#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hye n THR 5 N 0.00-12.24 -1.51 1.12 -1.04 -1.26 -4.68 114.28 94.66 3hye n THR 5 Ca 0.00 2.98 -0.47 0.00 -2.04 0.00 0.00 64.05 64.53 3hye n THR 5 Cb 0.00 -5.30 -0.05 0.00 -1.82 0.00 0.00 70.33 63.16 3hye n THR 5 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3hye n ASP 6 N 1.66 2.59 -1.19 8.00 4.64 -1.26 -4.76 116.55 126.23 3hye n ASP 6 Ca 0.00 0.28 0.11 0.00 -1.38 0.00 0.00 54.79 53.80 3hye n ASP 6 Cb 0.00 -1.40 0.28 0.00 -1.04 0.00 0.00 41.12 38.97 3hye n ASP 6 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3hye n ARG 7 N 8.48 2.52 -2.60 -0.67 1.74 -1.26 -4.66 116.66 120.21 3hye n ARG 7 Ca 0.37 -2.34 -0.43 0.00 -0.77 0.00 0.00 57.85 54.68 3hye n ARG 7 Cb 0.33 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 3hye n ARG 7 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3hye n TYR 8 N 1.44 3.69 -0.01 -1.55 4.01 -1.26 -4.72 117.16 118.75 3hye n TYR 8 Ca 0.21 -3.01 0.10 0.00 -0.16 0.00 0.00 57.90 55.05 3hye n TYR 8 Cb 0.57 -2.00 0.28 0.00 -0.31 0.00 0.00 39.34 37.88 3hye n TYR 8 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3hye n SER 9 N 4.39 3.41 -4.73 7.72 3.41 -1.26 -1.25 113.62 125.31 3hye n SER 9 Ca 0.38 -2.03 -0.22 0.00 -0.26 0.00 0.00 58.87 56.73 3hye n SER 9 Cb 0.38 -0.43 -0.06 0.00 -0.26 0.00 0.00 64.21 63.85 3hye n SER 9 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3hye s PHE 10 N -1.22 2.89 0.46 7.33 -0.12 -1.26 -4.48 117.98 121.58 3hye s PHE 10 Ca 0.42 -0.17 -0.23 0.00 -0.05 0.00 0.00 56.93 56.89 3hye s PHE 10 Cb 0.22 -1.30 -0.07 0.00 -0.63 0.00 0.00 43.02 41.24 3hye s PHE 10 CO 0.28 0.57 1.21 -1.12 -0.05 0.00 0.00 175.22 176.11 3hye s SER 11 N -3.76 6.10 0.00 1.98 0.01 -1.26 -1.49 113.70 115.28 3hye s SER 11 Ca 0.32 2.43 0.17 0.00 1.31 0.00 0.00 55.95 60.18 3hye s SER 11 Cb -0.07 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.52 3hye s SER 11 CO 0.22 -0.97 0.85 0.18 0.41 0.00 0.00 173.24 173.93 3hye n LEU 12 N -0.40 1.55 -4.10 2.44 4.77 -1.26 -4.82 117.00 115.18 3hye n LEU 12 Ca 0.07 -0.73 -0.33 0.00 -0.03 0.00 0.00 56.01 54.99 3hye n LEU 12 Cb 0.47 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.40 3hye n LEU 12 CO 0.50 0.30 -0.48 -0.89 -1.33 0.00 0.00 177.39 175.49 3hye s THR 13 N -2.02 2.19 0.27 -5.08 2.01 -1.26 -4.85 115.64 106.90 3hye s THR 13 Ca 0.13 -1.29 0.02 0.00 0.31 0.00 0.00 61.69 60.86 3hye s THR 13 Cb 0.13 -2.12 -0.05 0.00 0.01 0.00 0.00 72.50 70.46 3hye s THR 13 CO 0.45 0.23 0.09 0.42 -0.69 0.00 0.00 174.62 175.11 3hye s THR 14 N 1.20 0.70 0.15 -0.82 -4.23 -1.26 -4.85 115.64 106.53 3hye s THR 14 Ca -0.02 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 58.20 3hye s THR 14 Cb -0.17 -2.67 -0.07 0.00 1.34 0.00 0.00 72.50 70.93 3hye s THR 14 CO -0.08 -0.00 0.90 -0.36 -0.54 0.00 0.00 174.62 174.53 3hye s PHE 15 N -3.65 3.87 0.47 3.99 0.08 -1.26 -4.13 117.98 117.35 3hye s PHE 15 Ca 0.37 1.76 0.02 0.00 0.12 0.00 0.00 56.93 59.20 3hye s PHE 15 Cb 0.08 -2.95 0.01 0.00 -0.57 0.00 0.00 43.02 39.59 3hye s PHE 15 CO 0.14 0.34 0.68 -1.54 -0.10 0.00 0.00 175.22 174.74 3hye s SER 16 N -0.55 5.67 0.45 1.36 1.04 -0.61 -4.93 113.70 116.13 3hye s SER 16 Ca 0.42 0.11 0.23 0.00 0.48 0.00 0.00 55.95 57.19 3hye s SER 16 Cb -0.24 -1.26 1.23 0.00 0.10 0.00 0.00 66.02 65.86 