#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mce s LEU 75 N 0.00 3.99 0.40 2.45 1.02 -1.26 -4.96 118.68 120.32 3mce s LEU 75 Ca 0.00 2.72 -0.24 0.00 0.02 0.00 0.00 54.13 56.63 3mce s LEU 75 Cb 0.00 -4.13 -0.09 0.00 0.02 0.00 0.00 46.19 41.99 3mce s LEU 75 CO 0.00 -1.28 1.09 -0.83 0.02 0.00 0.00 176.35 175.35 3mce s GLY 76 N -0.87 2.79 -0.20 -3.19 0.00 -1.26 -4.98 107.32 99.61 3mce s GLY 76 Ca 0.66 0.80 -0.29 0.00 0.00 0.00 0.00 44.72 45.89 3mce s GLY 76 CO 0.48 1.26 1.10 -0.45 0.00 0.00 0.00 173.10 175.49 3mce s SER 77 N -1.40 7.07 0.15 1.64 0.15 -1.26 -4.92 113.70 115.12 3mce s SER 77 Ca 0.58 1.47 -0.13 0.00 0.70 0.00 0.00 55.95 58.57 3mce s SER 77 Cb -0.25 -2.54 0.02 0.00 -1.71 0.00 0.00 66.02 61.53 3mce s SER 77 CO 0.32 -0.68 1.62 -0.65 1.20 0.00 0.00 173.24 175.05 3mce h PRO 78 N 7.61 0.84 -0.77 5.44 0.11 -1.98 -1.07 132.00 142.18 3mce h PRO 78 Ca -0.22 -0.25 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3mce h PRO 78 Cb 1.08 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.06 3mce h PRO 78 CO 0.97 0.86 0.48 0.93 -0.21 0.00 0.00 178.00 181.03 3mce h GLU 79 N 0.70 1.03 -0.09 1.05 3.07 -1.99 -2.34 114.58 116.01 3mce h GLU 79 Ca 0.14 -0.08 -0.21 0.00 -0.50 0.00 0.00 59.36 58.71 3mce h GLU 79 Cb 0.45 -0.22 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 3mce h GLU 79 CO 0.02 0.70 -0.81 0.74 -1.40 0.00 0.00 179.01 178.27 3mce h PHE 80 N 1.04 0.80 -0.20 4.33 0.04 -1.86 -2.21 116.94 118.89 3mce h PHE 80 Ca 0.28 -0.37 0.06 0.00 2.80 0.00 0.00 57.97 60.73 3mce h PHE 80 Cb -0.08 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 37.95 3mce h PHE 80 CO -0.01 1.17 0.15 1.03 -0.60 0.00 0.00 178.31 180.05 3mce h SER 81 N 0.38 0.00 0.66 2.17 0.87 -1.14 -1.76 113.55 114.72 3mce h SER 81 Ca -0.05 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.24 3mce h SER 81 Cb 1.42 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.37 3mce h SER 81 CO 0.15 0.00 -1.29 0.11 -0.53 0.00 0.00 176.83 175.28 3mce h LYS 82 N 0.00 0.20 0.00 2.24 1.57 -1.05 -3.10 116.57 116.42 3mce h LYS 82 Ca 0.09 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 3mce h LYS 82 Cb 0.40 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.84 3mce h LYS 82 CO -0.00 1.12 0.00 -0.07 -0.57 0.00 0.00 179.45 179.92 3mce h LEU 83 N 0.05 0.00 0.00 2.94 -0.00 -1.08 -3.46 115.31 113.76 3mce h LEU 83 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.74 3mce h LEU 83 Cb 1.94 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.60 3mce h LEU 83 CO 0.17 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.22 3mce n GLY 84 N -0.05 1.48 3.76 0.83 0.00 -0.77 -5.08 105.19 105.36 3mce n GLY 84 