#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3md3 s VAL 76 N 0.00 4.37 -0.14 1.55 1.01 -1.26 -1.58 120.40 124.35 3md3 s VAL 76 Ca 0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 61.98 61.75 3md3 s VAL 76 Cb 0.00 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 3md3 s VAL 76 CO 0.00 0.41 0.07 -0.76 0.00 0.00 0.00 175.10 174.82 3md3 s LEU 77 N 0.99 3.92 -0.03 3.92 1.43 -0.14 -1.73 118.68 127.05 3md3 s LEU 77 Ca 0.03 0.21 -0.21 0.00 -1.03 0.00 0.00 54.13 53.13 3md3 s LEU 77 Cb -0.14 -1.96 -0.05 0.00 0.03 0.00 0.00 46.19 44.07 3md3 s LEU 77 CO 0.03 0.30 0.61 -0.47 0.23 0.00 0.00 176.35 177.05 3md3 s TYR 78 N -0.38 3.64 -0.20 0.29 5.04 0.64 -1.54 117.35 124.85 3md3 s TYR 78 Ca 0.09 1.19 0.01 0.00 -2.44 0.00 0.00 57.07 55.93 3md3 s TYR 78 Cb -0.12 -2.65 0.03 0.00 0.35 0.00 0.00 41.96 39.57 3md3 s TYR 78 CO 0.02 0.27 -0.16 0.08 -1.34 0.00 0.00 175.55 174.42 3md3 s VAL 79 N 0.12 2.01 0.46 3.14 1.01 -0.13 -0.72 120.40 126.29 3md3 s VAL 79 Ca 0.32 -1.11 0.06 0.00 0.00 0.00 0.00 61.98 61.25 3md3 s VAL 79 Cb -0.18 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 3md3 s VAL 79 CO 0.17 0.34 0.24 -0.83 0.00 0.00 0.00 175.10 175.02 3md3 s GLY 80 N 1.26 2.40 -1.51 4.51 0.00 0.23 -0.82 107.32 113.39 3md3 s GLY 80 Ca 0.01 -1.69 -0.06 0.00 0.00 0.00 0.00 44.72 42.98 3md3 s GLY 80 CO -0.10 -1.93 0.72 -2.01 0.00 0.00 0.00 173.10 169.78 3md3 n ASN 81 N -1.41 -5.97 -4.69 1.64 4.05 -1.24 -1.93 115.26 105.71 3md3 n ASN 81 Ca -0.03 -0.36 -0.42 0.00 0.45 0.00 0.00 54.58 54.23 3md3 n ASN 81 Cb 0.64 -4.80 -0.03 0.00 1.23 0.00 0.00 39.78 36.82 3md3 n ASN 81 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3md3 s LEU 82 N -6.81 4.28 0.16 1.20 1.43 -0.77 -4.54 118.68 113.63 3md3 s LEU 82 Ca 0.37 1.68 -0.34 0.00 -1.03 0.00 0.00 54.13 54.82 3md3 s LEU 82 Cb -0.17 -3.56 -0.15 0.00 0.03 0.00 0.00 46.19 42.34 3md3 s LEU 82 CO 0.46 -0.48 1.40 -0.67 0.23 0.00 0.00 176.35 177.29 3md3 n ASP 83 N 4.90 2.31 0.15 2.29 4.64 -1.26 -0.79 116.55 128.79 3md3 n ASP 83 Ca 0.09 1.12 0.12 0.00 -1.38 0.00 0.00 54.79 54.74 3md3 n ASP 83 Cb 0.48 -1.32 0.55 0.00 -1.04 0.00 0.00 41.12 39.79 3md3 n ASP 83 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3md3 n LYS 84 N 2.58 0.18 0.07 -0.67 5.02 -1.26 -1.25 118.16 122.82 3md3 n LYS 84 Ca 0.16 0.53 0.13 0.00 -2.02 0.00 0.00 58.31 57.11 3md3 n LYS 84 Cb 0.26 -1.93 0.32 0.00 -0.02 0.00 0.00 35.03 33.65 3md3 n LYS 84 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3md3 n ALA 85 N -1.79 2.65 -2.13 7.82 0.00 -1.26 -4.85 120.51 120.96 3md3 n ALA 85 Ca 0.00 -0.15 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 3md3 n ALA 85 Cb 0.14 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.24 3md3 n ALA 85 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3md3 s ILE 86 N -3.11 3.44 0.56 0.00 1.01 -0.38 -5.02 121.20 117.70 3md3 s ILE 86 Ca 0.09 0.89 0.08 0.00 0.00 0.00 0.00 60.65 61.71 3md3 s ILE 86 Cb 0.14 -3.57 0.06 0.00 0.01 0.00 0.00 42.46 39.10 3md3 s ILE 86 CO 0.65 0.01 0.62 0.42 0.00 0.00 0.00 174.94 176.64 3md3 s THR 87 N 2.27 1.95 0.20 2.92 -4.23 -1.26 -4.98 115.64 112.51 3md3 s THR 87 Ca 0.67 -1.21 -0.10 0.00 -1.18 0.00 0.00 61.69 59.87 3md3 s THR 87 Cb -0.35 -2.17 0.14 0.00 1.34 0.00 0.00 72.50 71.46 3md3 s THR 87 CO 0.29 0.00 1.80 -0.08 -0.54 0.00 0.00 174.62 176.09 3md3 h GLU 88 N 0.44 1.05 -0.84 3.99 4.81 -1.98 -1.58 114.58 120.45 3md3 h GLU 88 Ca -0.33 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 58.72 3md3 h GLU 88 Cb 1.29 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 3md3 h GLU 88 CO 0.48 0.81 0.40 -0.44 -0.73 0.00 0.00 179.01 179.52 3md3 h ASP 89 N 1.02 1.11 -0.40 1.04 3.32 -1.99 0.02 116.42 120.55 3md3 h ASP 89 Ca 0.25 -0.14 -0.11 0.00 0.02 0.00 0.00 57.03 57.06 3md3 h ASP 89 Cb 0.09 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 3md3 h ASP 89 CO -0.04 0.94 -0.17 0.40 -1.72 0.00 0.00 179.24 178.66 3md3 h ILE 90 N 1.21 1.28 -0.92 0.35 2.04 -1.91 -2.67 117.51 116.88 3md3 h ILE 90 Ca 0.29 -1.29 0.03 0.00 1.00 0.00 0.00 64.86 64.88 3md3 h ILE 90 Cb 0.13 1.27 -0.05 0.00 -0.74 0.00 0.00 36.82 37.43 3md3 h ILE 90 CO -0.04 0.43 0.61 -0.07 0.00 0.00 0.00 178.15 179.08 3md3 h LEU 91 N 0.62 1.02 -0.65 1.44 3.38 -0.94 -2.83 115.31 117.35 3md3 h LEU 91 Ca 0.09 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 3md3 h LEU 91 Cb 0.71 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3md3 h LEU 91 CO 0.05 0.71 0.08 0.50 0.09 0.00 0.00 178.44 179.87 3md3 h LYS 92 N 1.19 1.09 0.00 1.13 3.64 -0.84 0.26 116.57 123.04 3md3 h LYS 92 Ca 0.36 -0.31 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 3md3 h LYS 92 Cb -0.04 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.66 3md3 h LYS 92 CO -0.10 1.02 -0.14 -0.56 -2.27 0.00 0.00 179.45 177.40 3md3 h GLN 93 N 1.01 0.00 0.00 1.90 3.07 -1.23 -1.51 115.11 118.34 3md3 h GLN 93 Ca 0.19 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.72 3md3 h GLN 93 Cb 0.48 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.00 3md3 h GLN 93 CO 0.02 0.14 -1.16 1.88 0.09 0.00 0.00 178.83 179.81 3md3 h TYR 94 N 0.00 0.00 0.00 0.06 -1.99 -1.40 -3.41 116.97 110.23 3md3 h TYR 94 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3md3 h TYR 94 Cb 0.57 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.30 3md3 h TYR 94 CO 0.00 1.44 0.00 1.19 -0.00 0.00 0.00 178.16 180.79 3md3 n PHE 95 N -4.45 0.00 0.31 4.88 3.01 0.07 -2.39 117.46 118.89 3md3 n PHE 95 Ca -0.30 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.26 3md3 n PHE 95 Cb 0.66 -0.47 0.48 0.00 -0.01 0.00 0.00 39.48 40.14 3md3 n PHE 95 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3md3 n GLN 96 N -1.47 0.15 0.27 -1.08 10.64 -0.57 -3.17 117.38 122.16 3md3 n GLN 96 Ca 0.07 0.48 0.15 0.00 -1.83 0.00 0.00 57.00 55.87 3md3 n GLN 96 Cb 0.29 -1.85 0.82 0.00 -0.86 0.00 0.00 30.24 28.64 3md3 n GLN 96 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.06 174.99 3md3 h VAL 97 N 0.00 0.00 0.00 -0.39 3.04 -1.74 -2.01 116.25 115.15 3md3 h VAL 97 Ca 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 66.70 65.63 3md3 h VAL 97 Cb 0.23 0.67 -0.01 0.00 -2.01 0.00 0.00 31.29 30.16 3md3 h VAL 97 CO 0.00 0.00 -2.03 0.61 -1.01 0.00 0.00 177.57 175.14 3md3 n GLY 98 N -1.20 -0.97 0.00 3.17 0.00 -1.19 -4.78 105.19 100.22 3md3 n GLY 98 Ca -0.02 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3md3 n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3md3 n GLY 99 N 1.38 0.30 3.72 -0.02 0.00 -0.76 -4.38 105.19 105.43 3md3 n GLY 99 Ca -0.08 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 3md3 n GLY 99 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3md3 s PRO 100 N -1.73 4.14 -0.22 1.61 0.02 -1.26 -4.58 135.00 132.97 3md3 s PRO 100 Ca 0.00 2.56 -0.13 0.00 0.02 0.00 0.00 61.00 63.45 3md3 s PRO 100 Cb 0.00 -3.09 -0.04 0.00 0.02 0.00 0.00 34.50 31.39 3md3 s PRO 100 CO 0.00 -0.73 0.28 0.42 -0.33 0.00 0.00 177.00 176.65 3md3 s ILE 101 N 1.17 5.28 0.07 2.83 1.01 -1.26 -3.59 121.20 126.70 3md3 s ILE 101 Ca 0.74 0.44 -0.08 0.00 0.00 0.00 0.00 60.65 61.75 3md3 s ILE 101 Cb -0.49 -3.62 -0.28 0.00 0.01 0.00 0.00 42.46 38.09 3md3 s ILE 101 CO 0.32 0.29 1.14 0.00 0.00 0.00 0.00 174.94 176.69 3md3 h ALA 102 N 7.46 0.07 -2.16 9.38 0.00 -0.80 -3.48 119.26 129.73 3md3 h ALA 102 Ca -0.37 -0.83 -0.06 0.00 0.00 0.00 0.00 54.91 53.65 3md3 h ALA 102 Cb 1.17 0.06 -0.21 0.00 0.00 0.00 0.00 17.79 18.80 3md3 h ALA 102 CO 0.69 0.84 0.06 1.21 0.00 0.00 0.00 179.25 182.04 3md3 s ASN 103 N -7.27 -0.65 -0.06 0.00 2.47 -1.08 -5.01 114.94 103.32 3md3 s ASN 103 Ca -0.06 1.17 0.04 0.00 0.42 0.00 0.00 52.86 54.43 3md3 s ASN 103 Cb 0.06 1.16 -0.00 0.00 -1.45 0.00 0.00 41.25 41.02 3md3 s ASN 103 CO 0.90 -0.29 -0.19 -0.63 -3.72 0.00 0.00 177.10 173.16 3md3 s ILE 104 N 0.04 1.64 -0.18 -5.21 -1.09 -1.26 -0.79 121.20 114.35 3md3 s ILE 104 Ca -0.02 -0.81 -0.03 0.00 -2.23 0.00 0.00 60.65 57.55 3md3 s ILE 104 Cb -0.04 -1.42 0.06 0.00 -1.58 0.00 0.00 42.46 39.49 3md3 s ILE 104 CO 0.02 0.47 0.05 -0.75 -1.23 0.00 0.00 174.94 173.50 3md3 s LYS 105 N 0.15 0.45 -0.11 2.79 2.47 -0.32 -5.00 119.74 120.17 3md3 s LYS 105 Ca -0.08 -0.29 -0.17 0.00 -1.56 0.00 0.00 55.97 53.87 3md3 s LYS 105 Cb -0.14 -1.97 -0.04 0.00 -1.46 0.00 0.00 37.83 34.22 3md3 s LYS 105 CO 0.04 -0.64 0.44 0.42 0.16 0.00 0.00 175.35 175.77 3md3 s ILE 106 N 1.96 5.18 -0.60 5.43 1.01 -1.26 -0.46 121.20 132.46 3md3 s ILE 106 Ca 0.00 0.88 -0.17 0.00 0.00 0.00 0.00 60.65 61.36 3md3 s ILE 106 Cb -0.17 -3.78 0.12 0.00 0.01 0.00 0.00 42.46 38.65 3md3 s ILE 106 CO -0.08 0.37 0.65 -0.04 0.00 0.00 0.00 174.94 175.83 3md3 s MET 107 N 0.39 3.08 -0.12 2.79 -1.94 0.15 -4.99 119.30 118.66 3md3 s MET 107 Ca 0.24 -1.57 -0.30 0.00 -1.71 0.00 0.00 55.69 52.36 3md3 s MET 107 Cb -0.15 -4.31 -0.02 0.00 2.01 0.00 0.00 34.83 32.36 3md3 s MET 107 CO 0.10 -1.45 1.11 0.42 -0.01 0.00 0.00 175.02 175.19 3md3 s ILE 108 N 2.09 4.52 0.04 2.53 -1.09 -1.26 -3.30 121.20 124.73 3md3 s ILE 108 Ca 0.09 1.82 -0.31 0.00 -2.23 0.00 0.00 60.65 60.03 3md3 s ILE 108 Cb -0.25 -4.17 -0.06 0.00 -1.58 0.00 0.00 42.46 36.40 3md3 s ILE 108 CO 0.03 -0.05 1.30 -0.62 -1.23 0.00 0.00 174.94 174.37 3md3 s ASP 109 N 1.36 6.95 0.00 3.58 -1.08 -1.26 -4.92 116.67 121.31 3md3 s ASP 109 Ca 0.51 2.09 0.09 0.00 -0.52 0.00 0.00 52.55 54.73 3md3 s ASP 109 Cb -0.20 -2.57 0.41 0.00 -1.46 0.00 0.00 42.92 39.09 3md3 s ASP 109 CO 0.17 -0.59 1.29 0.29 0.52 0.00 0.00 175.17 176.84 3md3 n LYS 110 N 4.46 1.32 0.00 4.34 4.76 -1.26 -4.98 118.16 126.79 3md3 n LYS 110 Ca 0.11 -0.49 0.00 0.00 -2.87 0.00 0.00 58.31 55.06 3md3 n LYS 110 Cb 0.45 -1.19 0.00 0.00 -1.84 0.00 0.00 35.03 32.45 3md3 n LYS 110 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3md3 n ASN 111 N -0.17 0.00 -0.53 4.39 5.03 -1.26 -5.27 115.26 117.45 3md3 n ASN 111 Ca 0.08 0.00 0.01 0.00 0.87 0.00 0.00 54.58 55.54 3md3 n ASN 111 Cb 0.14 0.00 -0.00 0.00 -1.02 0.00 0.00 39.78 38.89 3md3 n ASN 111 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72 3md3 n LYS 113 N -0.17 -0.11 0.00 3.52 2.85 -1.26 -5.12 118.16 117.88 3md3 n LYS 113 Ca 0.00 0.09 0.04 0.00 -1.05 0.00 0.00 58.31 57.38 3md3 n LYS 113 Cb 0.00 -0.61 -0.02 0.00 -0.65 0.00 0.00 35.03 33.75 3md3 n LYS 113 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 3md3 n ASN 114 N -3.08 0.75 -3.81 -5.58 5.15 -1.26 -5.01 115.26 102.42 3md3 n ASN 114 Ca -0.00 -0.87 -0.12 0.00 -0.60 0.00 0.00 54.58 52.98 3md3 n ASN 114 Cb 0.04 0.71 -0.09 0.00 -0.53 0.00 0.00 39.78 39.91 3md3 n ASN 114 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3md3 s VAL 115 N -1.41 0.07 0.62 3.44 -7.23 -1.26 -4.36 120.40 110.26 3md3 s VAL 115 Ca 0.05 -0.56 0.08 0.00 -1.81 0.00 0.00 61.98 59.73 3md3 s VAL 115 Cb 0.06 -0.54 0.11 0.00 0.56 0.00 0.00 36.38 36.57 3md3 s VAL 115 CO 0.25 -0.31 0.85 0.59 -0.31 0.00 0.00 175.10 176.17 3md3 n ASN 116 N 1.36 1.98 -4.07 4.85 3.02 0.03 -4.72 115.26 117.70 3md3 n ASN 116 Ca -0.22 -2.47 -0.09 0.00 -0.03 0.00 0.00 54.58 51.77 3md3 n ASN 116 Cb 0.56 -0.48 -0.09 0.00 -0.61 0.00 0.00 39.78 39.16 3md3 n ASN 116 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 3md3 s TYR 117 N -2.74 0.60 0.12 3.10 -0.85 -1.21 -1.85 117.35 114.53 3md3 s TYR 117 Ca 0.63 -1.04 -0.04 0.00 -0.52 0.00 0.00 57.07 56.10 3md3 s TYR 117 Cb -0.05 -0.34 -0.03 0.00 0.38 0.00 0.00 41.96 41.92 3md3 s TYR 117 CO 0.40 -0.50 0.12 0.00 -1.52 0.00 