3hye s SER 16 CO 0.29 -0.81 1.81 -0.65 0.98 0.00 0.00 173.24 174.86 3hye h PRO 17 N 0.37 0.26 0.00 4.02 0.11 -1.97 0.39 132.00 135.17 3hye h PRO 17 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3hye h PRO 17 Cb 1.27 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3hye h PRO 17 CO 0.55 0.18 0.00 0.66 -0.21 0.00 0.00 178.00 179.17 3hye h SER 18 N 0.27 0.00 0.00 -2.05 4.64 -2.03 -3.46 113.55 110.92 3hye h SER 18 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 3hye h SER 18 Cb 1.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.69 3hye h SER 18 CO -0.18 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.39 3hye n GLY 19 N 0.78 0.79 3.85 -0.77 0.00 0.14 -5.08 105.19 104.90 3hye n GLY 19 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 3hye n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hye s LYS 20 N -0.94 3.91 -0.78 1.61 -0.14 -1.26 -4.74 119.74 117.41 3hye s LYS 20 Ca 0.00 0.90 -0.03 0.00 -1.36 0.00 0.00 55.97 55.49 3hye s LYS 20 Cb 0.00 -2.15 0.19 0.00 -1.68 0.00 0.00 37.83 34.19 3hye s LYS 20 CO 0.00 -0.27 0.63 -0.51 -0.76 0.00 0.00 175.35 174.44 3hye s LEU 21 N -4.13 5.48 0.05 3.17 1.43 -1.26 -1.57 118.68 121.84 3hye s LEU 21 Ca 0.58 -3.31 -0.10 0.00 -1.03 0.00 0.00 54.13 50.28 3hye s LEU 21 Cb -0.10 -1.90 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 3hye s LEU 21 CO 0.33 -0.28 0.62 0.61 0.23 0.00 0.00 176.35 177.86 3hye n GLY 22 N 2.90 -1.23 0.32 -3.19 0.00 -1.26 -0.40 105.19 102.32 3hye n GLY 22 Ca 0.15 0.45 0.10 0.00 0.00 0.00 0.00 46.02 46.73 3hye n GLY 22 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3hye h GLN 23 N 0.00 0.21 -0.11 1.61 1.08 -1.89 0.48 115.11 116.49 3hye h GLN 23 Ca 0.05 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.21 3hye h GLN 23 Cb 0.13 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.51 3hye h GLN 23 CO -0.30 0.14 -0.04 0.82 -0.95 0.00 0.00 178.83 178.50 3hye h ILE 24 N 0.22 1.31 0.02 2.54 5.03 -1.13 -0.56 117.51 124.94 3hye h ILE 24 Ca 0.15 -1.03 0.03 0.00 -0.12 0.00 0.00 64.86 63.88 3hye h ILE 24 Cb 0.31 1.76 -0.04 0.00 -3.03 0.00 0.00 36.82 35.81 3hye h ILE 24 CO -0.03 0.30 -0.25 0.44 -0.68 0.00 0.00 178.15 177.93 3hye h ASP 25 N -0.11 -0.73 -0.92 1.72 3.45 -0.89 0.75 116.42 119.69 3hye h ASP 25 Ca 0.03 0.10 0.02 0.00 0.43 0.00 0.00 57.03 57.61 3hye h ASP 25 Cb 0.48 0.29 -0.05 0.00 -0.56 0.00 0.00 39.33 39.50 3hye h ASP 25 CO 0.01 -0.32 0.61 1.88 -1.57 0.00 0.00 179.24 179.85 3hye h TYR 26 N -0.40 1.14 -0.50 4.55 0.05 -0.91 -0.86 116.97 120.05 3hye h TYR 26 Ca 0.06 0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.88 3hye h TYR 26 Cb 0.47 -0.38 -0.03 0.00 1.01 0.00 0.00 36.73 37.80 3hye h TYR 26 CO -0.28 0.69 0.31 0.00 -1.05 0.00 0.00 178.16 177.83 3hye h ALA 27 N 1.36 0.63 -0.47 3.88 0.00 -0.42 -1.30 119.26 122.94 3hye h ALA 27 Ca 0.35 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.27 3hye h ALA 27 Cb -0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3hye h ALA 27 CO -0.10 0.03 0.31 -0.07 0.00 0.00 0.00 179.25 179.42 3hye h LEU 28 N 0.63 0.46 -0.78 0.00 3.38 0.42 -0.34 115.31 119.08 3hye h LEU 28 Ca 0.19 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.06 3hye h LEU 28 Cb -0.02 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3hye h LEU 28 CO -0.07 0.32 -0.14 