#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mhy s LYS 2 N 0.00 0.86 -0.37 0.03 -0.14 -0.17 -1.33 119.74 118.62 3mhy s LYS 2 Ca 0.00 -0.45 -0.08 0.00 -1.36 0.00 0.00 55.97 54.08 3mhy s LYS 2 Cb 0.00 -0.83 0.05 0.00 -1.68 0.00 0.00 37.83 35.38 3mhy s LYS 2 CO 0.00 0.22 0.17 -1.17 -0.76 0.00 0.00 175.35 173.82 3mhy s LEU 3 N -0.44 4.68 -0.25 3.17 2.96 0.69 -0.90 118.68 128.59 3mhy s LEU 3 Ca 0.03 -1.25 -0.21 0.00 -0.22 0.00 0.00 54.13 52.49 3mhy s LEU 3 Cb -0.05 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.69 3mhy s LEU 3 CO -0.00 -0.41 0.64 -0.69 -1.32 0.00 0.00 176.35 174.57 3mhy s VAL 4 N 1.43 4.98 -0.16 1.68 1.01 0.27 -0.84 120.40 128.77 3mhy s VAL 4 Ca 0.01 1.16 -0.01 0.00 0.00 0.00 0.00 61.98 63.14 3mhy s VAL 4 Cb -0.21 -3.94 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 3mhy s VAL 4 CO 0.03 0.03 -0.12 -0.32 0.00 0.00 0.00 175.10 174.72 3mhy s MET 5 N 2.49 3.29 -0.03 2.72 1.75 0.45 -0.86 119.30 129.10 3mhy s MET 5 Ca 0.27 -0.70 0.04 0.00 -1.25 0.00 0.00 55.69 54.04 3mhy s MET 5 Cb -0.15 -2.71 -0.00 0.00 2.84 0.00 0.00 34.83 34.80 3mhy s MET 5 CO 0.08 0.02 -0.15 0.00 -0.65 0.00 0.00 175.02 174.32 3mhy s ALA 6 N 0.85 1.32 -0.30 4.11 0.00 0.44 0.06 121.76 128.25 3mhy s ALA 6 Ca -0.04 -0.61 -0.08 0.00 0.00 0.00 0.00 51.96 51.23 3mhy s ALA 6 Cb -0.15 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.54 3mhy s ALA 6 CO 0.00 0.26 0.12 0.42 0.00 0.00 0.00 175.76 176.56 3mhy s ILE 7 N -0.03 4.38 0.24 0.00 -1.09 -0.25 -0.39 121.20 124.06 3mhy s ILE 7 Ca -0.01 -0.46 0.05 0.00 -2.23 0.00 0.00 60.65 58.00 3mhy s ILE 7 Cb -0.09 -3.21 -0.05 0.00 -1.58 0.00 0.00 42.46 37.52 3mhy s ILE 7 CO 0.01 0.11 -0.04 0.27 -1.23 0.00 0.00 174.94 174.06 3mhy s ILE 8 N 1.58 1.33 0.32 2.92 -4.36 -0.46 -2.35 121.20 120.18 3mhy s ILE 8 Ca 0.04 -2.08 -0.29 0.00 -0.26 0.00 0.00 60.65 58.06 3mhy s ILE 8 Cb -0.17 -2.32 -0.10 0.00 1.25 0.00 0.00 42.46 41.11 3mhy s ILE 8 CO 0.05 -0.37 1.40 -0.54 0.24 0.00 0.00 174.94 175.72 3mhy s LYS 9 N -3.79 4.25 0.35 0.37 1.02 -1.26 -1.55 119.74 119.13 3mhy s LYS 9 Ca 0.27 2.35 0.06 0.00 0.02 0.00 0.00 55.97 58.68 3mhy s LYS 9 Cb 0.04 -3.05 0.73 0.00 -0.52 0.00 0.00 37.83 35.04 3mhy s LYS 9 CO 0.09 -0.36 1.92 -1.35 -0.92 0.00 0.00 175.35 174.73 3mhy h PRO 10 N 3.71 0.76 0.00 -1.68 0.11 -1.89 -1.50 132.00 131.50 3mhy h PRO 10 Ca -0.49 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3mhy h PRO 10 Cb 1.23 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3mhy h PRO 10 CO 0.68 0.50 0.00 1.97 -0.21 0.00 0.00 178.00 180.94 3mhy n PHE 11 N -4.51 0.14 1.32 0.65 1.16 -1.26 -2.46 117.46 112.49 3mhy n PHE 11 Ca 0.14 0.05 0.13 0.00 -1.87 0.00 0.00 57.45 55.90 3mhy n PHE 11 Cb 0.32 -0.59 0.40 0.00 -1.61 0.00 0.00 39.48 38.00 3mhy n PHE 11 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 3mhy n LYS 12 N -1.63 1.26 -0.14 3.97 4.76 -0.57 -4.42 118.16 121.39 3mhy n LYS 12 Ca 0.04 -0.78 -0.04 0.00 -2.87 0.00 0.00 58.31 54.65 3mhy n LYS 12 Cb 0.19 -1.48 0.05 0.00 -1.84 0.00 0.00 35.03 31.95 3mhy n LYS 12 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3mhy h LEU 13 N 1.91 0.16 -0.40 -0.35 5.85 -1.61 -1.66 115.31 119.21 3mhy h LEU 13 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3mhy h LEU 13 Cb 0.55 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 3mhy h LEU 13 CO 0.00 0.12 0.26 0.44 -0.34 0.00 0.00 178.44 178.92 3mhy h ASP 14 N 0.33 0.47 -0.54 1.25 5.19 -1.84 0.49 116.42 121.76 3mhy h ASP 14 Ca 0.22 -0.03 -0.07 0.00 -0.62 0.00 0.00 57.03 56.53 3mhy h ASP 14 Cb 0.22 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.60 3mhy h ASP 14 CO -0.23 0.35 0.07 -0.33 -3.12 0.00 0.00 179.24 175.99 3mhy h GLU 15 N 0.53 0.91 -0.56 3.56 5.08 -1.78 -0.25 114.58 122.07 3mhy h GLU 15 Ca 0.15 