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 3mce n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mce s LEU 85 N 0.00 3.62 0.03 0.99 1.43 -0.74 -4.29 118.68 119.72 3mce s LEU 85 Ca 0.00 -0.33 0.07 0.00 -1.03 0.00 0.00 54.13 52.84 3mce s LEU 85 Cb 0.00 -2.18 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 3mce s LEU 85 CO 0.00 0.00 -0.20 0.00 0.23 0.00 0.00 176.35 176.38 3mce s ARG 86 N -3.57 1.39 0.09 1.70 1.70 -0.96 -4.11 118.95 115.19 3mce s ARG 86 Ca 0.32 -0.89 -0.30 0.00 -0.47 0.00 0.00 55.73 54.38 3mce s ARG 86 Cb -0.08 -1.47 -0.06 0.00 -0.57 0.00 0.00 34.95 32.77 3mce s ARG 86 CO 0.23 0.38 1.13 -1.14 -1.08 0.00 0.00 175.30 174.81 3mce s GLN 87 N -1.07 4.51 -0.25 3.89 0.74 -1.26 -1.12 119.66 125.10 3mce s GLN 87 Ca 0.07 1.69 -0.15 0.00 0.05 0.00 0.00 55.36 57.02 3mce s GLN 87 Cb -0.09 -3.34 -0.04 0.00 1.10 0.00 0.00 33.01 30.64 3mce s GLN 87 CO 0.01 -0.11 0.38 0.08 -0.55 0.00 0.00 175.29 175.11 3mce s VAL 88 N 0.62 5.18 0.09 1.34 1.01 0.14 -4.93 120.40 123.86 3mce s VAL 88 Ca 0.54 0.62 -0.15 0.00 0.00 0.00 0.00 61.98 62.99 3mce s VAL 88 Cb -0.28 -3.71 -0.06 0.00 0.00 0.00 0.00 36.38 32.33 3mce s VAL 88 CO 0.31 0.19 0.51 0.42 0.00 0.00 0.00 175.10 176.53 3mce s THR 89 N 1.82 4.89 -1.07 3.92 -4.23 -1.26 -4.42 115.64 115.28 3mce s THR 89 Ca 0.16 0.88 -0.06 0.00 -1.18 0.00 0.00 61.69 61.50 3mce s THR 89 Cb -0.15 -3.76 0.01 0.00 1.34 0.00 0.00 72.50 69.93 3mce s THR 89 CO 0.09 0.39 0.93 0.61 -0.54 0.00 0.00 174.62 176.09 3mce n GLY 90 N 1.23 -0.24 3.67 3.99 0.00 -1.26 -4.98 105.19 107.60 3mce n GLY 90 Ca -0.08 0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 3mce n GLY 90 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mce s VAL 91 N -3.26 4.74 -0.08 1.61 1.01 -1.26 -4.92 120.40 118.24 3mce s VAL 91 Ca 0.39 1.98 0.09 0.00 0.00 0.00 0.00 61.98 64.44 3mce s VAL 91 Cb -0.17 -4.29 -0.24 0.00 0.00 0.00 0.00 36.38 31.68 3mce s VAL 91 CO 0.58 -0.09 0.53 1.07 0.00 0.00 0.00 175.10 177.20 3mce n THR 92 N 4.99 1.62 -3.64 3.92 5.66 -1.26 -4.28 114.28 121.29 3mce n THR 92 Ca 0.10 -0.77 -0.08 0.00 -3.05 0.00 0.00 64.05 60.25 3mce n THR 92 Cb 0.47 -1.14 -0.07 0.00 -1.55 0.00 0.00 70.33 68.04 3mce n THR 92 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 3mce s ARG 93 N -2.58 0.57 -0.15 1.09 3.52 -1.26 -2.16 118.95 117.98 3mce s ARG 93 Ca -0.09 0.77 0.01 0.00 -0.13 0.00 0.00 55.73 56.29 3mce s ARG 93 Cb 0.08 0.23 0.00 0.00 -1.56 0.00 0.00 34.95 33.70 3mce s ARG 93 CO 0.81 -0.08 -0.17 0.08 -0.81 0.00 0.00 175.30 175.12 3mce s VAL 94 N 0.67 2.46 -0.14 7.11 1.01 -0.33 -5.00 120.40 126.17 3mce s VAL 94 Ca -0.02 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.13 3mce s VAL 94 Cb -0.05 