0.74 0.09 0.00 0.00 178.44 179.38 3hye h THR 29 N 0.53 1.26 -0.63 0.22 2.02 -0.15 -1.02 112.91 115.15 3hye h THR 29 Ca 0.19 -1.21 -0.06 0.00 0.77 0.00 0.00 66.41 66.10 3hye h THR 29 Cb 0.09 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 3hye h THR 29 CO -0.05 0.41 0.16 0.00 0.37 0.00 0.00 175.52 176.42 3hye h ALA 30 N 1.14 1.09 -0.72 6.16 0.00 -0.11 -2.28 119.26 124.55 3hye h ALA 30 Ca 0.11 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3hye h ALA 30 Cb 0.62 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3hye h ALA 30 CO 0.04 0.61 0.25 0.28 0.00 0.00 0.00 179.25 180.43 3hye h VAL 31 N 0.94 1.25 -0.88 0.00 2.07 -0.55 -2.82 116.25 116.27 3hye h VAL 31 Ca 0.20 -0.85 0.03 0.00 0.82 0.00 0.00 66.70 66.90 3hye h VAL 31 Cb 0.32 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 3hye h VAL 31 CO -0.00 0.34 0.58 0.11 0.02 0.00 0.00 177.57 178.62 3hye h LYS 32 N 1.06 1.09 0.00 1.57 1.79 -0.64 -1.14 116.57 120.30 3hye h LYS 32 Ca 0.24 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 3hye h LYS 32 Cb 0.27 -0.24 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 3hye h LYS 32 CO -0.01 0.72 0.00 1.96 -1.08 0.00 0.00 179.45 181.04 3hye h GLN 33 N 1.12 0.00 -7.26 3.15 1.08 -1.24 -1.44 115.11 110.52 3hye h GLN 33 Ca 0.35 0.00 -0.51 0.00 -1.45 0.00 0.00 58.65 57.03 3hye h GLN 33 Cb -0.00 0.00 0.13 0.00 -0.05 0.00 0.00 27.48 27.55 3hye h GLN 33 CO -0.10 0.00 0.34 0.20 -0.95 0.00 0.00 178.83 178.32 3hye s GLY 34 N -3.69 1.91 0.58 3.46 0.00 -0.43 -4.69 107.32 104.46 3hye s GLY 34 Ca 0.06 0.44 -0.20 0.00 0.00 0.00 0.00 44.72 45.02 3hye s GLY 34 CO 0.49 0.80 1.27 -0.62 0.00 0.00 0.00 173.10 175.04 3hye n VAL 35 N -3.08 4.12 -2.27 1.40 0.31 -1.26 -0.19 118.33 117.36 3hye n VAL 35 Ca 0.10 -0.50 -0.38 0.00 -0.01 0.00 0.00 64.34 63.55 3hye n VAL 35 Cb 0.52 -1.52 -0.02 0.00 -0.91 0.00 0.00 33.84 31.92 3hye n VAL 35 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3hye s THR 36 N -1.35 3.11 -0.01 2.52 2.01 -1.26 -4.43 115.64 116.22 3hye s THR 36 Ca 0.75 0.92 -0.09 0.00 0.31 0.00 0.00 61.69 63.59 3hye s THR 36 Cb -0.41 -3.51 0.01 0.00 0.01 0.00 0.00 72.50 68.59 3hye s THR 36 CO 0.46 0.08 0.17 -0.94 -0.69 0.00 0.00 174.62 173.70 3hye s SER 37 N -1.13 -0.04 0.22 3.53 1.04 -0.74 -3.71 113.70 112.87 3hye s SER 37 Ca 0.58 -0.09 -0.06 0.00 0.48 0.00 0.00 55.95 56.85 3hye s SER 37 Cb -0.31 0.24 -0.02 0.00 0.10 0.00 0.00 66.02 66.03 3hye s SER 37 CO 0.39 -0.35 0.29 -1.48 0.98 0.00 0.00 173.24 173.07 3hye s LEU 38 N -1.22 0.77 -0.10 2.42 0.05 0.12 -0.79 118.68 119.93 3hye s LEU 38 Ca -0.13 -1.18 -0.09 0.00 0.05 0.00 0.00 54.13 52.78 3hye s LEU 38 Cb -0.07 1.02 0.03 0.00 -2.05 0.00 0.00 46.19 45.12 3hye s LEU 38 CO 0.02 -0.98 0.25 -0.83 -0.55 0.00 0.00 176.35 174.26 3hye s GLY 39 N -3.10 -0.19 -0.05 -3.48 0.00 -0.59 -0.90 107.32 99.01 3hye s GLY 39 Ca 0.31 0.72 0.01 0.00 0.00 0.00 0.00 44.72 45.77 3hye s GLY 39 CO 0.11 0.64 -0.06 -0.42 0.00 0.00 0.00 173.10 173.36 3hye s ILE 40 N 0.17 0.70 -0.20 0.90 1.01 0.12 -1.53 121.20 122.36 3hye s ILE 40 Ca -0.00 -0.21 -0.14 0.00 0.00 0.00 0.00 60.65 60.29 3hye s ILE 40 Cb -0.02 -0.70 -0.04 0.00 0.01 0.00 0.00 42.46 41.70 3hye s ILE 40 CO 0.00 0.26 0.31 -0.75 0.00 0.00 0.00 174.94 174.76 3hye s LYS 41 N 0.91 4.16 0.56 2.79 2.20 0.14 -0.96 119.74 