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 3mhy h GLU 15 Cb -0.04 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 3mhy h GLU 15 CO -0.03 0.89 0.20 0.28 -1.00 0.00 0.00 179.01 179.35 3mhy h VAL 16 N 0.79 1.23 -0.38 3.13 2.07 -1.05 -1.19 116.25 120.85 3mhy h VAL 16 Ca 0.16 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 3mhy h VAL 16 Cb 0.43 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3mhy h VAL 16 CO 0.01 0.28 0.20 -0.09 0.02 0.00 0.00 177.57 177.99 3mhy h ARG 17 N 0.77 0.54 -0.70 1.57 1.12 -0.61 -1.84 114.38 115.23 3mhy h ARG 17 Ca 0.18 -0.07 0.06 0.00 -1.11 0.00 0.00 59.98 59.04 3mhy h ARG 17 Cb 0.23 -0.10 -0.05 0.00 -0.01 0.00 0.00 29.97 30.04 3mhy h ARG 17 CO -0.01 0.46 0.40 0.93 -3.11 0.00 0.00 179.97 178.64 3mhy h GLU 18 N 0.48 0.72 -0.58 0.20 5.08 -0.82 -0.27 114.58 119.39 3mhy h GLU 18 Ca 0.13 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.37 3mhy h GLU 18 Cb 0.09 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3mhy h GLU 18 CO -0.02 0.48 0.05 0.00 -1.00 0.00 0.00 179.01 178.52 3mhy h ALA 19 N 1.35 0.98 -0.10 3.43 0.00 -0.83 -2.36 119.26 121.73 3mhy h ALA 19 Ca 0.31 -0.28 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 3mhy h ALA 19 Cb 0.17 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3mhy h ALA 19 CO -0.17 0.63 -0.70 -0.07 0.00 0.00 0.00 179.25 178.94 3mhy h LEU 20 N 0.91 0.53 -1.11 0.00 3.38 -0.86 -3.10 115.31 115.06 3mhy h LEU 20 Ca 0.18 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3mhy h LEU 20 Cb 0.47 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 3mhy h LEU 20 CO 0.02 1.07 0.40 0.74 0.09 0.00 0.00 178.44 180.77 3mhy h THR 21 N 0.31 1.22 -0.24 0.22 2.02 -0.78 -1.80 112.91 113.85 3mhy h THR 21 Ca -0.03 -0.54 -0.02 0.00 0.77 0.00 0.00 66.41 66.59 3mhy h THR 21 Cb 1.28 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 3mhy h THR 21 CO 0.12 0.24 0.08 0.28 0.37 0.00 0.00 175.52 176.62 3mhy h SER 22 N 1.03 0.30 1.53 4.18 0.02 -1.36 -1.55 113.55 117.70 3mhy h SER 22 Ca 0.26 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 3mhy h SER 22 Cb 0.02 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.49 3mhy h SER 22 CO -0.04 0.30 0.00 -0.07 -1.14 0.00 0.00 176.83 175.87 3mhy h LEU 23 N 0.34 0.00 0.00 5.07 3.38 -1.33 -3.47 115.31 119.29 3mhy h LEU 23 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3mhy h LEU 23 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3mhy h LEU 23 CO -0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.13 3mhy n GLY 24 N 0.81 1.10 3.71 0.83 0.00 -0.58 -5.06 105.19 106.00 3mhy n GLY 24 Ca 0.03 -0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 3mhy n GLY 24 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3mhy n ILE 25 N -2.30 3.80 -0.38 -0.61 -5.35 -1.14 -4.91 119.36 108.47 3mhy n ILE 25 Ca 0.00 -0.50 0.10 0.00 -0.27 0.00 0.00 62.75 62.08 3mhy n ILE 25 Cb 0.13 -1.52 0.30 0.00 -1.74 0.00 0.00 39.64 36.80 3mhy n ILE 25 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3mhy n GLN 26 N -0.99 2.90 0.00 6.28 -0.00 -1.26 -4.89 117.38 119.42 3mhy n GLN 26 Ca 0.11 -2.59 0.00 0.00 -0.00 0.00 0.00 57.00 54.52 3mhy n GLN 26 Cb 0.45 -1.56 0.00 0.00 -0.00 0.00 0.00 30.24 29.12 3mhy n GLN 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3mhy n GLY 27 N 1.34 1.50 3.63 2.61 0.00 -1.26 -5.06 105.19 107.96 3mhy n GLY 27 Ca 0.22 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 3mhy n GLY 27 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3mhy s LEU 28 N 0.00 -0.66 -0.05 0.99 2.96 -1.26 -4.61 118.68 116.05 3mhy s LEU 28 Ca 0.00 1.23 0.04 0.00 -0.22 0.00 0.00 54.13 55.18 3mhy s LEU 28 Cb 0.00 2.23 -0.00 0.00 0.50 0.00 0.00 46.19 48.92 3mhy s LEU 28 CO 0.00 -0.21 -0.17 -0.89 -1.32 0.00 0.00 176.35 173.76 3mhy s THR 29 