0.00 175.55 174.04 3md3 s ALA 118 N -3.97 0.46 -0.14 9.51 0.00 -0.00 0.31 121.76 127.93 3md3 s ALA 118 Ca 0.15 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 50.95 3md3 s ALA 118 Cb 0.07 0.72 0.01 0.00 0.00 0.00 0.00 23.12 23.92 3md3 s ALA 118 CO -0.04 -0.51 -0.20 -0.06 0.00 0.00 0.00 175.76 174.95 3md3 s PHE 119 N -3.98 2.53 -0.20 0.00 0.40 0.39 -0.95 117.98 116.16 3md3 s PHE 119 Ca 0.17 -1.32 -0.02 0.00 -0.60 0.00 0.00 56.93 55.17 3md3 s PHE 119 Cb 0.06 -1.75 0.00 0.00 0.51 0.00 0.00 43.02 41.85 3md3 s PHE 119 CO -0.02 -0.63 -0.11 0.08 0.70 0.00 0.00 175.22 175.24 3md3 s VAL 120 N 0.98 2.88 -0.14 -0.44 1.01 -0.59 -1.18 120.40 122.93 3md3 s VAL 120 Ca -0.04 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 3md3 s VAL 120 Cb -0.15 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 3md3 s VAL 120 CO -0.05 0.47 -0.11 -0.70 0.00 0.00 0.00 175.10 174.71 3md3 s GLU 121 N 1.32 3.43 0.42 2.72 2.12 0.03 -0.96 118.70 127.79 3md3 s GLU 121 Ca 0.04 -0.65 0.08 0.00 0.36 0.00 0.00 54.97 54.79 3md3 s GLU 121 Cb -0.14 -2.70 -0.02 0.00 0.26 0.00 0.00 34.13 31.54 3md3 s GLU 121 CO -0.06 0.20 0.37 0.71 -0.54 0.00 0.00 175.26 175.94 3md3 s TYR 122 N 0.40 2.64 0.03 5.30 2.02 -0.61 -0.11 117.35 127.02 3md3 s TYR 122 Ca -0.09 -0.52 0.10 0.00 -0.37 0.00 0.00 57.07 56.19 3md3 s TYR 122 Cb -0.16 -2.15 -0.14 0.00 -0.40 0.00 0.00 41.96 39.12 3md3 s TYR 122 CO 0.05 -0.13 1.29 0.45 -1.57 0.00 0.00 175.55 175.64 3md3 h HIS 123 N 1.03 0.00 -4.15 2.71 3.86 -1.89 -3.44 115.15 113.27 3md3 h HIS 123 Ca -0.41 0.00 -0.48 0.00 -1.16 0.00 0.00 60.37 58.32 3md3 h HIS 123 Cb 1.27 0.00 -0.27 0.00 1.06 0.00 0.00 27.41 29.46 3md3 h HIS 123 CO 0.54 0.86 -0.81 -0.65 0.86 0.00 0.00 177.93 178.73 3md3 s GLN 124 N -2.78 1.11 0.36 2.45 -0.21 -1.26 -5.04 119.66 114.30 3md3 s GLN 124 Ca 0.01 -0.64 0.03 0.00 0.02 0.00 0.00 55.36 54.79 3md3 s GLN 124 Cb 0.09 -1.10 0.68 0.00 1.00 0.00 0.00 33.01 33.68 3md3 s GLN 124 CO 0.80 0.29 2.01 1.03 -2.12 0.00 0.00 175.29 177.31 3md3 h SER 125 N 5.41 0.68 -0.87 5.90 0.87 -1.92 -2.41 113.55 121.22 3md3 h SER 125 Ca -0.36 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.17 3md3 h SER 125 Cb 1.17 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.92 3md3 h SER 125 CO 0.47 0.49 0.51 -0.74 -0.53 0.00 0.00 176.83 177.03 3md3 h HIS 126 N 0.81 1.16 -0.22 2.24 6.17 -1.97 -2.32 115.15 121.01 3md3 h HIS 126 Ca 0.23 -0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.29 3md3 h HIS 126 Cb -0.06 -0.38 -0.01 0.00 2.52 0.00 0.00 27.41 29.48 3md3 h HIS 126 CO -0.00 0.79 0.11 -0.44 0.71 0.00 0.00 177.93 179.10 3md3 h ASP 127 N 1.20 0.29 -0.85 3.26 5.19 -1.64 -2.65 116.42 121.22 3md3 h ASP 127 Ca 0.31 -0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.60 3md3 h ASP 127 Cb -0.02 -0.07 -0.04 0.00 0.18 0.00 0.00 39.33 39.37 3md3 h ASP 127 CO -0.06 0.31 0.50 0.00 -3.12 0.00 0.00 179.24 176.87 3md3 h ALA 128 N 0.99 1.26 -0.80 3.45 0.00 -1.36 -2.55 119.26 120.24 3md3 h ALA 128 Ca 0.08 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3md3 h ALA 128 Cb 0.10 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 3md3 h ALA 128 CO -0.01 0.62 0.32 -0.97 0.00 0.00 0.00 179.25 179.21 3md3 h ASN 129 N 1.19 1.10 -0.21 0.00 -1.24 -1.30 -0.83 115.58 114.29 3md3 h ASN 129 Ca 0.31 -0.17 0.02 0.00 0.71 0.00 0.00 56.30 57.16 3md3 h ASN 129 Cb -0.02 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 38.73 3md3 h ASN 129 CO -0.05 0.97 0.09 0.40 -1.29 0.00 0.00 177.43 177.55 3md3 h ILE 130 N 1.16 0.98 -0.60 2.57 2.04 -1.10 0.45 117.51 123.00 3md3 h ILE 130 Ca 0.27 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 66.04 3md3 h ILE 130 Cb 0.21 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 3md3 h ILE 130 CO -0.02 0.04 0.31 0.00 0.00 0.00 0.00 178.15 178.48 3md3 h ALA 131 N 1.11 0.77 0.81 1.87 0.00 -1.15 0.99 119.26 123.66 3md3 h ALA 131 Ca 0.09 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3md3 h ALA 131 Cb 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3md3 h ALA 131 CO -0.07 0.31 -0.42 1.25 0.00 0.00 0.00 179.25 180.32 3md3 h LEU 132 N 0.82 -1.02 -0.73 0.00 6.46 -1.02 -0.46 115.31 119.36 3md3 h LEU 132 Ca 0.21 0.04 0.14 0.00 -0.12 0.00 0.00 57.88 58.16 3md3 h LEU 132 Cb 0.08 0.28 -0.14 0.00 -0.73 0.00 0.00 40.66 40.15 3md3 h LEU 132 CO -0.03 -0.69 -0.21 1.56 -0.62 0.00 0.00 178.44 178.44 3md3 h GLN 133 N -1.13 -0.02 0.04 1.25 7.50 -0.70 -1.28 115.11 120.77 3md3 h GLN 133 Ca -0.11 0.00 -0.21 0.00 0.50 0.00 0.00 58.65 58.84 3md3 h GLN 133 Cb 0.88 0.01 0.02 0.00 0.05 0.00 0.00 27.48 28.44 3md3 h GLN 133 CO 0.16 -0.02 -0.83 1.15 -1.50 0.00 0.00 178.83 177.79 3md3 h THR 134 N -0.02 1.38 0.00 -0.54 2.02 -0.75 -3.38 112.91 111.62 3md3 h THR 134 Ca 0.34 -2.24 0.00 0.00 0.77 0.00 0.00 66.41 65.28 3md3 h THR 134 Cb 0.55 2.65 0.00 0.00 -1.74 0.00 0.00 68.15 69.61 3md3 h THR 134 CO -0.76 0.66 -1.72 0.18 0.37 0.00 0.00 175.52 174.25 3md3 n LEU 135 N -4.06 0.24 -4.70 2.58 4.77 -0.19 -4.94 117.00 110.71 3md3 n LEU 135 Ca -0.12 -0.12 -0.42 0.00 -0.03 0.00 0.00 56.01 55.32 3md3 n LEU 135 Cb 0.79 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.85 3md3 n LEU 135 CO 0.51 0.06 1.39 0.21 -1.33 0.00 0.00 177.39 178.23 3md3 s ASN 136 N -4.07 6.49 0.00 -1.43 2.47 -0.49 -2.42 114.94 115.49 3md3 s ASN 136 Ca -0.04 2.67 0.00 0.00 0.42 0.00 0.00 52.86 55.91 3md3 s ASN 136 Cb 0.14 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.37 3md3 s ASN 136 CO 0.87 -0.94 0.00 0.61 -3.72 0.00 0.00 177.10 173.92 3md3 n GLY 137 N 4.08 0.50 3.42 1.21 0.00 0.34 -5.02 105.19 109.73 3md3 n GLY 137 Ca 0.16 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 45.00 3md3 n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3md3 