129.54 3hye s LYS 41 Ca -0.11 0.05 0.07 0.00 -0.36 0.00 0.00 55.97 55.62 3hye s LYS 41 Cb -0.15 -3.51 0.06 0.00 -1.51 0.00 0.00 37.83 32.72 3hye s LYS 41 CO 0.01 0.05 0.58 0.00 -0.36 0.00 0.00 175.35 175.63 3hye s ALA 42 N 1.06 4.57 0.16 3.13 0.00 0.65 -4.89 121.76 126.42 3hye s ALA 42 Ca 0.15 -1.66 0.21 0.00 0.00 0.00 0.00 51.96 50.66 3hye s ALA 42 Cb -0.14 -1.06 0.76 0.00 0.00 0.00 0.00 23.12 22.68 3hye s ALA 42 CO 0.06 -0.64 1.77 1.79 0.00 0.00 0.00 175.76 178.74 3hye h THR 43 N 0.49 0.77 -0.27 0.00 1.35 -1.18 -3.28 112.91 110.77 3hye h THR 43 Ca -0.33 -1.37 -0.23 0.00 -0.55 0.00 0.00 66.41 63.92 3hye h THR 43 Cb 1.30 1.87 -0.30 0.00 -1.73 0.00 0.00 68.15 69.29 3hye h THR 43 CO 0.50 0.31 -0.86 -0.46 -0.25 0.00 0.00 175.52 174.76 3hye n ASN 44 N -3.49 2.25 0.00 5.36 6.94 -1.26 -4.97 115.26 120.09 3hye n ASN 44 Ca -0.00 -2.94 0.00 0.00 -0.02 0.00 0.00 54.58 51.62 3hye n ASN 44 Cb 0.48 -0.41 0.00 0.00 -2.36 0.00 0.00 39.78 37.49 3hye n ASN 44 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hye n GLY 45 N -0.48 -2.44 3.08 4.83 0.00 -1.24 -4.60 105.19 104.35 3hye n GLY 45 Ca 0.19 -1.25 -0.11 0.00 0.00 0.00 0.00 46.02 44.85 3hye n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hye s VAL 46 N -2.06 0.06 -0.03 1.61 1.01 -0.17 -0.26 120.40 120.57 3hye s VAL 46 Ca 0.00 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.54 3hye s VAL 46 Cb 0.00 -0.37 -0.00 0.00 0.00 0.00 0.00 36.38 36.01 3hye s VAL 46 CO 0.00 -0.26 -0.13 0.54 0.00 0.00 0.00 175.10 175.25 3hye s VAL 47 N -0.92 1.08 -0.03 2.92 0.11 -0.14 -0.54 120.40 122.88 3hye s VAL 47 Ca -0.10 -0.54 0.04 0.00 -2.93 0.00 0.00 61.98 58.45 3hye s VAL 47 Cb -0.06 -0.93 -0.00 0.00 -1.53 0.00 0.00 36.38 33.86 3hye s VAL 47 CO 0.01 0.32 -0.13 0.27 -3.33 0.00 0.00 175.10 172.23 3hye s ILE 48 N -0.00 1.11 0.12 7.04 -4.36 -0.69 0.12 121.20 124.54 3hye s ILE 48 Ca -0.01 -0.56 -0.11 0.00 -0.26 0.00 0.00 60.65 59.71 3hye s ILE 48 Cb -0.09 -0.95 0.01 0.00 1.25 0.00 0.00 42.46 42.68 3hye s ILE 48 CO 0.01 0.32 0.28 0.00 0.24 0.00 0.00 174.94 175.79 3hye s ALA 49 N -0.05 -0.38 0.33 2.27 0.00 -0.08 -1.68 121.76 122.16 3hye s ALA 49 Ca -0.00 -0.52 -0.18 0.00 0.00 0.00 0.00 51.96 51.25 3hye s ALA 49 Cb -0.08 0.64 0.04 0.00 0.00 0.00 0.00 23.12 23.72 3hye s ALA 49 CO 0.01 -0.59 0.76 -0.08 0.00 0.00 0.00 175.76 175.86 3hye s THR 50 N -3.87 0.00 -0.15 0.00 -1.32 -0.56 -0.70 115.64 109.04 3hye s THR 50 Ca 0.08 -0.99 -0.08 0.00 -1.21 0.00 0.00 61.69 59.49 3hye s THR 50 Cb 0.03 -2.45 -0.04 0.00 -1.51 0.00 0.00 72.50 68.53 3hye s THR 50 CO -0.08 0.00 0.12 -0.70 -2.21 0.00 0.00 174.62 171.75 3hye s GLU 51 N -3.09 3.67 -1.11 7.08 2.12 -1.24 -1.48 118.70 124.66 3hye s GLU 51 Ca 0.13 -0.19 -0.17 0.00 0.36 0.00 0.00 54.97 55.10 3hye s GLU 51 Cb -0.05 -3.23 0.13 0.00 0.26 0.00 0.00 34.13 31.23 3hye s GLU 51 CO 0.09 0.59 1.38 0.15 -0.54 0.00 0.00 175.26 176.93 3hye s LYS 52 N -0.49 3.85 -0.80 4.30 1.02 0.22 -4.89 119.74 122.95 3hye s LYS 52 Ca 0.12 -2.06 -0.18 0.00 0.02 0.00 0.00 55.97 53.88 3hye s LYS 52 Cb -0.12 -5.12 -0.13 0.00 -0.52 0.00 0.00 37.83 31.95 3hye s LYS 52 CO 0.02 -1.89 1.96 1.17 -0.92 0.00 0.00 175.35 175.69 3hye n LYS 53 N 6.71 1.63 -1.64 1.68 3.00 -1.26 -4.82 118.16 123.46 3hye n LYS 53 Ca 0.34 -1.73 -0.55 0.00 -0.00 0.00 0.00 58.31 