N 0.49 1.42 0.04 3.68 2.01 -0.47 -5.00 115.64 117.81 3mhy s THR 29 Ca -0.00 -0.70 0.05 0.00 0.31 0.00 0.00 61.69 61.35 3mhy s THR 29 Cb -0.05 -1.23 -0.02 0.00 0.01 0.00 0.00 72.50 71.21 3mhy s THR 29 CO -0.04 0.41 -0.15 0.68 -0.69 0.00 0.00 174.62 174.83 3mhy s VAL 30 N 0.16 1.21 0.05 3.82 -7.23 -1.26 -0.28 120.40 116.87 3mhy s VAL 30 Ca -0.07 -1.02 -0.03 0.00 -1.81 0.00 0.00 61.98 59.05 3mhy s VAL 30 Cb -0.13 -1.09 -0.03 0.00 0.56 0.00 0.00 36.38 35.70 3mhy s VAL 30 CO 0.03 0.05 0.04 -0.94 -0.31 0.00 0.00 175.10 173.97 3mhy s SER 31 N -1.11 0.34 -0.13 4.85 1.04 -0.32 -4.98 113.70 113.39 3mhy s SER 31 Ca 0.03 -0.82 -0.20 0.00 0.48 0.00 0.00 55.95 55.44 3mhy s SER 31 Cb -0.08 0.23 -0.04 0.00 0.10 0.00 0.00 66.02 66.23 3mhy s SER 31 CO 0.01 -0.60 0.57 -1.83 0.98 0.00 0.00 173.24 172.38 3mhy s GLU 32 N -3.55 4.33 0.31 4.02 1.03 -1.26 -1.01 118.70 122.58 3mhy s GLU 32 Ca 0.03 0.60 0.05 0.00 0.03 0.00 0.00 54.97 55.68 3mhy s GLU 32 Cb 0.05 -3.48 -0.03 0.00 -0.80 0.00 0.00 34.13 29.87 3mhy s GLU 32 CO -0.09 0.02 0.21 0.14 -1.33 0.00 0.00 175.26 174.22 3mhy s VAL 33 N 1.02 0.13 0.14 1.83 -7.23 -0.84 -4.93 120.40 110.53 3mhy s VAL 33 Ca 0.30 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.51 3mhy s VAL 33 Cb -0.16 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 3mhy s VAL 33 CO 0.12 0.00 -0.11 -0.54 -0.31 0.00 0.00 175.10 174.26 3mhy s LYS 34 N -3.67 1.05 0.12 4.82 1.02 -1.26 -1.17 119.74 120.65 3mhy s LYS 34 Ca 0.38 -1.40 -0.25 0.00 0.02 0.00 0.00 55.97 54.72 3mhy s LYS 34 Cb 0.04 -0.68 0.08 0.00 -0.52 0.00 0.00 37.83 36.75 3mhy s LYS 34 CO 0.22 0.10 1.09 0.20 -0.92 0.00 0.00 175.35 176.03 3mhy s GLY 35 N -2.99 -0.09 0.07 -3.33 0.00 -0.19 -4.87 107.32 95.91 3mhy s GLY 35 Ca 0.15 -0.00 -0.04 0.00 0.00 0.00 0.00 44.72 44.83 3mhy s GLY 35 CO 0.01 1.84 0.05 -0.11 0.00 0.00 0.00 173.10 174.89 3mhy s PHE 36 N -2.47 0.40 0.00 1.90 -0.12 -1.26 -1.06 117.98 115.37 3mhy s PHE 36 Ca 0.19 -0.91 0.00 0.00 -0.05 0.00 0.00 56.93 56.16 3mhy s PHE 36 Cb -0.01 -0.28 0.00 0.00 -0.63 0.00 0.00 43.02 42.10 3mhy s PHE 36 CO 0.02 -0.44 0.00 0.41 -0.05 0.00 0.00 175.22 175.16 3mhy n GLY 37 N 0.05 4.52 0.03 1.99 0.00 -1.26 -4.93 105.19 105.58 3mhy n GLY 37 Ca -0.14 -1.77 0.09 0.00 0.00 0.00 0.00 46.02 44.20 3mhy n GLY 37 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3mhy n ARG 38 N 0.00 0.05 -0.09 1.61 1.85 -1.26 -1.20 116.66 117.62 3mhy n ARG 38 Ca 0.00 0.23 0.11 0.00 -1.00 0.00 0.00 57.85 57.19 3mhy n ARG 38 Cb 0.00 -1.58 0.34 0.00 -1.05 0.00 0.00 32.46 30.17 3mhy n ARG 38 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 3mhy n GLN 39 N -1.66 1.94 -2.42 2.89 3.00 -1.26 -4.95 117.38 114.91 3mhy n GLN 39 Ca 0.04 -1.40 -0.21 0.00 -0.01 0.00 0.00 57.00 55.42 3mhy n GLN 39 Cb 0.23 -1.44 -0.01 0.00 0.00 0.00 0.00 30.24 29.02 3mhy n GLN 39 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 3mhy n LYS 40 N 0.64 -1.79 -1.02 -1.09 4.76 -0.34 -1.77 118.16 117.55 3mhy n LYS 40 Ca 0.17 1.01 -0.01 0.00 -2.87 0.00 0.00 58.31 56.61 3mhy n LYS 40 Cb 0.41 -5.69 -0.00 0.00 -1.84 0.00 0.00 35.03 27.91 3mhy n LYS 40 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3mhy n GLY 41 N -1.03 0.44 3.68 0.72 0.00 -1.25 -1.35 105.19 106.39 3mhy n GLY 41 Ca -0.24 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 3mhy n GLY 41 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3mhy s GLN 42 N -0.79 4.29 0.00 1.61 0.74 -0.73 -4.52 119.66 120.27 3mhy s GLN 42 Ca 0.00 1.83 0.00 0.00 0.05 0.00 0.00 55.36 57.24 3mhy s GLN 42 Cb 0.00 -3.62 0.00 0.00 1.10 0.00 0.00 33.01 30.49 3mhy s GLN 42 CO 0.00 -0.57 0.24 0.25 -0.55 0.00 0.00 175.29 174.67 3mhy n THR 43 N 4.81 0.00 -4.32 -0.34 -2.24 -1.26 -5.05 114.28 105.88 3mhy n THR 43 Ca 0.13 -0.35 -0.24 0.00 -2.27 0.00 