.25 9.60 -0.02 -1.26 -4.93 135.00 137.76 3dqs n PRO 479 Ca -0.18 0.41 -0.42 0.00 -2.02 0.00 0.00 63.50 61.29 3dqs n PRO 479 Cb 0.60 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.86 3dqs n PRO 479 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3dqs s ASP 480 N -1.11 6.92 0.00 2.55 -0.00 -1.26 -4.88 116.67 118.89 3dqs s ASP 480 Ca 0.73 2.33 0.00 0.00 -0.00 0.00 0.00 52.55 55.61 3dqs s ASP 480 Cb -0.44 -2.60 0.00 0.00 -0.00 0.00 0.00 42.92 39.88 3dqs s ASP 480 CO 0.49 -0.52 0.12 -0.81 -0.00 0.00 0.00 175.17 174.45 3dqs n PRO 481 N 2.97 0.12 0.00 8.23 -0.04 -1.26 -5.23 135.00 139.79 3dqs n PRO 481 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 3dqs n PRO 481 Cb 0.43 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 32.89 3dqs n PRO 481 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79