56.37 3hye n LYS 53 Cb 0.46 -2.79 -0.07 0.00 0.00 0.00 0.00 35.03 32.63 3hye n LYS 53 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3hye n SER 54 N 6.62 2.41 0.00 3.14 2.88 -1.26 -4.81 113.62 122.59 3hye n SER 54 Ca 0.48 0.92 0.07 0.00 -1.33 0.00 0.00 58.87 59.00 3hye n SER 54 Cb 0.33 -1.18 0.35 0.00 -0.75 0.00 0.00 64.21 62.96 3hye n SER 54 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3hye n SER 55 N 6.51 0.00 -3.61 -3.46 7.64 -1.26 -4.76 113.62 114.68 3hye n SER 55 Ca 0.30 0.06 -0.08 0.00 1.01 0.00 0.00 58.87 60.16 3hye n SER 55 Cb 0.16 -0.27 -0.06 0.00 -1.01 0.00 0.00 64.21 63.03 3hye n SER 55 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3hye s SER 56 N -2.54 -0.31 0.39 6.43 0.15 -1.26 -5.03 113.70 111.54 3hye s SER 56 Ca 0.13 0.44 0.28 0.00 0.70 0.00 0.00 55.95 57.50 3hye s SER 56 Cb 0.09 0.39 1.15 0.00 -1.71 0.00 0.00 66.02 65.95 3hye s SER 56 CO 0.21 -0.21 1.84 1.55 1.20 0.00 0.00 173.24 177.82 3hye h PRO 57 N 2.97 0.00 0.00 5.44 0.13 -2.03 -2.11 132.00 136.41 3hye h PRO 57 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 3hye h PRO 57 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3hye h PRO 57 CO 0.23 0.00 -0.08 -0.07 -0.23 0.00 0.00 178.00 177.85 3hye h LEU 58 N 0.00 0.00-10.12 1.56 3.38 -1.99 -3.45 115.31 104.69 3hye h LEU 58 Ca 0.00 -0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 3hye h LEU 58 Cb 0.44 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.24 3hye h LEU 58 CO 0.00 0.00 0.39 0.00 0.09 0.00 0.00 178.44 178.93 3hye s ALA 59 N -3.20 2.76 -0.66 1.53 0.00 -0.79 -4.99 121.76 116.41 3hye s ALA 59 Ca 0.07 0.60 -0.10 0.00 0.00 0.00 0.00 51.96 52.53 3hye s ALA 59 Cb 0.07 -3.28 0.17 0.00 0.00 0.00 0.00 23.12 20.08 3hye s ALA 59 CO 0.66 -0.64 0.55 -1.64 0.00 0.00 0.00 175.76 174.70 3hye s MET 60 N -3.53 2.99 0.65 0.00 -1.94 -1.26 -4.94 119.30 111.26 3hye s MET 60 Ca 0.68 -2.22 0.26 0.00 -1.71 0.00 0.00 55.69 52.69 3hye s MET 60 Cb -0.18 -4.11 1.38 0.00 2.01 0.00 0.00 34.83 33.92 3hye s MET 60 CO 0.28 -1.24 1.78 0.66 -0.01 0.00 0.00 175.02 176.49 3hye h SER 61 N 7.88 0.00 0.43 3.03 4.64 -1.92 -0.08 113.55 127.53 3hye h SER 61 Ca -0.05 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.09 3hye h SER 61 Cb 1.03 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 3hye h SER 61 CO 0.80 0.00 -0.76 -0.33 -0.87 0.00 0.00 176.83 175.68 3hye h GLU 62 N 0.00 0.26 0.00 4.77 3.07 -1.92 -2.90 114.58 117.86 3hye h GLU 62 Ca 0.06 -0.23 0.00 0.00 -0.50 0.00 0.00 59.36 58.69 3hye h GLU 62 Cb 1.01 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.97 3hye h GLU 62 CO -0.00 0.90 0.00 0.25 -1.40 0.00 0.00 179.01 178.76 3hye n THR 63 N -3.77 0.00 -3.71 1.13 -2.24 -0.04 -4.28 114.28 101.37 3hye n THR 63 Ca -0.03 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.47 3hye n THR 63 Cb 0.72 -0.40 -0.16 0.00 -2.10 0.00 0.00 70.33 68.39 3hye n THR 63 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3hye s LEU 64 N -1.31 1.22 -0.23 3.22 0.20 -1.10 -5.09 118.68 115.59 3hye s LEU 64 Ca 0.08 -0.96 -0.08 0.00 0.69 0.00 0.00 54.13 53.86 3hye s LEU 64 Cb 0.04 -0.59 -0.04 0.00 -0.43 0.00 0.00 46.19 45.17 3hye s LEU 64 CO 0.06 -0.34 0.09 -0.44 -0.29 0.00 0.00 176.35 175.43 3hye s SER 65 N 1.86 5.48 0.14 3.68 0.01 -1.26 -4.94 113.70 118.68 3hye s SER 