s LYS 138 N -2.65 1.89 -0.47 1.61 1.02 -1.02 -4.73 119.74 115.39 3md3 s LYS 138 Ca 0.00 -1.08 -0.28 0.00 0.02 0.00 0.00 55.97 54.63 3md3 s LYS 138 Cb 0.00 -2.09 -0.00 0.00 -0.52 0.00 0.00 37.83 35.21 3md3 s LYS 138 CO 0.00 0.52 1.59 -0.65 -0.92 0.00 0.00 175.35 175.88 3md3 s GLN 139 N -1.54 3.27 -0.45 1.68 -0.21 -1.26 -1.13 119.66 120.03 3md3 s GLN 139 Ca 0.14 0.86 -0.14 0.00 0.02 0.00 0.00 55.36 56.24 3md3 s GLN 139 Cb -0.10 -4.16 0.06 0.00 1.00 0.00 0.00 33.01 29.81 3md3 s GLN 139 CO 0.05 -1.95 0.34 0.42 -2.12 0.00 0.00 175.29 172.03 3md3 s ILE 140 N 6.61 5.00 0.00 1.08 1.01 -1.14 -4.95 121.20 128.81 3md3 s ILE 140 Ca 0.64 -1.06 0.00 0.00 0.00 0.00 0.00 60.65 60.23 3md3 s ILE 140 Cb -0.15 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.37 3md3 s ILE 140 CO 0.29 -0.50 0.00 -0.62 0.00 0.00 0.00 174.94 174.10 3md3 n GLU 141 N 5.13 0.00 0.01 2.79 1.02 -1.26 -3.78 120.64 124.54 3md3 n GLU 141 Ca -0.12 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.89 3md3 n GLU 141 Cb 0.44 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.72 3md3 n GLU 141 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 3md3 h ASN 142 N 0.00 0.17 -3.25 1.62 4.21 -1.97 -3.47 115.58 112.89 3md3 h ASN 142 Ca 0.00 -0.32 -0.64 0.00 1.21 0.00 0.00 56.30 56.55 3md3 h ASN 142 Cb 0.00 -0.06 -0.12 0.00 -1.12 0.00 0.00 38.32 37.03 3md3 h ASN 142 CO 0.00 1.28 -0.66 0.20 -1.29 0.00 0.00 177.43 176.96 3md3 s ASN 143 N -6.53 5.01 0.07 5.81 -0.87 -1.25 -5.06 114.94 112.12 3md3 s ASN 143 Ca -0.09 -0.21 -0.24 0.00 -1.57 0.00 0.00 52.86 50.76 3md3 s ASN 143 Cb 0.08 -1.18 -0.06 0.00 -0.02 0.00 0.00 41.25 40.06 3md3 s ASN 143 CO 0.82 0.16 0.72 0.27 -2.57 0.00 0.00 177.10 176.50 3md3 s ILE 144 N -1.39 4.67 0.07 0.60 -4.36 -1.26 -2.89 121.20 116.63 3md3 s ILE 144 Ca 0.26 1.55 -0.23 0.00 -0.26 0.00 0.00 60.65 61.97 3md3 s ILE 144 Cb -0.11 -4.07 -0.06 0.00 1.25 0.00 0.00 42.46 39.46 3md3 s ILE 144 CO 0.19 0.43 0.71 -0.69 0.24 0.00 0.00 174.94 175.81 3md3 s VAL 145 N -0.44 4.67 -0.27 8.37 1.01 -0.28 -4.77 120.40 128.69 3md3 s VAL 145 Ca 0.36 1.51 -0.02 0.00 0.00 0.00 0.00 61.98 63.83 3md3 s VAL 145 Cb -0.21 -4.05 0.03 0.00 0.00 0.00 0.00 36.38 32.15 3md3 s VAL 145 CO 0.23 0.44 -0.03 -0.54 0.00 0.00 0.00 175.10 175.20 3md3 s LYS 146 N -0.51 2.70 -0.13 2.72 3.01 -0.82 -0.51 119.74 126.22 3md3 s LYS 146 Ca 0.35 -1.08 -0.02 0.00 -1.01 0.00 0.00 55.97 54.21 3md3 s LYS 146 Cb -0.21 -3.09 -0.03 0.00 -1.01 0.00 0.00 37.83 33.50 3md3 s LYS 146 CO 0.22 -0.49 -0.06 0.42 0.51 0.00 0.00 175.35 175.95 3md3 s ILE 147 N 1.31 3.73 0.23 2.17 1.01 -1.26 0.74 121.20 129.13 3md3 s ILE 147 Ca -0.02 -0.43 0.08 0.00 0.00 0.00 0.00 60.65 60.28 3md3 s ILE 147 Cb -0.18 -2.59 -0.05 0.00 0.01 0.00 0.00 42.46 39.65 3md3 s ILE 147 CO -0.03 0.53 -0.12 0.20 0.00 0.00 0.00 174.94 175.52 3md3 s ASN 148 N 0.02 2.71 -0.04 3.58 0.02 0.10 -4.99 114.94 116.34 3md3 s ASN 148 Ca -0.01 -1.07 -0.30 0.00 -1.02 0.00 0.00 52.86 50.46 3md3 s ASN 148 Cb -0.14 -0.16 -0.04 0.00 0.02 0.00 0.00 41.25 40.93 3md3 s ASN 148 CO 0.03 -0.21 1.32 0.26 0.02 0.00 0.00 177.10 178.53 3md3 s TRP 149 N -2.95 2.95 -0.07 2.20 0.52 -1.26 -0.26 118.94 120.06 3md3 s TRP 149 Ca 0.25 0.96 -0.30 0.00 0.02 0.00 0.00 56.10 57.03 3md3 s TRP 149 Cb 0.00 -3.57 -0.03 0.00 -1.15 0.00 0.00 33.47 28.72 3md3 s TRP 149 CO 0.09 -2.02 1.29 0.00 0.02 0.00 0.00 176.95 176.33 3md3 s ALA 150 N 2.47 3.57 -0.09 0.98 0.00 -0.71 -4.73 121.76 123.26 3md3 s ALA 150 Ca 0.60 0.66 -0.30 0.00 0.00 0.00 0.00 51.96 52.92 3md3 s ALA 150 Cb -0.28 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.23 3md3 s ALA 150 CO 0.24 -0.94 1.34 -0.06 0.00 0.00 0.00 175.76 176.33 3md3 s PHE 151 N 2.70 2.79 0.05 0.00 0.40 -1.26 -4.90 117.98 117.76 3md3 s PHE 151 Ca 0.58 0.89 0.05 0.00 -0.60 0.00 0.00 56.93 57.85 3md3 s PHE 151 Cb -0.26 -3.58 -0.02 0.00 0.51 0.00 0.00 43.02 39.66 3md3 s PHE 151 CO 0.21 -2.11 -0.15 -0.65 0.70 0.00 0.00 175.22 173.22 3md3 s GLN 152 N 3.05 0.98 0.05 0.44 -0.21 -1.26 -5.15 119.66 117.55 3md3 s GLN 152 Ca 0.60 -0.82 -0.01 0.00 0.02 0.00 0.00 55.36 55.15 3md3 s GLN 152 Cb -0.26 -1.01 -0.04 0.00 1.00 0.00 0.00 33.01 32.70 3md3 s GLN 152 CO 0.21 0.25 -0.03 -1.54 -2.12 0.00 0.00 175.29 172.06 3md3 s SER 153 N -1.24 0.48 -0.20 5.90 1.04 -1.26 -5.10 113.70 113.33 3md3 s SER 153 Ca 0.02 -0.99 0.01 0.00 0.48 0.00 0.00 55.95 55.47 3md3 s SER 153 Cb -0.08 0.20 0.02 0.00 0.10 0.00 0.00 66.02 66.26 3md3 s SER 153 CO 0.02 -0.59 -0.17 -1.10 0.98 0.00 0.00 173.24 172.37 3md3 s GLN 154 N -3.87 2.90 -0.02 4.02 -0.21 -1.26 -5.11 119.66 116.11 3md3 s GLN 154 Ca 0.06 -0.90 0.01 0.00 0.02 0.00 0.00 55.36 54.55 3md3 s GLN 154 Cb 0.08 -2.68 0.02 0.00 1.00 0.00 0.00 33.01 31.43 3md3 s GLN 154 CO -0.10 -0.27 -0.01 -0.65 -2.12 0.00 0.00 175.29 172.14 3md3 s GLN 155 N 1.28 0.34 0.67 2.91 -0.21 -1.26 -5.06 119.66 118.32 3md3 s GLN 155 Ca 0.03 0.01 -0.13 0.00 0.02 0.00 0.00 55.36 55.29 3md3 s GLN 155 Cb -0.14 -0.46 -0.00 0.00 1.00 0.00 0.00 33.01 33.41 3md3 s GLN 155 CO -0.11 -0.08 1.07 -1.54 -2.12 0.00 0.00 175.29 172.51 3md3 s SER 156 N 0.74 5.40 0.11 5.90 1.04 -1.26 -5.08 113.70 120.56 3md3 s SER 156 Ca -0.08 1.74 -0.05 0.00 0.48 0.00 0.00 55.95 58.04 3md3 s SER 156 Cb -0.11 -2.52 -0.02 0.00 0.10 0.00 0.00 66.02 63.48 3md3 s SER 156 CO -0.01 -1.43 0.14 -0.94 0.98 0.00 0.00 173.24 171.98 3md3 s SER 157 N -3.31 0.22 -0.01 7.02 1.04 -1.26 -5.16 113.70 112.23 3md3 s SER 157 Ca 0.61 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 56.11 3md3 s SER 157 Cb -0.15 0.33 0.02 0.00 0.10 0.00 0.00 66.02 66.31 3md3 s SER 157 CO 0.48 -0.75 0.02 -0.55 0.98 0.00 0.00 173.24 173.42 3md3 s SER 158 N -2.95 0.05 0.47 7.02 0.15 -1.26 -5.14 113.70 112.04 3md3 s SER 158 Ca 0.14 0.03 -0.24 0.00 0.70 0.00 0.00 55.95 56.58 3md3 s SER 158 Cb 0.06 -0.05 -0.07 0.00 -1.71 0.00 0.00 66.02 64.25 3md3 s SER 158 CO -0.04 -0.09 1.29 -1.81 1.20 0.00 0.00 173.24 173.78 3md3 s ASP 159 N 0.78 5.90 -1.32 5.45 1.01 -1.26 -3.68 116.67 123.55 3md3 s ASP 159 Ca -0.07 2.60 -0.08 0.00 0.71 0.00 0.00 52.55 55.72 3md3 s ASP 159 Cb -0.09 -2.63 0.01 0.00 1.01 0.00 0.00 42.92 41.22 3md3 s ASP 159 CO -0.02 -1.13 1.15 0.47 0.21 0.00 0.00 175.17 175.85 3md3 n ASP 160 N -0.46 -5.82 -4.55 0.27 8.00 -1.26 -5.01 116.55 107.72 3md3 n ASP 160 Ca 0.07 -0.54 -0.25 0.00 0.71 0.00 0.00 54.79 54.78 3md3 n ASP 160 Cb 0.45 -4.96 -0.09 0.00 -0.02 0.00 0.00 41.12 36.50 3md3 n ASP 160 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3md3 s THR 161 N -3.32 3.01 -0.30 -3.53 -4.23 -1.24 -4.79 115.64 101.24 3md3 s THR 161 Ca 0.51 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 3md3 s THR 161 Cb -0.22 -2.54 0.06 0.00 1.34 0.00 0.00 72.50 71.14 3md3 s THR 161 CO 0.72 -0.24 -0.02 -0.36 -0.54 0.00 0.00 174.62 174.17 3md3 s PHE 162 N -2.04 3.33 -0.12 3.99 0.08 0.14 -4.94 117.98 118.42 3md3 s PHE 162 Ca 0.27 -2.17 -0.06 0.00 0.12 0.00 0.00 56.93 55.10 3md3 s PHE 162 Cb -0.07 -2.19 -0.04 0.00 -0.57 0.00 0.00 43.02 40.15 3md3 s PHE 162 CO 0.16 -0.85 0.09 -0.80 -0.10 0.00 0.00 175.22 173.72 3md3 s ASN 163 N 1.21 5.98 -0.10 1.36 -0.87 -1.26 -1.72 114.94 119.53 3md3 s ASN 163 Ca -0.04 0.32 0.00 0.00 -1.57 0.00 0.00 52.86 51.57 3md3 s ASN 163 Cb -0.20 -1.90 -0.02 0.00 -0.02 0.00 0.00 41.25 39.11 3md3 s ASN 163 CO -0.03 0.36 -0.10 -0.76 -2.57 0.00 0.00 177.10 174.00 3md3 s LEU 164 N -0.75 2.93 0.24 0.60 1.43 0.44 -1.64 118.68 121.94 3md3 s LEU 164 Ca 0.13 -0.19 -0.30 0.00 -1.03 0.00 0.00 54.13 52.75 3md3 s LEU 164 Cb -0.12 -1.65 -0.09 0.00 0.03 0.00 0.00 46.19 44.36 3md3 s LEU 164 CO 0.03 0.25 1.15 0.12 0.23 0.00 0.00 176.35 178.14 3md3 s PHE 165 N -0.17 3.48 -0.27 0.29 2.19 0.63 -0.91 117.98 123.21 3md3 s PHE 165 Ca 0.01 1.56 -0.00 0.00 0.33 0.00 0.00 56.93 58.83 3md3 s PHE 165 Cb -0.13 -3.37 0.08 0.00 -1.31 0.00 0.00 43.02 38.28 3md3 s PHE 165 CO 0.03 -0.91 0.04 0.08 1.83 0.00 0.00 175.22 176.28 3md3 s VAL 166 N -0.68 1.14 0.56 3.12 1.01 0.34 -2.54 120.40 123.35 3md3 s VAL 166 Ca 0.48 -1.29 0.06 0.00 0.00 0.00 0.00 61.98 61.24 3md3 s VAL 166 Cb -0.33 -1.69 0.06 0.00 0.00 0.00 0.00 36.38 34.42 3md3 s VAL 166 CO 0.40 -0.42 0.50 -0.83 0.00 0.00 0.00 175.10 174.75 3md3 s GLY 167 N 1.53 2.25 -1.46 4.51 0.00 0.76 0.09 107.32 114.99 3md3 s GLY 167 Ca 0.04 -1.39 -0.08 0.00 0.00 0.00 0.00 44.72 43.29 3md3 s GLY 167 CO -0.15 -1.91 0.86 1.34 0.00 0.00 0.00 173.10 173.25 3md3 n ASP 168 N -1.90 -5.90 -4.72 1.64 2.03 -0.82 -2.13 116.55 104.75 3md3 n ASP 168 Ca 0.02 -0.45 -0.41 0.00 0.52 0.00 0.00 54.79 54.47 3md3 n ASP 168 Cb 0.64 -4.72 -0.04 0.00 -0.72 0.00 0.00 41.12 36.29 3md3 n ASP 168 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3md3 s LEU 169 N -6.98 4.44 0.25 -2.67 1.43 0.28 -4.55 118.68 110.87 3md3 s LEU 169 Ca 0.46 1.92 -0.31 0.00 -1.03 0.00 0.00 54.13 55.17 3md3 s LEU 169 Cb -0.21 -3.59 -0.13 0.00 0.03 0.00 0.00 46.19 42.29 3md3 s LEU 169 CO 0.57 -0.26 1.42 -3.20 0.23 0.00 0.00 176.35 175.11 3md3 n ASN 170 N 3.16 2.86 0.16 2.29 4.05 -1.26 -4.49 115.26 122.02 3md3 n ASN 170 Ca 0.05 1.14 0.19 0.00 0.45 0.00 0.00 54.58 56.41 3md3 n ASN 170 Cb 0.48 -1.45 0.76 0.00 1.23 0.00 0.00 39.78 40.80 3md3 n ASN 170 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 177.26 174.79 3md3 h VAL 171 N 3.06 0.28 -0.01 3.44 2.07 -1.94 0.17 116.25 123.31 3md3 h VAL 171 Ca -0.45 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.07 3md3 h VAL 171 Cb 1.27 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 3md3 h VAL 171 CO 0.76 0.00 0.00 -0.46 0.02 0.00 0.00 177.57 177.89 3md3 n ASN 172 N -3.49 0.39 -4.62 0.57 2.04 -1.26 -4.54 115.26 104.34 3md3 n ASN 172 Ca 0.05 -1.22 -0.41 0.00 -0.44 0.00 0.00 54.58 52.55 3md3 n ASN 172 Cb 0.56 -0.01 -0.05 0.00 -2.53 0.00 0.00 39.78 37.75 3md3 n ASN 172 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 3md3 s VAL 173 N -1.99 4.87 0.50 3.53 1.01 0.59 -5.00 120.40 123.91 3md3 s VAL 173 Ca 0.41 1.24 0.06 0.00 0.00 0.00 0.00 61.98 63.70 3md3 s VAL 173 Cb 0.20 -4.07 0.02 0.00 0.00 0.00 0.00 36.38 32.53 3md3 s VAL 173 CO 0.33 -0.12 0.39 1.51 0.00 0.00 0.00 175.10 177.21 3md3 s ASP 174 N 1.51 4.74 0.33 3.32 -4.77 -1.26 -4.95 116.67 115.58 3md3 s ASP 174 Ca 0.31 -1.08 0.11 0.00 -3.30 0.00 0.00 52.55 48.58 3md3 s ASP 174 Cb -0.15 0.06 0.95 0.00 -1.09 0.00 0.00 42.92 42.69 3md3 s ASP 174 CO 0.10 -0.94 1.70 0.44 0.70 0.00 0.00 175.17 177.17 3md3 h ASP 175 N 0.86 0.59 -0.35 2.11 3.45 -1.91 -1.06 116.42 120.11 3md3 h ASP 175 Ca -0.38 0.16 -0.15 0.00 0.43 0.00 0.00 57.03 57.08 3md3 h ASP 175 Cb 1.29 0.08 -0.00 0.00 -0.56 0.00 0.00 39.33 40.13 3md3 h ASP 175 CO 0.58 0.01 -0.37 -0.08 -1.57 0.00 0.00 179.24 177.80 3md3 h GLU 176 N 0.47 0.87 -0.49 3.56 4.57 -1.95 0.91 114.58 122.52 3md3 h GLU 176 Ca 0.67 -0.47 -0.01 0.00 -1.18 0.00 0.00 59.36 58.37 3md3 h GLU 176 Cb 1.38 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.97 3md3 h GLU 176 CO -0.53 1.11 0.25 1.15 -1.18 0.00 0.00 179.01 179.82 3md3 h THR 177 N 0.67 1.18 -0.52 0.32 2.02 -1.66 -1.38 112.91 113.55 3md3 h THR 177 Ca 0.05 -0.50 -0.03 0.00 0.77 0.00 0.00 66.41 66.71 3md3 h THR 177 Cb 0.97 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 3md3 h THR 177 CO 0.09 0.20 0.22 0.25 0.37 0.00 0.00 175.52 176.66 3md3 h LEU 178 N 0.65 0.70 -0.20 2.58 5.85 -1.10 -2.86 115.31 120.93 3md3 h LEU 178 Ca 0.17 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.78 