0.00 64.05 61.31 3mhy n THR 43 Cb 0.45 1.20 -0.08 0.00 -2.10 0.00 0.00 70.33 69.80 3mhy n THR 43 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3mhy s GLU 44 N -0.22 2.10 -0.09 -0.78 2.02 -1.26 -5.06 118.70 115.41 3mhy s GLU 44 Ca 0.00 -1.70 0.14 0.00 0.02 0.00 0.00 54.97 53.43 3mhy s GLU 44 Cb 0.00 -1.96 0.21 0.00 0.10 0.00 0.00 34.13 32.48 3mhy s GLU 44 CO 0.00 0.16 1.10 0.44 0.02 0.00 0.00 175.26 176.98 3mhy n ILE 45 N -0.95 1.52 -1.19 -1.63 -5.35 -1.26 -4.89 119.36 105.60 3mhy n ILE 45 Ca -0.04 -1.80 -0.33 0.00 -0.27 0.00 0.00 62.75 60.31 3mhy n ILE 45 Cb 0.62 -0.03 0.11 0.00 -1.74 0.00 0.00 39.64 38.60 3mhy n ILE 45 CO 0.00 0.00 0.00 -0.72 -1.76 0.00 0.00 176.55 174.07 3mhy s TYR 46 N -2.24 2.05 0.16 4.28 -0.85 -1.26 -4.89 117.35 114.59 3mhy s TYR 46 Ca 0.23 1.65 -0.31 0.00 -0.52 0.00 0.00 57.07 58.12 3mhy s TYR 46 Cb 0.20 -3.33 -0.11 0.00 0.38 0.00 0.00 41.96 39.10 3mhy s TYR 46 CO 0.02 -2.46 1.73 -0.98 -1.52 0.00 0.00 175.55 172.35 3mhy s ARG 47 N -4.33 4.15 0.00 -3.49 1.04 -1.26 -1.69 118.95 113.36 3mhy s ARG 47 Ca 0.69 2.55 0.00 0.00 -1.04 0.00 0.00 55.73 57.93 3mhy s ARG 47 Cb -0.24 -3.30 0.00 0.00 -2.04 0.00 0.00 34.95 29.36 3mhy s ARG 47 CO 0.51 -0.76 0.00 0.41 -0.04 0.00 0.00 175.30 175.41 3mhy n GLY 48 N 4.04 0.76 0.29 3.88 0.00 -1.26 -4.95 105.19 107.95 3mhy n GLY 48 Ca 0.16 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.28 3mhy n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mhy h ALA 49 N 0.00 2.07 0.00 4.61 0.00 -1.67 -1.52 119.26 122.75 3mhy h ALA 49 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3mhy h ALA 49 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3mhy h ALA 49 CO 0.00 -0.11 0.00 -0.85 0.00 0.00 0.00 179.25 178.29 3mhy n GLU 50 N -4.50 0.01 0.00 0.00 0.00 -1.26 -1.73 120.64 113.15 3mhy n GLU 50 Ca 0.01 0.18 0.13 0.00 0.00 0.00 0.00 57.16 57.47 3mhy n GLU 50 Cb 0.20 -1.50 0.30 0.00 0.00 0.00 0.00 31.44 30.44 3mhy n GLU 50 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3mhy n TYR 51 N -1.49 0.00 -3.39 -1.84 0.53 -0.57 -4.92 117.16 105.47 3mhy n TYR 51 Ca 0.05 0.00 -0.26 0.00 -1.02 0.00 0.00 57.90 56.67 3mhy n TYR 51 Cb 0.21 -0.08 -0.02 0.00 -1.03 0.00 0.00 39.34 38.42 3mhy n TYR 51 CO 0.00 0.00 0.00 -1.12 -1.02 0.00 0.00 176.86 174.72 3mhy s SER 52 N -2.44 6.34 -0.06 7.72 0.01 -0.71 -5.11 113.70 119.46 3mhy s SER 52 Ca 0.24 0.52 0.01 0.00 1.31 0.00 0.00 55.95 58.03 3mhy s SER 52 Cb 0.19 -2.06 0.02 0.00 0.21 0.00 0.00 66.02 64.38 3mhy s SER 52 CO 0.51 -0.24 -0.06 -0.69 0.41 0.00 0.00 173.24 173.17 3mhy s VAL 53 N -2.21 0.69 0.05 3.43 1.01 -1.26 -4.83 120.40 117.29 3mhy s VAL 53 Ca 0.41 -0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.28 3mhy s VAL 53 Cb -0.10 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 3mhy s VAL 53 CO 0.34 0.28 -0.19 -0.44 0.00 0.00 0.00 175.10 175.08 3mhy s SER 54 N 1.14 2.31 -0.13 3.32 0.01 -0.46 -5.01 113.70 114.88 3mhy s SER 54 Ca -0.07 -0.54 -0.17 0.00 1.31 0.00 0.00 55.95 56.48 3mhy s SER 54 Cb -0.14 -0.17 -0.04 0.00 0.21 0.00 0.00 66.02 65.88 3mhy s SER 54 CO -0.01 0.11 0.43 -0.36 0.41 0.00 0.00 173.24 173.82 3mhy s PHE 55 N -0.88 3.50 0.06 2.43 0.40 -1.26 -3.85 117.98 118.38 3mhy s PHE 55 Ca 0.06 0.81 0.06 0.00 -0.60 0.00 0.00 56.93 57.26 3mhy s PHE 55 Cb -0.09 -2.49 -0.04 0.00 0.51 0.00 0.00 43.02 40.91 3mhy s PHE 55 CO 0.02 0.19 -0.12 -0.51 0.70 0.00 0.00 175.22 175.50 3mhy s LEU 56 N 0.56 2.92 0.22 -0.37 1.43 -0.22 -4.80 118.68 118.41 3mhy s LEU 56 Ca 0.23 -0.34 -0.31 0.00 -1.03 0.00 0.00 54.13 52.69 3mhy s LEU 56 Cb -0.15 -1.71 -0.10 0.00 0.03 0.00 0.00 46.19 44.26 3mhy s LEU 56 CO 0.09 0.23 1.50 -2.84 0.23 0.00 0.00 176.35 175.56 3mhy s PRO 57 N -1.73 4.24 0.21 1.29 0.02 -1.26 -1.02 135.00 136.74 3mhy s PRO 57 Ca 0.18 2.34 -0.00 0.00 0.02 0.00 0.00 61.00 63.54 3mhy s PRO 57 Cb -0.11 -3.12 -0.04 0.00 0.02 0.00 0.00 34.50 31.25 3mhy s PRO 57 CO 0.09 -0.51 0.14 0.15 -0.33 0.00 0.00 177.00 176.54 3mhy s LYS 58 N 0.22 1.24 -0.07 5.54 -0.14 -0.31 -4.57 119.74 121.64 3mhy s LYS 58 Ca 0.64 -1.66 0.05 0.00 -1.36 0.00 0.00 55.97 53.64 3mhy s LYS 58 Cb -0.43 0.24 -0.01 0.00 -1.68 0.00 0.00 37.83 35.96 3mhy s LYS 58 CO 0.39 -0.40 -0.23 0.08 -0.76 0.00 0.00 175.35 174.43 3mhy s VAL 59 N -4.10 2.23 -0.25 3.17 1.01 -0.60 -1.98 120.40 119.89 3mhy s VAL 59 Ca 0.39 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 3mhy s VAL 59 Cb 0.07 -1.84 -0.05 0.00 0.00 0.00 0.00 36.38 34.56 3mhy s VAL 59 CO 0.13 0.56 0.19 -0.75 0.00 0.00 0.00 175.10 175.23 3mhy s LYS 60 N -0.03 4.05 -0.15 2.72 2.20 -0.18 -1.35 119.74 127.00 3mhy s LYS 60 Ca -0.07 -0.24 -0.04 0.00 -0.36 0.00 0.00 55.97 55.27 3mhy s LYS 60 Cb -0.15 -3.57 -0.03 0.00 -1.51 0.00 0.00 37.83 32.58 3mhy s LYS 60 CO 0.05 -0.00 -0.02 0.08 -0.36 0.00 0.00 175.35 175.10 3mhy s VAL 61 N 1.24 4.07 -0.11 4.02 1.01 0.48 -1.17 120.40 129.94 3mhy s VAL 61 Ca 0.08 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.78 3mhy s VAL 61 Cb -0.14 -2.78 0.02 0.00 0.00 0.00 0.00 36.38 33.47 3mhy s VAL 61 CO 0.06 0.50 -0.14 -1.61 0.00 0.00 0.00 175.10 173.91 3mhy s GLU 62 N 0.20 2.15 -0.13 2.72 2.02 0.61 -0.42 118.70 125.85 3mhy s GLU 62 Ca -0.01 -0.53 -0.00 0.00 0.02 0.00 0.00 54.97 54.45 3mhy s GLU 62 Cb -0.13 -1.86 0.02 0.00 0.10 0.00 0.00 34.13 32.25 3mhy s GLU 62 CO 0.02 -0.09 -0.11 0.08 0.02 0.00 0.00 175.26 175.18 3mhy s VAL 63 N 1.08 1.27 -0.16 2.63 1.01 -0.04 -1.37 120.40 124.81 3mhy s VAL 63 Ca -0.05 -0.44 -0.20 0.00 0.00 0.00 0.00 61.98 61.29 3mhy s VAL 63 Cb -0.15 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 3mhy s VAL 63 CO -0.03 0.41 0.58 0.00 0.00 0.00 0.00 175.10 176.06 3mhy s ALA 64 N 1.60 3.50 0.10 5.51 0.00 -1.26 -0.56 121.76 130.65 3mhy s ALA 64 Ca 0.05 -0.23 -0.10 0.00 0.00 0.00 0.00 51.96 51.67 3mhy s ALA 64 Cb -0.13 -2.86 0.01 0.00 0.00 0.00 0.00 23.12 20.14 3mhy s ALA 64 CO -0.09 -0.35 0.23 0.54 0.00 0.00 0.00 175.76 176.09 3mhy s VAL 65 N 1.43 0.13 0.80 0.00 0.11 -0.08 -4.80 120.40 117.99 3mhy s VAL 65 Ca 0.28 -1.05 -0.11 0.00 -2.93 0.00 0.00 61.98 58.17 3mhy s VAL 65 Cb -0.16 -1.30 0.07 0.00 -1.53 0.00 0.00 36.38 33.46 3mhy s VAL 65 CO 0.11 -0.58 1.09 -0.94 -3.33 0.00 0.00 175.10 171.45 3mhy s SER 66 N -2.85 4.39 0.40 3.54 1.04 -1.26 -1.00 113.70 117.96 3mhy s SER 66 Ca 0.05 1.53 0.07 0.00 0.48 0.00 0.00 55.95 58.08 3mhy s SER 66 Cb 0.04 -2.27 0.83 0.00 0.10 0.00 0.00 66.02 64.72 3mhy s SER 66 CO -0.11 -2.06 2.03 0.44 0.98 0.00 0.00 173.24 174.51 3mhy h ASP 67 N -1.15 0.53 -0.10 7.02 3.32 -1.95 -1.87 116.42 122.22 3mhy h ASP 67 Ca -0.46 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.58 3mhy h ASP 67 Cb 1.25 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.68 3mhy h ASP 67 CO 0.56 0.37 0.00 -0.90 -1.72 0.00 0.00 179.24 177.55 3mhy n ASP 68 N -4.47 0.91 0.00 6.45 3.85 -1.26 -3.63 116.55 118.40 3mhy n ASP 68 Ca 0.06 -1.62 0.00 0.00 -0.71 0.00 0.00 54.79 52.52 3mhy n ASP 68 Cb 0.12 -0.06 0.00 0.00 -1.35 0.00 0.00 41.12 39.82 3mhy n ASP 68 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3mhy n GLN 69 N -0.17 3.01 0.05 0.11 6.02 -0.77 -4.83 117.38 120.80 3mhy n GLN 69 Ca 0.14 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 57.11 3mhy n GLN 69 Cb 0.20 -0.74 0.24 0.00 1.02 0.00 0.00 30.24 30.96 3mhy n GLN 69 CO 0.00 0.00 0.00 0.10 -1.01 0.00 0.00 177.06 176.15 3mhy h TYR 70 N 0.00 0.42 -0.52 1.08 -0.00 -1.44 -2.27 116.97 114.23 3mhy h TYR 70 Ca 0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 58.73 58.55 3mhy h TYR 70 Cb 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 