65 Ca 0.01 -0.06 0.23 0.00 1.31 0.00 0.00 55.95 57.44 3hye s SER 65 Cb -0.17 -1.97 0.08 0.00 0.21 0.00 0.00 66.02 64.17 3hye s SER 65 CO -0.13 0.04 1.08 0.29 0.41 0.00 0.00 173.24 174.94 3hye n LYS 66 N 4.43 0.47 -3.75 12.44 5.02 -1.26 -4.74 118.16 130.76 3hye n LYS 66 Ca -0.16 0.07 -0.36 0.00 -2.02 0.00 0.00 58.31 55.84 3hye n LYS 66 Cb 0.52 -1.73 -0.13 0.00 -0.02 0.00 0.00 35.03 33.67 3hye n LYS 66 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hye s VAL 67 N -3.29 4.31 0.08 -0.18 1.01 -1.26 -4.14 120.40 116.92 3hye s VAL 67 Ca 0.02 -0.18 0.09 0.00 0.00 0.00 0.00 61.98 61.91 3hye s VAL 67 Cb 0.12 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 3hye s VAL 67 CO 0.78 0.34 -0.24 -0.44 0.00 0.00 0.00 175.10 175.54 3hye s SER 68 N 1.61 2.84 -0.11 3.32 0.01 0.09 -4.95 113.70 116.51 3hye s SER 68 Ca 0.06 -0.63 -0.25 0.00 1.31 0.00 0.00 55.95 56.45 3hye s SER 68 Cb -0.15 -0.21 -0.02 0.00 0.21 0.00 0.00 66.02 65.84 3hye s SER 68 CO 0.04 0.16 0.79 -0.22 0.41 0.00 0.00 173.24 174.42 3hye s LEU 69 N -1.55 4.25 -0.25 2.44 0.20 -1.26 -0.53 118.68 121.97 3hye s LEU 69 Ca 0.10 1.22 -0.08 0.00 0.69 0.00 0.00 54.13 56.05 3hye s LEU 69 Cb -0.10 -3.20 -0.16 0.00 -0.43 0.00 0.00 46.19 42.30 3hye s LEU 69 CO 0.03 -0.27 -0.17 0.18 -0.29 0.00 0.00 176.35 175.83 3hye n LEU 70 N 4.54 2.40 -4.19 -0.68 4.77 0.10 -4.96 117.00 118.98 3hye n LEU 70 Ca 0.02 0.16 -0.12 0.00 -0.03 0.00 0.00 56.01 56.04 3hye n LEU 70 Cb 0.50 -0.90 -0.10 0.00 -2.33 0.00 0.00 43.42 40.59 3hye n LEU 70 CO 0.48 0.71 -0.25 0.42 -1.33 0.00 0.00 177.39 177.42 3hye s THR 71 N -2.50 0.02 -1.49 -5.08 -4.23 -1.00 -4.65 115.64 96.71 3hye s THR 71 Ca -0.35 -1.98 0.05 0.00 -1.18 0.00 0.00 61.69 58.23 3hye s THR 71 Cb 0.11 -2.42 0.09 0.00 1.34 0.00 0.00 72.50 71.62 3hye s THR 71 CO 0.57 -0.08 0.97 -0.81 -0.54 0.00 0.00 174.62 174.74 3hye n PRO 72 N -0.24 0.08 0.00 3.99 -0.04 -1.26 -2.03 135.00 135.50 3hye n PRO 72 Ca 0.01 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 3hye n PRO 72 Cb 0.66 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 3hye n PRO 72 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3hye n ASP 73 N -1.26 1.26 -3.87 3.54 8.00 -1.26 -0.79 116.55 122.17 3hye n ASP 73 Ca 0.02 -1.63 -0.14 0.00 0.71 0.00 0.00 54.79 53.76 3hye n ASP 73 Cb 0.04 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 40.99 3hye n ASP 73 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hye s ILE 74 N -0.63 0.12 0.22 0.53 1.01 -0.86 -0.95 121.20 120.64 3hye s ILE 74 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.66 3hye s ILE 74 Cb 0.00 -0.15 -0.05 0.00 0.01 0.00 0.00 42.46 42.27 3hye s ILE 74 CO 0.00 0.06 0.03 -0.83 0.00 0.00 0.00 174.94 174.20 3hye s GLY 75 N 0.29 1.49 0.04 6.18 0.00 0.12 -0.72 107.32 114.72 3hye s GLY 75 Ca -0.03 -1.73 -0.08 0.00 0.00 0.00 0.00 44.72 42.89 3hye s GLY 75 CO -0.01 -1.60 0.15 0.00 0.00 0.00 0.00 173.10 171.65 3hye s ALA 76 N -3.60 -0.24 0.15 3.20 0.00 0.31 -1.20 121.76 120.37 3hye s ALA 76 Ca 0.29 -0.38 -0.06 0.00 0.00 0.00 0.00 51.96 51.81 3hye s ALA 76 Cb 0.06 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.42 3hye s ALA 76 CO 0.08 -0.33 0.20 0.54 0.00 0.00 0.00 175.76 176.26 3hye s VAL 77 N -2.49 0.09 0.20 0.00 0.11 -0.53 -0.73 120.40 117.04 3hye s VAL 77 Ca -0.06 -1.53 -0.01 