3md3 h LEU 178 Cb 0.09 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 3md3 h LEU 178 CO -0.02 0.66 -0.09 -0.09 -0.34 0.00 0.00 178.44 178.56 3md3 h ARG 179 N 0.69 -0.05 0.00 1.25 1.12 -0.64 -2.15 114.38 114.59 3md3 h ARG 179 Ca 0.17 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.05 3md3 h ARG 179 Cb 0.16 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.14 3md3 h ARG 179 CO -0.02 -0.04 0.00 0.09 -3.11 0.00 0.00 179.97 176.90 3md3 n ASN 180 N -5.24 0.44 0.04 -3.80 5.03 -0.53 -0.91 115.26 110.29 3md3 n ASN 180 Ca -0.02 0.66 0.04 0.00 0.87 0.00 0.00 54.58 56.14 3md3 n ASN 180 Cb 0.16 -0.74 -0.07 0.00 -1.02 0.00 0.00 39.78 38.12 3md3 n ASN 180 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3md3 n ALA 181 N -1.70 2.20 0.00 5.41 0.00 -0.82 -4.54 120.51 121.06 3md3 n ALA 181 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.95 3md3 n ALA 181 Cb 0.10 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.62 3md3 n ALA 181 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3md3 n PHE 182 N -2.73 0.00 0.26 0.00 3.01 -0.86 -4.82 117.46 112.32 3md3 n PHE 182 Ca -0.07 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.47 3md3 n PHE 182 Cb 0.73 0.00 0.63 0.00 -0.01 0.00 0.00 39.48 40.84 3md3 n PHE 182 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3md3 h LYS 183 N 0.00 0.00 -0.00 -1.08 2.10 -1.26 -2.33 116.57 114.01 3md3 h LYS 183 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3md3 h LYS 183 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3md3 h LYS 183 CO 0.00 0.04 -0.06 -0.25 -2.00 0.00 0.00 179.45 177.18 3md3 n ASP 184 N -4.44 0.08 -4.73 7.07 8.00 -1.26 -4.74 116.55 116.53 3md3 n ASP 184 Ca -0.03 0.25 -0.41 0.00 0.71 0.00 0.00 54.79 55.31 3md3 n ASP 184 Cb 0.12 -0.36 -0.04 0.00 -0.02 0.00 0.00 41.12 40.82 3md3 n ASP 184 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3md3 s PHE 185 N -2.90 3.50 0.22 1.24 0.08 -0.88 -4.98 117.98 114.26 3md3 s PHE 185 Ca 0.17 1.48 -0.31 0.00 0.12 0.00 0.00 56.93 58.39 3md3 s PHE 185 Cb 0.19 -3.36 -0.15 0.00 -0.57 0.00 0.00 43.02 39.13 3md3 s PHE 185 CO 0.53 -0.95 1.16 -2.30 -0.10 0.00 0.00 175.22 173.56 3md3 n PRO 186 N 2.70 1.37 -1.01 0.24 -0.02 -1.26 -2.52 135.00 134.50 3md3 n PRO 186 Ca 0.04 0.49 -0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3md3 n PRO 186 Cb 0.46 -1.97 -0.00 0.00 -0.02 0.00 0.00 33.50 31.97 3md3 n PRO 186 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3md3 n SER 187 N 1.79 -3.92 -4.72 2.55 7.64 -1.26 -4.73 113.62 110.96 3md3 n SER 187 Ca 0.13 0.01 -0.43 0.00 1.01 0.00 0.00 58.87 59.59 3md3 n SER 187 Cb 0.28 -1.46 -0.02 0.00 -1.01 0.00 0.00 64.21 62.00 3md3 n SER 187 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3md3 n TYR 188 N -2.70 2.69 -0.00 1.43 9.36 -1.05 -1.51 117.16 125.38 3md3 n TYR 188 Ca -0.00 0.27 -0.04 0.00 3.32 0.00 0.00 57.90 61.44 3md3 n TYR 188 Cb 0.16 -2.58 -0.01 0.00 -0.63 0.00 0.00 39.34 36.28 3md3 n TYR 188 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 3md3 n LEU 189 N 2.40 1.12 -3.54 2.98 0.00 0.75 -4.87 117.00 115.84 3md3 n LEU 189 Ca 0.10 0.16 -0.11 0.00 0.00 0.00 0.00 56.01 56.17 3md3 n LEU 189 Cb 0.35 -0.39 -0.03 0.00 0.00 0.00 0.00 43.42 43.35 3md3 n LEU 189 CO 0.64 -0.39 0.28 -0.94 0.00 0.00 0.00 177.39 176.97 3md3 s SER 190 N -5.90 -0.39 -0.02 1.96 1.04 -1.16 -4.97 113.70 104.26 3md3 s SER 190 Ca -0.09 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.17 3md3 s SER 190 Cb 0.02 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.70 3md3 s SER 190 CO 0.13 -0.91 0.01 -0.83 0.98 0.00 0.00 173.24 172.62 3md3 s GLY 191 N -2.78 0.10 -0.05 7.32 0.00 -1.26 0.45 107.32 111.10 3md3 s GLY 191 Ca 0.02 0.19 0.02 0.00 0.00 0.00 0.00 44.72 44.95 3md3 s GLY 191 CO -0.12 0.47 -0.07 0.30 0.00 0.00 0.00 173.10 173.67 3md3 s HIS 192 N 0.74 0.97 0.13 1.90 3.76 0.08 -4.81 115.29 118.07 3md3 s HIS 192 Ca -0.06 -0.30 -0.25 0.00 -0.15 0.00 0.00 55.06 54.29 3md3 s HIS 192 Cb -0.09 -0.77 -0.07 0.00 1.11 0.00 0.00 32.58 32.75 3md3 s HIS 192 CO -0.02 -0.20 0.78 0.08 -0.85 0.00 0.00 174.74 174.54 3md3 s VAL 193 N 0.70 4.46 -0.19 -0.90 1.01 -1.26 -0.59 120.40 123.63 3md3 s VAL 193 Ca -0.11 1.71 -0.29 0.00 0.00 0.00 0.00 61.98 63.28 3md3 s VAL 193 Cb -0.14 -4.14 -0.00 0.00 0.00 0.00 0.00 36.38 32.10 3md3 s VAL 193 CO 0.01 0.47 1.12 -0.32 0.00 0.00 0.00 175.10 176.39 3md3 s MET 194 N -0.81 4.26 -0.03 2.72 1.75 -0.32 -4.92 119.30 121.96 3md3 s MET 194 Ca 0.37 1.48 -0.02 0.00 -1.25 0.00 0.00 55.69 56.27 3md3 s MET 194 Cb -0.22 -3.67 -0.04 0.00 2.84 0.00 0.00 34.83 33.73 3md3 s MET 194 CO 0.26 -0.63 0.09 -1.58 -0.65 0.00 0.00 175.02 172.50 3md3 s TRP 195 N 3.19 3.33 0.08 4.11 0.52 -1.26 -1.16 118.94 127.75 3md3 s TRP 195 Ca 0.48 0.26 -0.31 0.00 0.02 0.00 0.00 56.10 56.55 3md3 s TRP 195 Cb -0.18 -1.78 -0.08 0.00 -1.15 0.00 0.00 33.47 30.28 3md3 s TRP 195 CO 0.10 0.57 1.61 0.34 0.02 0.00 0.00 176.95 179.60 3md3 s ASP 196 N -1.56 6.63 0.49 2.95 -1.08 0.75 -4.89 116.67 119.96 3md3 s ASP 196 Ca 0.21 2.47 0.32 0.00 -0.52 0.00 0.00 52.55 55.04 3md3 s ASP 196 Cb -0.12 -2.57 1.43 0.00 -1.46 0.00 0.00 42.92 40.20 3md3 s ASP 196 CO 0.12 -0.86 1.96 -0.03 0.52 0.00 0.00 175.17 176.88 3md3 h MET 197 N 7.99 0.00 0.00 4.34 1.85 -1.97 -2.18 114.93 124.96 3md3 h MET 197 Ca -0.42 0.00 -0.29 0.00 -0.61 0.00 0.00 59.70 58.38 3md3 h MET 197 Cb 1.20 0.00 -0.05 0.00 0.43 0.00 0.00 31.60 33.18 3md3 h MET 197 CO 0.92 0.00 -2.04 1.04 -0.40 0.00 0.00 176.91 176.44 3md3 n GLN 198 N -2.86 0.43 -0.02 0.39 3.00 -1.26 -4.80 117.38 112.26 3md3 n GLN 198 Ca 0.00 0.13 -0.06 0.00 -0.01 0.00 0.00 57.00 57.06 3md3 n GLN 198 Cb 0.24 -1.29 -0.13 0.00 0.00 0.00 0.00 30.24 29.06 