36.73 36.61 3mhy h TYR 70 CO 0.00 0.61 -0.05 0.93 -0.00 0.00 0.00 178.16 179.65 3mhy h GLU 71 N 0.34 0.93 -0.14 0.10 5.08 -1.88 -0.37 114.58 118.64 3mhy h GLU 71 Ca 0.05 -0.30 -0.12 0.00 -1.00 0.00 0.00 59.36 57.99 3mhy h GLU 71 Cb 0.64 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 3mhy h GLU 71 CO 0.05 0.96 -0.43 1.96 -1.00 0.00 0.00 179.01 180.55 3mhy h GLN 72 N 0.85 0.34 -0.30 2.33 7.50 -1.81 -1.59 115.11 122.43 3mhy h GLN 72 Ca 0.15 -0.17 -0.04 0.00 0.50 0.00 0.00 58.65 59.08 3mhy h GLN 72 Cb 0.58 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.10 3mhy h GLN 72 CO 0.03 0.71 0.02 0.28 -1.50 0.00 0.00 178.83 178.37 3mhy h VAL 73 N 0.28 1.25 -0.48 -0.54 2.07 -0.93 -0.49 116.25 117.41 3mhy h VAL 73 Ca 0.02 -0.89 0.01 0.00 0.82 0.00 0.00 66.70 66.67 3mhy h VAL 73 Cb 0.87 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 3mhy h VAL 73 CO 0.07 0.29 0.30 0.58 0.02 0.00 0.00 177.57 178.83 3mhy h VAL 74 N 0.32 1.09 -0.57 2.57 2.07 -0.91 -1.77 116.25 119.04 3mhy h VAL 74 Ca 0.09 -0.21 -0.07 0.00 0.82 0.00 0.00 66.70 67.33 3mhy h VAL 74 Cb 0.40 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 3mhy h VAL 74 CO 0.01 0.11 0.09 -0.33 0.02 0.00 0.00 177.57 177.47 3mhy h GLU 75 N 0.62 0.92 -0.61 1.57 3.07 -1.15 -1.64 114.58 117.35 3mhy h GLU 75 Ca 0.18 -0.22 -0.07 0.00 -0.50 0.00 0.00 59.36 58.74 3mhy h GLU 75 Cb -0.03 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.73 3mhy h GLU 75 CO -0.06 0.86 0.09 0.00 -1.40 0.00 0.00 179.01 178.49 3mhy h ALA 76 N 1.22 0.81 -0.30 3.43 0.00 -0.72 -0.98 119.26 122.71 3mhy h ALA 76 Ca 0.18 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3mhy h ALA 76 Cb 0.39 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3mhy h ALA 76 CO 0.01 0.57 -0.00 0.82 0.00 0.00 0.00 179.25 180.65 3mhy h ILE 77 N 0.92 1.26 -0.23 0.00 2.04 -1.09 -1.21 117.51 119.19 3mhy h ILE 77 Ca 0.18 -0.95 0.06 0.00 1.00 0.00 0.00 64.86 65.15 3mhy h ILE 77 Cb 0.44 1.28 -0.06 0.00 -0.74 0.00 0.00 36.82 37.74 3mhy h ILE 77 CO 0.01 0.31 -0.15 1.56 0.00 0.00 0.00 178.15 179.88 3mhy h GLN 78 N 0.33 -0.13 -0.40 2.37 4.20 -1.13 -0.72 115.11 119.62 3mhy h GLN 78 Ca 0.09 0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.72 3mhy h GLN 78 Cb 0.44 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 3mhy h GLN 78 CO 0.02 -0.09 -0.08 0.87 -0.67 0.00 0.00 178.83 178.88 3mhy h LYS 79 N -0.14 0.70 -0.14 1.46 1.57 -1.02 -0.70 116.57 118.30 3mhy h LYS 79 Ca 0.13 -0.21 -0.22 0.00 -1.87 0.00 0.00 60.65 58.48 3mhy h LYS 79 Cb 0.33 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.58 3mhy h LYS 79 CO -0.31 0.77 -0.77 0.00 -0.57 0.00 0.00 179.45 178.56 3mhy h ALA 80 N 1.27 0.36 0.00 3.86 0.00 -0.94 -3.35 119.26 120.47 3mhy h ALA 80 Ca 0.12 -0.60 -0.13 0.00 0.00 0.00 0.00 54.91 54.29 3mhy h ALA 80 Cb 0.52 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3mhy h ALA 80 CO 0.03 0.70 -1.37 0.00 0.00 0.00 0.00 179.25 178.61 3mhy n ALA 81 N -2.59 2.06 -2.31 0.00 0.00 -0.30 -4.82 120.51 112.55 3mhy n ALA 81 Ca -0.07 -0.50 -0.43 0.00 0.00 0.00 0.00 53.44 52.45 3mhy n ALA 81 Cb 0.74 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 19.20 3mhy n ALA 81 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3mhy s ASN 82 N -5.66 6.56 0.00 0.00 2.47 -0.28 -4.81 114.94 113.21 3mhy s ASN 82 Ca -0.03 1.35 0.02 0.00 0.42 0.00 0.00 52.86 54.62 3mhy s ASN 82 Cb 0.09 -2.54 0.05 0.00 -1.45 0.00 0.00 41.25 37.40 3mhy s ASN 82 CO 0.81 -1.15 0.94 0.35 -3.72 0.00 0.00 177.10 174.32 3mhy n THR 83 N 6.30 0.76 -1.05 -5.21 -2.24 -1.26 -4.97 114.28 106.61 3mhy n THR 83 Ca 0.16 -0.88 -0.01 0.00 -2.27 0.00 0.00 64.05 61.05 3mhy n THR 83 Cb 0.46 0.63 -0.00 0.00 -2.10 0.00 0.00 70.33 69.32 3mhy n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mhy n