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 3mce s VAL 94 CO -0.08 0.53 -0.15 -0.89 0.00 0.00 0.00 175.10 174.50 3mce s THR 95 N 0.85 2.77 -0.12 3.92 2.01 -1.26 -1.20 115.64 122.60 3mce s THR 95 Ca -0.05 -0.75 0.02 0.00 0.31 0.00 0.00 61.69 61.21 3mce s THR 95 Cb -0.15 -2.15 0.02 0.00 0.01 0.00 0.00 72.50 70.22 3mce s THR 95 CO -0.01 0.52 -0.16 -0.51 -0.69 0.00 0.00 174.62 173.78 3mce s ILE 96 N 0.54 1.55 -0.26 1.82 1.10 -0.25 -4.97 121.20 120.73 3mce s ILE 96 Ca -0.10 -0.67 -0.11 0.00 -0.51 0.00 0.00 60.65 59.27 3mce s ILE 96 Cb -0.16 -1.42 -0.05 0.00 0.15 0.00 0.00 42.46 40.98 3mce s ILE 96 CO 0.04 0.45 0.18 -0.13 -2.11 0.00 0.00 174.94 173.38 3mce s ARG 97 N 1.05 4.00 -0.23 3.50 0.52 -1.26 -0.47 118.95 126.05 3mce s ARG 97 Ca -0.05 -0.29 -0.07 0.00 -0.52 0.00 0.00 55.73 54.81 3mce s ARG 97 Cb -0.15 -3.61 -0.03 0.00 0.52 0.00 0.00 34.95 31.68 3mce s ARG 97 CO -0.03 -0.09 0.05 0.21 0.02 0.00 0.00 175.30 175.46 3mce s LYS 98 N 1.50 3.67 3.39 3.54 2.20 0.88 -5.00 119.74 129.92 3mce s LYS 98 Ca 0.07 -0.48 0.00 0.00 -0.36 0.00 0.00 55.97 55.21 3mce s LYS 98 Cb -0.15 -3.25 0.00 0.00 -1.51 0.00 0.00 37.83 32.92 3mce s LYS 98 CO 0.09 -0.10 0.00 0.45 -0.36 0.00 0.00 175.35 175.43 3mce n SER 99 N 4.63 0.00 0.07 1.43 2.88 -1.26 -1.85 113.62 119.52 3mce n SER 99 Ca -0.16 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.23 3mce n SER 99 Cb 0.52 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.84 3mce n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3mce h LYS 100 N 0.00 0.21 0.00 -1.46 3.64 -2.05 -3.40 116.57 113.50 3mce h LYS 100 Ca 0.00 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 3mce h LYS 100 Cb 0.00 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3mce h LYS 100 CO 0.00 1.09 0.00 0.09 -2.27 0.00 0.00 179.45 178.36 3mce n ASN 101 N -3.44 0.28 -4.71 4.20 3.02 -1.25 -5.04 115.26 108.33 3mce n ASN 101 Ca -0.12 -0.62 -0.37 0.00 -0.03 0.00 0.00 54.58 53.44 3mce n ASN 101 Cb 1.02 0.62 -0.07 0.00 -0.61 0.00 0.00 39.78 40.75 3mce n ASN 101 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3mce s ILE 102 N -0.62 5.27 -0.09 2.41 1.01 -0.77 -2.34 121.20 126.08 3mce s ILE 102 Ca 0.00 0.59 0.04 0.00 0.00 0.00 0.00 60.65 61.28 3mce s ILE 102 Cb 0.00 -3.66 -0.00 0.00 0.01 0.00 0.00 42.46 38.81 3mce s ILE 102 CO 0.00 0.34 -0.23 -0.76 0.00 0.00 0.00 174.94 174.30 3mce s LEU 103 N 0.75 2.03 -0.26 2.97 1.02 -0.90 -0.08 118.68 124.21 3mce s LEU 103 Ca 0.17 -0.51 -0.09 0.00 0.02 0.00 0.00 54.13 53.72 3mce s LEU 103 Cb -0.14 -1.32 -0.04 0.00 0.02 0.00 0.00 46.19 44.72 3mce s LEU 103 CO 0.05 0.16 0.13 -0.36 0.02 0.00 0.00 176.35 176.35 3mce s PHE 104 N 0.28 3.15 -0.24 0.29 0.08 