3md3 n GLN 198 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 3md3 n THR 199 N -3.35 1.43 -0.74 5.09 -2.24 -1.23 -4.98 114.28 108.26 3md3 n THR 199 Ca -0.34 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 60.67 3md3 n THR 199 Cb 0.81 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 3md3 n THR 199 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3md3 n GLY 200 N 1.54 0.61 3.86 3.38 0.00 -0.82 -5.03 105.19 108.73 3md3 n GLY 200 Ca -0.18 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 3md3 n GLY 200 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3md3 s SER 201 N -2.17 6.63 0.29 1.61 0.01 -1.26 -4.77 113.70 114.04 3md3 s SER 201 Ca 0.00 1.24 -0.29 0.00 1.31 0.00 0.00 55.95 58.21 3md3 s SER 201 Cb 0.00 -2.37 -0.10 0.00 0.21 0.00 0.00 66.02 63.77 3md3 s SER 201 CO 0.00 -0.35 1.18 -0.55 0.41 0.00 0.00 173.24 173.93 3md3 s SER 202 N -2.81 7.09 0.00 2.44 0.15 -1.26 -0.18 113.70 119.12 3md3 s SER 202 Ca 0.53 2.41 0.31 0.00 0.70 0.00 0.00 55.95 59.90 3md3 s SER 202 Cb -0.10 -2.63 1.66 0.00 -1.71 0.00 0.00 66.02 63.23 3md3 s SER 202 CO 0.26 -0.29 2.10 0.54 1.20 0.00 0.00 173.24 177.05 3md3 n ARG 203 N 1.15 0.82 -0.95 5.44 5.12 -0.30 -4.83 116.66 123.11 3md3 n ARG 203 Ca -0.00 -0.08 0.00 0.00 -1.93 0.00 0.00 57.85 55.83 3md3 n ARG 203 Cb 0.44 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.24 3md3 n ARG 203 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3md3 n GLY 204 N 1.13 0.45 3.54 -0.13 0.00 -1.26 -5.00 105.19 103.92 3md3 n GLY 204 Ca 0.20 -0.63 -0.09 0.00 0.00 0.00 0.00 46.02 45.49 3md3 n GLY 204 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3md3 s TYR 205 N -2.00 0.03 0.00 1.61 1.13 -1.26 -0.56 117.35 116.30 3md3 s TYR 205 Ca 0.00 -0.39 0.00 0.00 -1.41 0.00 0.00 57.07 55.27 3md3 s TYR 205 Cb 0.00 0.33 0.00 0.00 -1.10 0.00 0.00 41.96 41.19 3md3 s TYR 205 CO 0.00 -0.94 0.00 0.41 -2.51 0.00 0.00 175.55 172.51 3md3 n GLY 206 N -0.35 2.33 2.91 5.49 0.00 0.11 -1.17 105.19 114.53 3md3 n GLY 206 Ca -0.07 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 44.98 3md3 n GLY 206 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3md3 s PHE 207 N -5.37 0.12 -0.01 1.61 0.08 0.24 -0.51 117.98 114.14 3md3 s PHE 207 Ca 0.00 -0.18 0.08 0.00 0.12 0.00 0.00 56.93 56.95 3md3 s PHE 207 Cb 0.00 -0.09 -0.02 0.00 -0.57 0.00 0.00 43.02 42.34 3md3 s PHE 207 CO 0.00 -0.06 -0.25 0.14 -0.10 0.00 0.00 175.22 174.94 3md3 s VAL 208 N -0.50 2.01 -0.05 -0.44 -7.23 -0.09 -0.74 120.40 113.36 3md3 s VAL 208 Ca -0.05 -1.12 0.03 0.00 -1.81 0.00 0.00 61.98 59.03 3md3 s VAL 208 Cb -0.03 -1.67 -0.03 0.00 0.56 0.00 0.00 36.38 35.21 3md3 s VAL 208 CO -0.00 0.54 -0.13 -0.55 -0.31 0.00 0.00 175.10 174.65 3md3 s SER 209 N -0.67 4.16 0.06 4.85 0.15 0.17 -0.42 113.70 121.99 3md3 s SER 209 Ca 0.10 -0.16 0.04 0.00 0.70 0.00 0.00 55.95 56.63 3md3 s SER 209 Cb -0.10 -0.92 -0.03 0.00 -1.71 0.00 0.00 66.02 63.27 3md3 s SER 209 CO -0.01 0.35 -0.12 -0.36 1.20 0.00 0.00 173.24 174.30 3md3 s PHE 210 N -0.74 1.02 -2.35 3.44 0.40 -0.70 -0.17 117.98 118.87 3md3 s PHE 210 Ca 0.12 -0.44 0.29 0.00 -0.60 0.00 0.00 56.93 56.29 3md3 s PHE 210 Cb -0.11 -0.59 1.25 0.00 0.51 0.00 0.00 43.02 44.08 3md3 s PHE 210 CO 0.01 0.01 1.86 0.25 0.70 0.00 0.00 175.22 178.04 3md3 n THR 211 N 1.48 0.00 -3.77 0.64 -2.24 -0.57 0.26 114.28 110.08 3md3 n THR 211 Ca -0.21 -0.19 -0.13 0.00 -2.27 0.00 0.00 64.05 61.25 3md3 n THR 211 Cb 0.54 0.25 -0.14 0.00 -2.10 0.00 0.00 70.33 68.88 3md3 n THR 211 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3md3 s SER 212 N -2.02 -0.09 0.07 3.42 0.15 -1.26 -4.87 113.70 109.09 3md3 s SER 212 Ca 0.40 0.26 -0.20 0.00 0.70 0.00 0.00 55.95 57.11 3md3 s SER 212 Cb 0.21 0.17 -0.10 0.00 -1.71 0.00 0.00 66.02 64.59 3md3 s SER 212 CO 0.35 -0.12 1.49 -0.61 1.20 0.00 0.00 173.24 175.55 3md3 h GLN 213 N 6.94 0.36 -0.74 5.44 4.15 -1.94 -1.15 115.11 128.18 3md3 h GLN 213 Ca -0.39 -0.12 -0.01 0.00 0.77 0.00 0.00 58.65 58.89 3md3 h GLN 213 Cb 1.15 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.78 3md3 h GLN 213 CO 0.43 0.58 0.40 -0.44 -1.93 0.00 0.00 178.83 177.87 3md3 h ASP 214 N 0.11 0.91 0.11 -0.69 3.32 -1.98 -0.63 116.42 117.57 3md3 h ASP 214 Ca 0.05 -0.07 -0.16 0.00 0.02 0.00 0.00 57.03 56.87 3md3 h ASP 214 Cb 0.42 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3md3 h ASP 214 CO 0.01 0.73 -0.57 0.44 -1.72 0.00 0.00 179.24 178.14 3md3 h ASP 215 N 1.03 0.53 -0.64 6.45 3.32 -1.86 -0.61 116.42 124.65 3md3 h ASP 215 Ca 0.26 -0.29 -0.09 0.00 0.02 0.00 0.00 57.03 56.93 3md3 h ASP 215 Cb 0.03 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 3md3 h ASP 215 CO -0.04 0.99 0.04 0.00 -1.72 0.00 0.00 179.24 178.51 3md3 h ALA 216 N 1.02 0.85 -0.69 3.45 0.00 -0.91 -1.63 119.26 121.35 3md3 h ALA 216 Ca 0.00 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.63 3md3 h ALA 216 Cb 1.11 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 3md3 h ALA 216 CO 0.10 0.67 0.44 0.37 0.00 0.00 0.00 179.25 180.84 3md3 h GLN 217 N 1.01 0.86 -0.52 0.00 5.75 -0.92 -0.78 115.11 120.50 3md3 h GLN 217 Ca 0.18 -0.05 -0.09 0.00 -0.15 0.00 0.00 58.65 58.54 3md3 h GLN 217 Cb 0.52 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.86 3md3 h GLN 217 CO 0.03 0.57 -0.03 -0.91 -2.65 0.00 0.00 178.83 175.83 3md3 h ASN 218 N 0.88 0.88 -0.01 -0.69 2.35 -0.89 -1.34 115.58 116.76 3md3 h ASN 218 Ca 0.27 -0.25 -0.13 0.00 -0.55 0.00 0.00 56.30 55.64 3md3 h ASN 218 Cb -0.03 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.09 3md3 h ASN 218 CO -0.09 0.96 -0.41 0.00 -1.65 0.00 0.00 177.43 176.25 3md3 h ALA 219 N 1.13 0.86 -0.14 -0.83 0.00 -1.10 -2.19 119.26 116.99 3md3 h ALA 219 Ca 0.15 