GLY 84 N -0.19 0.46 3.41 3.38 0.00 -1.26 -5.04 105.19 105.95 3mhy n GLY 84 Ca 0.02 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 3mhy n GLY 84 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mhy s ARG 85 N -2.12 1.72 0.46 1.61 0.52 -1.26 -5.10 118.95 114.78 3mhy s ARG 85 Ca 0.00 -1.18 -0.24 0.00 -0.52 0.00 0.00 55.73 53.78 3mhy s ARG 85 Cb 0.00 -2.02 -0.08 0.00 0.52 0.00 0.00 34.95 33.37 3mhy s ARG 85 CO 0.00 0.49 1.35 0.44 0.02 0.00 0.00 175.30 177.60 3mhy n ILE 86 N 1.23 2.93 -0.54 1.52 -5.35 -1.26 -2.31 119.36 115.58 3mhy n ILE 86 Ca -0.17 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.81 3mhy n ILE 86 Cb 0.52 -1.69 0.00 0.00 -1.74 0.00 0.00 39.64 36.73 3mhy n ILE 86 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3mhy n GLY 87 N 0.72 0.77 0.21 3.28 0.00 -1.26 -4.93 105.19 103.98 3mhy n GLY 87 Ca 0.07 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.24 3mhy n GLY 87 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3mhy h ASP 88 N 0.00 0.00 -4.36 1.61 3.32 -1.80 -3.39 116.42 111.80 3mhy h ASP 88 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3mhy h ASP 88 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3mhy h ASP 88 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 3mhy n GLY 89 N -0.58 1.88 3.06 2.75 0.00 -1.26 -4.53 105.19 106.51 3mhy n GLY 89 Ca -0.00 -1.99 -0.12 0.00 0.00 0.00 0.00 46.02 43.91 3mhy n GLY 89 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3mhy s LYS 90 N -1.45 0.34 -0.08 1.61 2.20 -0.99 -5.00 119.74 116.38 3mhy s LYS 90 Ca 0.00 -0.16 0.05 0.00 -0.36 0.00 0.00 55.97 55.50 3mhy s LYS 90 Cb 0.00 0.15 -0.00 0.00 -1.51 0.00 0.00 37.83 36.46 3mhy s LYS 90 CO 0.00 -0.07 -0.23 0.42 -0.36 0.00 0.00 175.35 175.11 3mhy s ILE 91 N -0.78 1.94 -0.07 5.43 1.01 -1.26 -1.10 121.20 126.38 3mhy s ILE 91 Ca -0.09 -0.97 0.04 0.00 0.00 0.00 0.00 60.65 59.63 3mhy s ILE 91 Cb -0.05 -1.67 0.00 0.00 0.01 0.00 0.00 42.46 40.75 3mhy s ILE 91 CO 0.01 0.54 -0.19 -0.36 0.00 0.00 0.00 174.94 174.93 3mhy s PHE 92 N 0.17 2.00 -0.20 3.97 0.08 0.11 -4.99 117.98 119.12 3mhy s PHE 92 Ca -0.12 -0.69 -0.05 0.00 0.12 0.00 0.00 56.93 56.19 3mhy s PHE 92 Cb -0.16 -1.36 -0.02 0.00 -0.57 0.00 0.00 43.02 40.91 3mhy s PHE 92 CO 0.06 -0.27 -0.01 0.08 -0.10 0.00 0.00 175.22 174.98 3mhy s VAL 93 N 0.24 3.86 0.27 -0.44 1.01 -1.26 -0.42 120.40 123.68 3mhy s VAL 93 Ca -0.11 -0.34 0.10 0.00 0.00 0.00 0.00 61.98 61.63 3mhy s VAL 93 Cb -0.15 -2.74 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 3mhy s VAL 93 CO 0.05 0.43 -0.08 -0.76 0.00 0.00 0.00 175.10 174.75 3mhy s LEU 94 N 0.98 2.96 0.10 3.92 1.02 -0.02 -4.96 118.68 122.67 3mhy s LEU 94 Ca 0.01 -0.80 -0.13 0.00 0.02 0.00 0.00 54.13 53.23 3mhy s LEU 94 Cb -0.14 -1.48 -0.06 0.00 0.02 0.00 0.00 46.19 44.53 3mhy s LEU 94 CO 0.01 0.01 0.48 -1.81 0.02 0.00 0.00 176.35 175.06 3mhy s ASP 95 N -3.61 6.78 -0.23 2.29 1.01 -1.26 -0.22 116.67 121.42 3mhy s ASP 95 Ca 0.31 0.97 -0.07 0.00 0.71 0.00 0.00 52.55 54.48 3mhy s ASP 95 Cb -0.06 -2.25 -0.03 0.00 1.01 0.00 0.00 42.92 41.59 3mhy s ASP 95 CO 0.18 0.17 0.05 -0.63 0.21 0.00 0.00 175.17 175.15 3mhy s ILE 96 N -1.36 4.28 0.08 0.77 1.01 -0.44 -4.77 121.20 120.76 3mhy s ILE 96 Ca 0.33 -0.19 -0.14 0.00 0.00 0.00 0.00 60.65 60.65 3mhy s ILE 96 Cb -0.15 -2.98 -0.21 0.00 0.01 0.00 0.00 42.46 39.13 3mhy s ILE 96 CO 0.18 0.37 1.22 0.00 0.00 0.00 0.00 174.94 176.71 3mhy h ALA 97 N 7.88 0.18 -2.50 9.38 0.00 -1.98 -3.38 119.26 128.84 3mhy h ALA 97 Ca -0.38 -0.65 -0.09 0.00 0.00 0.00 0.00 54.91 53.79 3mhy h ALA 97 Cb 1.18 0.03 -0.18 0.00 0.00 0.00 0.00 17.79 18.82 3mhy h ALA 97 CO 0.60 0.64 -0.19 -0.65 0.00 0.00 0.00 179.25 179.66 3mhy s GLN 98 N -3.45 0.82 0.02 0.00 -1.52 -1.26 -5.04 119.66 109.22 3mhy s GLN 98 Ca -0.10 -0.33 