0.38 -1.29 117.98 120.63 3mce s PHE 104 Ca -0.15 -0.16 0.02 0.00 0.12 0.00 0.00 56.93 56.75 3mce s PHE 104 Cb -0.17 -2.30 0.04 0.00 -0.57 0.00 0.00 43.02 40.02 3mce s PHE 104 CO 0.07 -0.26 -0.13 0.08 -0.10 0.00 0.00 175.22 174.88 3mce s VAL 105 N 1.67 2.22 -0.33 -0.44 1.01 -0.32 -1.09 120.40 123.11 3mce s VAL 105 Ca 0.07 -1.37 -0.09 0.00 0.00 0.00 0.00 61.98 60.58 3mce s VAL 105 Cb -0.15 -2.18 0.01 0.00 0.00 0.00 0.00 36.38 34.06 3mce s VAL 105 CO 0.07 0.16 0.15 -0.63 0.00 0.00 0.00 175.10 174.85 3mce s ILE 106 N 1.18 4.38 -0.07 2.22 1.01 -0.34 -0.51 121.20 129.07 3mce s ILE 106 Ca -0.04 -0.71 -0.18 0.00 0.00 0.00 0.00 60.65 59.72 3mce s ILE 106 Cb -0.18 -3.34 -0.05 0.00 0.01 0.00 0.00 42.46 38.90 3mce s ILE 106 CO -0.07 -0.07 0.48 -0.89 0.00 0.00 0.00 174.94 174.39 3mce s THR 107 N 1.55 5.09 -0.62 2.92 2.01 -1.26 -1.19 115.64 124.14 3mce s THR 107 Ca 0.03 0.98 -0.16 0.00 0.31 0.00 0.00 61.69 62.85 3mce s THR 107 Cb -0.18 -3.81 0.02 0.00 0.01 0.00 0.00 72.50 68.54 3mce s THR 107 CO 0.05 0.40 0.58 0.29 -0.69 0.00 0.00 174.62 175.26 3mce n LYS 108 N 3.05 -1.57 -2.48 4.92 5.02 -0.92 -4.87 118.16 121.31 3mce n LYS 108 Ca -0.09 0.95 -0.24 0.00 -2.02 0.00 0.00 58.31 56.91 3mce n LYS 108 Cb 0.52 -1.95 0.11 0.00 -0.02 0.00 0.00 35.03 33.69 3mce n LYS 108 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3mce s PRO 109 N -3.70 1.61 -0.17 1.97 0.04 -1.26 -4.99 135.00 128.50 3mce s PRO 109 Ca 0.15 -0.96 -0.04 0.00 0.04 0.00 0.00 61.00 60.19 3mce s PRO 109 Cb -0.02 -2.27 -0.02 0.00 0.04 0.00 0.00 34.50 32.23 3mce s PRO 109 CO 0.82 -1.53 -0.03 -0.51 0.04 0.00 0.00 177.00 175.79 3mce s ASP 110 N -4.73 4.76 -0.04 6.66 1.01 -0.86 -4.79 116.67 118.69 3mce s ASP 110 Ca 0.67 -0.17 0.02 0.00 0.71 0.00 0.00 52.55 53.77 3mce s ASP 110 Cb -0.06 -1.79 0.01 0.00 1.01 0.00 0.00 42.92 42.09 3mce s ASP 110 CO 0.45 0.12 -0.08 -0.69 0.21 0.00 0.00 175.17 175.18 3mce s VAL 111 N 0.63 0.78 0.05 -1.27 1.01 -1.26 -0.86 120.40 119.48 3mce s VAL 111 Ca -0.02 -0.32 0.09 0.00 0.00 0.00 0.00 61.98 61.74 3mce s VAL 111 Cb -0.14 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 3mce s VAL 111 CO 0.02 0.26 -0.26 -0.31 0.00 0.00 0.00 175.10 174.81 3mce s TYR 112 N 0.46 2.30 0.05 5.22 1.51 -0.66 0.26 117.35 126.48 3mce s TYR 112 Ca -0.08 -0.41 0.05 0.00 -1.01 0.00 0.00 57.07 55.62 3mce s TYR 112 Cb -0.11 -1.37 -0.02 0.00 -0.11 0.00 0.00 41.96 40.35 3mce s TYR 112 CO 0.01 0.14 -0.14 0.21 -1.11 0.00 0.00 175.55 174.66 3mce s LYS 113 N -1.31 0.91 0.46 -0.62 2.20 -0.28 -0.27 119.74 120.83 3mce s LYS 113 Ca 0.12 -0.80 -0.25 0.00 -0.36 0.00 0.00 55.97 54.68 3mce s LYS 113 Cb -0.10 -0.92 -0.08 0.00 -1.51 0.00 0.00 37.83 35.23 3mce s