0.00 -2.93 0.00 0.00 61.98 57.45 3hye s VAL 77 Cb -0.02 -1.86 0.01 0.00 -1.53 0.00 0.00 36.38 32.98 3hye s VAL 77 CO -0.04 -0.39 0.28 0.00 -3.33 0.00 0.00 175.10 171.62 3hye n TYR 78 N -0.16 -1.01 -3.70 1.54 4.11 -1.26 -0.86 117.16 115.81 3hye n TYR 78 Ca -0.08 -1.31 -0.11 0.00 -0.00 0.00 0.00 57.90 56.40 3hye n TYR 78 Cb 0.63 0.31 -0.11 0.00 -0.00 0.00 0.00 39.34 40.17 3hye n TYR 78 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.86 175.74 3hye s SER 79 N -2.22 -0.49 0.00 9.48 0.01 -0.98 -4.63 113.70 114.87 3hye s SER 79 Ca 0.16 0.86 0.00 0.00 1.31 0.00 0.00 55.95 58.28 3hye s SER 79 Cb -0.01 0.75 0.00 0.00 0.21 0.00 0.00 66.02 66.97 3hye s SER 79 CO 0.12 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.19 3hye n GLY 80 N 4.14 0.21 3.56 3.44 0.00 -1.26 -2.55 105.19 112.73 3hye n GLY 80 Ca -0.23 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 3hye n GLY 80 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hye s MET 81 N -0.64 3.38 0.22 1.61 -1.94 -0.31 -4.81 119.30 116.82 3hye s MET 81 Ca 0.00 -0.02 -0.10 0.00 -1.71 0.00 0.00 55.69 53.87 3hye s MET 81 Cb 0.00 -4.07 0.34 0.00 2.01 0.00 0.00 34.83 33.11 3hye s MET 81 CO 0.00 -1.76 1.65 0.78 -0.01 0.00 0.00 175.02 175.68 3hye h GLY 82 N 11.97 0.70 0.92 -0.03 0.00 -1.95 -1.59 103.07 113.09 3hye h GLY 82 Ca -0.26 0.10 0.03 0.00 0.00 0.00 0.00 47.33 47.20 3hye h GLY 82 CO 1.19 -0.23 0.62 -2.55 0.00 0.00 0.00 176.54 175.57 3hye h PRO 83 N 0.10 1.19 -0.74 4.80 0.11 -2.00 -0.84 132.00 134.62 3hye h PRO 83 Ca 0.35 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.39 3hye h PRO 83 Cb 0.59 -0.27 -0.04 0.00 0.11 0.00 0.00 31.00 31.39 3hye h PRO 83 CO -0.59 0.79 0.45 -0.44 -0.21 0.00 0.00 178.00 178.00 3hye h ASP 84 N 1.23 0.89 -0.17 -2.05 3.45 -1.71 -2.45 116.42 115.60 3hye h ASP 84 Ca 0.37 -0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.76 3hye h ASP 84 Cb -0.05 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.48 3hye h ASP 84 CO -0.11 0.69 0.11 0.22 -1.57 0.00 0.00 179.24 178.59 3hye h TYR 85 N 1.02 0.21 -0.37 4.55 3.20 -0.77 -1.59 116.97 123.22 3hye h TYR 85 Ca 0.27 0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.21 3hye h TYR 85 Cb -0.03 -0.07 -0.07 0.00 1.54 0.00 0.00 36.73 38.10 3hye h TYR 85 CO -0.01 0.14 -0.04 -0.09 -1.64 0.00 0.00 178.16 176.52 3hye h ARG 86 N 0.22 0.05 -0.03 1.82 2.43 -0.79 0.33 114.38 118.41 3hye h ARG 86 Ca 0.06 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.12 3hye h ARG 86 Cb -0.02 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 3hye h ARG 86 CO -0.01 0.03 -0.50 -0.39 -1.51 0.00 0.00 179.97 177.59 3hye h VAL 87 N 0.05 1.36 -0.39 0.20 -1.51 -1.35 -2.37 116.25 112.24 3hye h VAL 87 Ca 0.18 -1.74 -0.04 0.00 -1.23 0.00 0.00 66.70 63.87 3hye h VAL 87 Cb 0.27 1.90 -0.02 0.00 -2.13 0.00 0.00 31.29 31.31 3hye h VAL 87 CO -0.34 0.50 0.07 -0.07 -1.23 0.00 0.00 177.57 176.50 3hye h LEU 88 N 0.07 0.55 -0.44 4.19 3.38 -0.19 -1.30 115.31 121.56 3hye h LEU 88 Ca -0.00 -0.09 -0.16 0.00 0.09 0.00 0.00 57.88 57.73 3hye h LEU 88 Cb 0.92 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3hye h LEU 88 CO 0.07 0.57 -0.40 0.58 0.09 0.00 0.00 178.44 179.35 3hye h VAL 89 N 0.57 1.28 -0.15 1.22 2.07 -0.57 0.71 116.25 121.39 3hye h VAL 89 Ca 0.13 -1.58 -0.01 0.00 0.82 0.00 0.00 