0.00 0.00 -1.95 0.00 0.00 55.36 52.97 3mhy s GLN 98 Cb 0.07 0.36 -0.02 0.00 -0.22 0.00 0.00 33.01 33.20 3mhy s GLN 98 CO 0.91 -0.26 -0.03 0.00 -0.25 0.00 0.00 175.29 175.66 3mhy s ALA 99 N -2.12 0.13 -0.07 6.09 0.00 -1.26 -4.93 121.76 119.60 3mhy s ALA 99 Ca -0.08 -0.56 -0.03 0.00 0.00 0.00 0.00 51.96 51.29 3mhy s ALA 99 Cb -0.02 0.14 0.04 0.00 0.00 0.00 0.00 23.12 23.28 3mhy s ALA 99 CO -0.00 -0.15 0.14 0.08 0.00 0.00 0.00 175.76 175.83 3mhy s VAL 100 N -1.38 -0.11 -0.31 0.00 1.01 -1.26 -0.27 120.40 118.09 3mhy s VAL 100 Ca -0.15 0.23 -0.26 0.00 0.00 0.00 0.00 61.98 61.81 3mhy s VAL 100 Cb -0.09 -0.24 0.01 0.00 0.00 0.00 0.00 36.38 36.05 3mhy s VAL 100 CO -0.01 0.10 0.90 -0.60 0.00 0.00 0.00 175.10 175.49 3mhy s ARG 101 N 1.48 4.01 0.20 2.72 3.52 -0.24 -4.96 118.95 125.69 3mhy s ARG 101 Ca -0.06 0.79 -0.11 0.00 -0.13 0.00 0.00 55.73 56.23 3mhy s ARG 101 Cb -0.12 -3.73 0.16 0.00 -1.56 0.00 0.00 34.95 29.71 3mhy s ARG 101 CO -0.06 -0.75 1.86 0.82 -0.81 0.00 0.00 175.30 176.36 3mhy h ILE 102 N 5.64 1.15 0.00 4.11 2.04 -1.97 0.40 117.51 128.87 3mhy h ILE 102 Ca -0.23 -0.32 -0.09 0.00 1.00 0.00 0.00 64.86 65.23 3mhy h ILE 102 Cb 1.08 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 3mhy h ILE 102 CO 0.94 0.17 -0.41 -0.09 0.00 0.00 0.00 178.15 178.76 3mhy h ARG 103 N 0.92 0.00 0.00 2.37 2.43 -1.98 -3.33 114.38 114.80 3mhy h ARG 103 Ca 0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 3mhy h ARG 103 Cb -0.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3mhy h ARG 103 CO -0.08 0.41 -1.10 0.25 -1.51 0.00 0.00 179.97 177.94 3mhy n THR 104 N -3.93 0.00 -0.95 0.20 -2.24 -1.10 -5.00 114.28 101.26 3mhy n THR 104 Ca -0.01 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 3mhy n THR 104 Cb 0.45 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 69.14 3mhy n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mhy n GLY 105 N 2.20 0.62 3.76 3.38 0.00 0.11 -5.01 105.19 110.25 3mhy n GLY 105 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3mhy n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mhy s GLU 106 N -0.27 3.58 0.17 1.61 2.02 -1.25 -4.78 118.70 119.77 3mhy s GLU 106 Ca 0.00 2.20 0.08 0.00 0.02 0.00 0.00 54.97 57.27 3mhy s GLU 106 Cb 0.00 -2.51 -0.04 0.00 0.10 0.00 0.00 34.13 31.68 3mhy s GLU 106 CO 0.00 -0.83 -0.17 0.95 0.02 0.00 0.00 175.26 175.24 3mhy s THR 107 N -1.30 1.71 0.00 3.63 -4.23 -1.26 -1.08 115.64 113.11 3mhy s THR 107 Ca 0.64 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 59.20 3mhy s THR 107 Cb -0.39 -1.83 0.00 0.00 1.34 0.00 0.00 72.50 71.62 3mhy s THR 107 CO 0.49 -0.40 0.00 0.59 -0.54 0.00 0.00 174.62 174.76 3mhy n ASN 108 N 0.19 0.00 0.24 3.99 3.02 0.62 -2.25 115.26 121.08 3mhy n ASN 108 Ca -0.12 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.52 3mhy n ASN 108 Cb 0.58 0.00 0.61 0.00 -0.61 0.00 0.00 39.78 40.36 3mhy n ASN 108 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3mhy h THR 109 N 0.00 0.84 0.00 3.41 1.35 -1.97 0.14 112.91 116.68 3mhy h THR 109 Ca 0.00 -0.63 -0.07 0.00 -0.55 0.00 0.00 66.41 65.16 3mhy h THR 109 Cb 0.00 1.37 -0.01 0.00 -1.73 0.00 0.00 68.15 67.78 3mhy h THR 109 CO 0.00 0.16 -0.35 -0.33 -0.25 0.00 0.00 175.52 174.75 3mhy h GLU 110 N 0.00 0.00 0.00 4.72 5.08 -1.83 -3.27 114.58 119.28 3mhy h GLU 110 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3mhy h GLU 110 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3mhy h GLU 110 CO 0.02 0.35 -0.55 0.00 -1.00 0.00 0.00 179.01 177.83 3mhy n ALA 111 N -2.34 3.10 1.26 3.43 0.00 0.49 -4.86 120.51 121.59 3mhy n ALA 111 Ca -0.01 -0.27 0.10 0.00 0.00 0.00 0.00 53.44 53.26 3mhy n ALA 111 Cb 0.45 -1.17 0.60 0.00 0.00 0.00 0.00 19.45 19.33 3mhy n ALA 111 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78