LYS 113 CO 0.02 0.22 1.40 0.45 -0.36 0.00 0.00 175.35 177.09 3mce s SER 114 N -1.27 5.84 0.38 1.43 0.15 -0.78 -2.27 113.70 117.17 3mce s SER 114 Ca 0.01 2.87 0.27 0.00 0.70 0.00 0.00 55.95 59.79 3mce s SER 114 Cb -0.08 -2.65 0.88 0.00 -1.71 0.00 0.00 66.02 62.46 3mce s SER 114 CO 0.01 -1.20 1.78 1.55 1.20 0.00 0.00 173.24 176.59 3mce h PRO 115 N 2.24 0.00 0.00 5.44 0.13 -1.93 -3.32 132.00 134.56 3mce h PRO 115 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3mce h PRO 115 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3mce h PRO 115 CO 0.61 0.00 -1.69 0.00 -0.23 0.00 0.00 178.00 176.68 3mce n ALA 116 N -1.96 3.31 -3.42 -0.56 0.00 -1.26 -5.04 120.51 111.58 3mce n ALA 116 Ca 0.03 -0.52 0.02 0.00 0.00 0.00 0.00 53.44 52.97 3mce n ALA 116 Cb 0.38 -0.73 0.01 0.00 0.00 0.00 0.00 19.45 19.11 3mce n ALA 116 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3mce n SER 117 N -2.03 -0.99 -3.59 0.00 3.41 -1.25 -5.04 113.62 104.13 3mce n SER 117 Ca -0.02 -1.61 -0.41 0.00 -0.26 0.00 0.00 58.87 56.58 3mce n SER 117 Cb 0.49 1.63 0.01 0.00 -0.26 0.00 0.00 64.21 66.08 3mce n SER 117 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3mce n ASP 118 N -1.08 7.58 -4.36 4.04 9.92 -1.26 -4.34 116.55 127.05 3mce n ASP 118 Ca -0.03 -3.46 -0.33 0.00 -0.53 0.00 0.00 54.79 50.44 3mce n ASP 118 Cb 0.29 -1.25 -0.14 0.00 -0.64 0.00 0.00 41.12 39.38 3mce n ASP 118 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3mce s THR 119 N -3.00 3.16 0.13 -3.53 2.01 -1.26 -5.03 115.64 108.13 3mce s THR 119 Ca 0.45 -0.60 0.08 0.00 0.31 0.00 0.00 61.69 61.92 3mce s THR 119 Cb 0.18 -2.36 -0.04 0.00 0.01 0.00 0.00 72.50 70.29 3mce s THR 119 CO -0.11 0.50 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.83 3mce s TYR 120 N 0.67 1.67 -0.14 4.92 1.51 -1.26 -1.87 117.35 122.85 3mce s TYR 120 Ca -0.05 -0.47 0.00 0.00 -1.01 0.00 0.00 57.07 55.53 3mce s TYR 120 Cb -0.15 -0.87 -0.01 0.00 -0.11 0.00 0.00 41.96 40.82 3mce s TYR 120 CO 0.02 0.23 -0.14 0.42 -1.11 0.00 0.00 175.55 174.97 3mce s ILE 121 N -1.74 2.87 -0.14 2.71 1.01 0.63 -4.95 121.20 121.59 3mce s ILE 121 Ca 0.10 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 60.05 3mce s ILE 121 Cb -0.07 -2.21 0.01 0.00 0.01 0.00 0.00 42.46 40.20 3mce s ILE 121 CO 0.05 0.52 -0.19 -0.69 0.00 0.00 0.00 174.94 174.62 3mce s VAL 122 N 0.59 1.87 -0.30 2.92 1.01 -1.26 -1.66 120.40 123.57 3mce s VAL 122 Ca -0.08 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.01 3mce s VAL 122 Cb -0.16 -1.67 0.04 0.00 0.00 0.00 0.00 36.38 34.59 3mce s VAL 122 CO 0.03 0.51 0.01 -0.36 0.00 0.00 0.00 175.10 175.29 3mce s PHE 123 N 0.97 3.21 0.00 5.22 0.40 -0.04 -4.94 117.98 122.81 3mce s