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3md3 h ALA 219 Cb 0.54 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3md3 h ALA 219 CO 0.03 0.64 0.01 1.98 0.00 0.00 0.00 179.25 181.91 3md3 h MET 220 N 0.44 0.24 -0.59 0.00 1.85 -0.93 -1.97 114.93 113.97 3md3 h MET 220 Ca 0.04 -0.07 -0.04 0.00 -0.61 0.00 0.00 59.70 59.01 3md3 h MET 220 Cb 0.91 -0.02 -0.03 0.00 0.43 0.00 0.00 31.60 32.89 3md3 h MET 220 CO 0.08 0.46 0.22 -0.44 -0.40 0.00 0.00 176.91 176.83 3md3 h ASP 221 N -0.01 0.80 1.19 1.39 3.32 -1.25 -1.21 116.42 120.65 3md3 h ASP 221 Ca 0.04 -0.11 -0.14 0.00 0.02 0.00 0.00 57.03 56.84 3md3 h ASP 221 Cb 0.35 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 3md3 h ASP 221 CO 0.01 0.73 -0.67 0.28 -1.72 0.00 0.00 179.24 177.87 3md3 h SER 222 N 0.86 0.00 -0.01 6.45 0.02 -1.35 -3.33 113.55 116.19 3md3 h SER 222 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 3md3 h SER 222 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 3md3 h SER 222 CO -0.02 0.67 -0.32 0.23 -1.14 0.00 0.00 176.83 176.26 3md3 n MET 223 N -3.34 1.95 -1.67 3.45 2.81 -0.75 -4.86 117.12 114.72 3md3 n MET 223 Ca 0.01 -0.64 -0.45 0.00 -1.81 0.00 0.00 57.70 54.81 3md3 n MET 223 Cb 0.77 -1.18 -0.04 0.00 -0.71 0.00 0.00 33.22 32.06 3md3 n MET 223 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 3md3 n GLN 224 N -0.30 2.59 0.00 0.03 -0.06 -0.47 -1.72 117.38 117.45 3md3 n GLN 224 Ca 0.05 0.95 0.00 0.00 -2.00 0.00 0.00 57.00 56.00 3md3 n GLN 224 Cb 0.27 -2.85 0.00 0.00 -4.06 0.00 0.00 30.24 23.60 3md3 n GLN 224 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3md3 n GLY 225 N 4.44 2.50 3.76 1.69 0.00 0.42 -4.93 105.19 113.07 3md3 n GLY 225 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 3md3 n GLY 225 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3md3 s GLN 226 N 0.00 3.61 -0.12 1.61 -1.52 -0.70 -3.94 119.66 118.60 3md3 s GLN 226 Ca 0.00 2.15 -0.29 0.00 -1.95 0.00 0.00 55.36 55.26 3md3 s GLN 226 Cb 0.00 -2.51 -0.01 0.00 -0.22 0.00 0.00 33.01 30.27 3md3 s GLN 226 CO 0.00 -0.78 1.03 0.34 -0.25 0.00 0.00 175.29 175.63 3md3 s ASP 227 N -0.90 7.20 -0.13 5.90 -1.08 -1.26 -0.75 116.67 125.66 3md3 s ASP 227 Ca 0.64 1.54 0.00 0.00 -0.52 0.00 0.00 52.55 54.21 3md3 s ASP 227 Cb -0.38 -2.55 0.02 0.00 -1.46 0.00 0.00 42.92 38.55 3md3 s ASP 227 CO 0.47 -0.50 -0.12 -0.22 0.52 0.00 0.00 175.17 175.32 3md3 s LEU 228 N 2.23 1.50 -1.61 -1.34 2.96 -0.01 -4.77 118.68 117.64 3md3 s LEU 228 Ca 0.48 -0.41 -0.12 0.00 -0.22 0.00 0.00 54.13 53.86 3md3 s LEU 228 Cb -0.18 -1.05 0.10 0.00 0.50 0.00 0.00 46.19 45.56 3md3 s LEU 228 CO 0.16 -0.07 0.64 0.59 -1.32 0.00 0.00 176.35 176.35 3md3 n ASN 229 N 4.78 -2.20 0.00 3.68 4.13 -1.26 -1.86 115.26 122.53 3md3 n ASN 229 Ca -0.16 -1.02 0.00 0.00 1.68 0.00 0.00 54.58 55.08 3md3 n ASN 229 Cb 0.50 -2.79 0.00 0.00 -1.54 0.00 0.00 39.78 35.95 3md3 n ASN 229 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3md3 n GLY 230 N -1.64 2.44 3.35 7.41 0.00 -1.26 -4.81 105.19 110.68 3md3 n GLY 230 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 3md3 n GLY 230 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3md3 s ARG 231 N -0.69 2.21 0.15 1.61 0.52 -0.78 -5.02 118.95 116.95 3md3 s ARG 231 Ca 0.00 -0.87 -0.31 0.00 -0.52 0.00 0.00 55.73 54.03 3md3 s ARG 231 Cb 0.00 -2.13 -0.08 0.00 0.52 0.00 0.00 34.95 33.26 3md3 s ARG 231 CO 0.00 0.57 1.37 -2.14 0.02 0.00 0.00 175.30 175.12 3md3 s PRO 232 N -0.63 4.34 0.14 3.54 0.02 -1.26 -0.83 135.00 140.31 3md3 s PRO 232 Ca 0.10 2.09 -0.30 0.00 0.02 0.00 0.00 61.00 62.91 3md3 s PRO 232 Cb -0.10 -3.22 -0.07 0.00 0.02 0.00 0.00 34.50 31.13 3md3 s PRO 232 CO -0.01 -0.38 1.09 -0.51 -0.33 0.00 0.00 177.00 176.87 3md3 s LEU 233 N 0.60 4.46 -0.35 -5.54 1.43 0.07 -4.66 118.68 114.70 3md3 s LEU 233 Ca 0.62 2.01 -0.03 0.00 -1.03 0.00 0.00 54.13 55.70 3md3 s LEU 233 Cb -0.37 -3.60 0.07 0.00 0.03 0.00 0.00 46.19 42.32 3md3 s LEU 233 CO 0.34 -0.25 0.09 -0.13 0.23 0.00 0.00 176.35 176.63 3md3 s ARG 234 N 0.02 2.31 0.01 1.70 1.81 -0.90 -0.44 118.95 123.46 3md3 s ARG 234 Ca 0.51 -1.45 0.08 0.00 -1.72 0.00 0.00 55.73 53.15 3md3 s ARG 234 Cb -0.28 -3.37 -0.03 0.00 -0.45 0.00 0.00 34.95 30.82 3md3 s ARG 234 CO 0.33 -0.79 -0.24 0.42 -0.68 0.00 0.00 175.30 174.34 3md3 s ILE 235 N 1.24 2.31 0.05 1.52 1.01 -1.26 -0.17 121.20 125.89 3md3 s ILE 235 Ca 0.00 -1.18 -0.27 0.00 0.00 0.00 0.00 60.65 59.20 3md3 s ILE 235 Cb -0.21 -1.87 0.09 0.00 0.01 0.00 0.00 42.46 40.48 3md3 s ILE 235 CO -0.01 0.47 0.80 0.21 0.00 0.00 0.00 174.94 176.41 3md3 s ASN 236 N -0.98 -0.42 0.33 3.58 3.84 -1.05 -4.99 114.94 115.25 3md3 s ASN 236 Ca 0.11 -0.00 -0.29 0.00 0.21 0.00 0.00 52.86 52.89 3md3 s ASN 236 Cb -0.10 0.45 -0.12 0.00 -0.55 0.00 0.00 41.25 40.93 3md3 s ASN 236 CO 0.01 -0.73 1.46 0.79 -2.79 0.00 0.00 177.10 175.84 3md3 n TRP 237 N -0.29 2.69 -0.01 0.43 7.02 -1.26 -0.27 117.44 125.75 3md3 n TRP 237 Ca -0.11 0.42 -0.01 0.00 -1.02 0.00 0.00 57.50 56.79 3md3 n TRP 237 Cb 0.63 -2.51 -0.12 0.00 -2.42 0.00 0.00 31.31 26.89 3md3 n TRP 237 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3md3 n ALA 238 N 1.00 1.97 -1.28 6.99 0.00 -0.65 -4.67 120.51 123.88 3md3 n ALA 238 Ca 0.05 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.76 3md3 n ALA 238 Cb 0.37 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.08 3md3 n ALA 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3md3 n ALA 239 N -2.46 1.24 -1.27 0.00 0.00 -1.26 -5.04 120.51 111.71 3md3 n ALA 239 Ca -0.14 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.71 3md3 n ALA 239 Cb 0.87 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 20.21 3md3 n ALA 239 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86