PHE 123 Ca -0.05 -1.65 0.00 0.00 -0.60 0.00 0.00 56.93 54.63 3mce s PHE 123 Cb -0.15 -2.14 0.00 0.00 0.51 0.00 0.00 43.02 41.25 3mce s PHE 123 CO -0.04 -0.76 0.00 0.41 0.70 0.00 0.00 175.22 175.54 3mce n GLY 124 N 4.69 2.52 3.63 4.36 0.00 -1.26 -2.02 105.19 117.10 3mce n GLY 124 Ca -0.14 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 44.53 3mce n GLY 124 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3mce s GLU 125 N -2.00 3.73 -0.18 1.61 1.03 -1.26 -4.96 118.70 116.67 3mce s GLU 125 Ca 0.00 2.06 -0.23 0.00 0.03 0.00 0.00 54.97 56.83 3mce s GLU 125 Cb 0.00 -4.16 -0.02 0.00 -0.80 0.00 0.00 34.13 29.15 3mce s GLU 125 CO 0.00 -1.40 0.75 0.00 -1.33 0.00 0.00 175.26 173.28 3mce s ALA 126 N 5.77 3.53 -0.28 -0.84 0.00 -1.26 -3.98 121.76 124.70 3mce s ALA 126 Ca 0.84 -0.09 -0.14 0.00 0.00 0.00 0.00 51.96 52.58 3mce s ALA 126 Cb -0.33 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 3mce s ALA 126 CO 0.34 -0.61 0.32 0.21 0.00 0.00 0.00 175.76 176.02 3mce s LYS 127 N 2.05 3.97 0.03 0.00 2.20 0.33 -4.78 119.74 123.55 3mce s LYS 127 Ca 0.34 -0.09 -0.20 0.00 -0.36 0.00 0.00 55.97 55.66 3mce s LYS 127 Cb -0.16 -3.67 -0.06 0.00 -1.51 0.00 0.00 37.83 32.43 3mce s LYS 127 CO 0.11 -0.27 0.58 0.42 -0.36 0.00 0.00 175.35 175.84 3mce s ILE 128 N 1.98 4.82 -0.05 5.43 1.09 -1.26 -1.18 121.20 132.03 3mce s ILE 128 Ca 0.13 1.24 0.05 0.00 -1.10 0.00 0.00 60.65 60.96 3mce s ILE 128 Cb -0.16 -3.92 -0.01 0.00 -1.06 0.00 0.00 42.46 37.32 3mce s ILE 128 CO 0.10 0.48 -0.20 -1.61 -0.10 0.00 0.00 174.94 173.62 3mce s GLU 129 N -0.64 2.08 -0.27 2.79 2.02 -0.41 -4.99 118.70 119.27 3mce s GLU 129 Ca 0.30 -0.72 0.01 0.00 0.02 0.00 0.00 54.97 54.57 3mce s GLU 129 Cb -0.19 -1.79 0.05 0.00 0.10 0.00 0.00 34.13 32.31 3mce s GLU 129 CO 0.18 0.30 -0.07 0.34 0.02 0.00 0.00 175.26 176.03 3mce s ASP 130 N -0.04 4.53 0.25 -0.19 -1.08 -1.26 -2.12 116.67 116.75 3mce s ASP 130 Ca -0.04 -1.25 0.25 0.00 -0.52 0.00 0.00 52.55 50.99 3mce s ASP 130 Cb -0.12 -1.62 0.63 0.00 -1.46 0.00 0.00 42.92 40.34 3mce s ASP 130 CO 0.03 -0.20 1.66 -0.07 0.52 0.00 0.00 175.17 177.11 3mce h LEU 131 N 7.89 0.00 -1.83 -1.34 3.38 -1.87 -3.32 115.31 118.22 3mce h LEU 131 Ca -0.23 -0.03 0.38 0.00 0.09 0.00 0.00 57.88 58.10 3mce h LEU 131 Cb 1.06 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.74 3mce h LEU 131 CO 0.51 0.01 0.93 0.28 0.09 0.00 0.00 178.44 180.26 3mce h SER 132 N 0.00 0.10 0.00 -0.43 0.02 -1.94 -3.51 113.55 107.79 3mce h SER 132 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3mce h SER 132 Cb 0.80 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.36 3mce h SER 132 CO 0.00 -0.01 0.00 0.00 -1.14 0.00 0.00 176.83 175.68