66.70 66.06 3hye h VAL 89 Cb 0.26 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 3hye h VAL 89 CO 0.00 0.52 0.06 0.44 0.02 0.00 0.00 177.57 178.62 3hye h ASP 90 N 0.70 0.20 -0.53 0.57 3.32 -0.95 -0.72 116.42 119.00 3hye h ASP 90 Ca 0.05 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 56.92 3hye h ASP 90 Cb 0.98 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.45 3hye h ASP 90 CO 0.09 0.30 0.21 0.11 -1.72 0.00 0.00 179.24 178.23 3hye h LYS 91 N 0.10 0.85 0.00 3.56 1.57 -1.16 -1.87 116.57 119.62 3hye h LYS 91 Ca 0.05 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3hye h LYS 91 Cb 0.15 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3hye h LYS 91 CO -0.00 0.72 -0.00 0.77 -0.57 0.00 0.00 179.45 180.36 3hye h SER 92 N 0.83 -0.00 -1.00 0.86 0.02 -0.57 0.16 113.55 113.85 3hye h SER 92 Ca 0.19 -0.34 0.09 0.00 -0.84 0.00 0.00 61.79 60.89 3hye h SER 92 Cb 0.20 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.67 3hye h SER 92 CO -0.01 0.34 0.64 0.03 -1.14 0.00 0.00 176.83 176.68 3hye h ARG 93 N -0.35 1.06 -0.16 3.45 3.08 -0.99 -1.32 114.38 119.14 3hye h ARG 93 Ca -0.00 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 59.85 3hye h ARG 93 Cb 0.34 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3hye h ARG 93 CO 0.00 0.70 -0.41 -0.22 -1.07 0.00 0.00 179.97 178.97 3hye h LYS 94 N 1.09 0.57 0.00 0.04 3.64 -1.19 -3.16 116.57 117.56 3hye h LYS 94 Ca 0.46 -0.39 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 3hye h LYS 94 Cb 0.32 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 3hye h LYS 94 CO -0.22 1.01 -0.19 -0.24 -2.27 0.00 0.00 179.45 177.55 3hye h VAL 95 N 0.22 1.09 0.00 2.00 3.04 -0.54 -0.62 116.25 121.43 3hye h VAL 95 Ca -0.01 -0.65 -0.02 0.00 -1.01 0.00 0.00 66.70 65.02 3hye h VAL 95 Cb 1.03 1.36 -0.00 0.00 -2.01 0.00 0.00 31.29 31.66 3hye h VAL 95 CO 0.09 0.18 -0.07 0.00 -1.01 0.00 0.00 177.57 176.76 3hye h ALA 96 N 1.81 1.78 0.00 3.17 0.00 -1.22 -1.10 119.26 123.71 3hye h ALA 96 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3hye h ALA 96 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3hye h ALA 96 CO 0.02 0.09 -0.25 0.45 0.00 0.00 0.00 179.25 179.56 3hye h HIS 97 N 0.00 0.00 -0.81 0.00 -0.00 -1.20 -1.92 115.15 111.21 3hye h HIS 97 Ca -0.00 0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.44 3hye h HIS 97 Cb 0.14 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 27.49 3hye h HIS 97 CO 0.00 0.00 0.53 1.79 -0.00 0.00 0.00 177.93 180.25 3hye h THR 98 N -0.78 1.04 -0.44 2.45 1.35 -1.26 0.16 112.91 115.41 3hye h THR 98 Ca 0.00 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 3hye h THR 98 Cb 0.25 0.08 0.00 0.00 -1.73 0.00 0.00 68.15 66.75 3hye h THR 98 CO 0.00 0.16 0.00 -1.20 -0.25 0.00 0.00 175.52 174.23 3hye n SER 99 N -4.49 3.52 0.17 5.36 7.64 -0.42 -4.72 113.62 120.69 3hye n SER 99 Ca 0.12 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 58.01 3hye n SER 99 Cb 0.22 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 3hye n SER 99 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hye n TYR 100 N 1.51 -3.63 -0.15 1.43 4.19 -1.01 -4.90 117.16 114.61 3hye n TYR 100 Ca 0.20 1.03 0.00 0.00 3.31 0.00 0.00 57.90 62.45 3hye n TYR 100 Cb 0.61 2.51 0.27 0.00 0.49 0.00 0.00 39.34 43.21 3hye n TYR 100 CO 0.00 0.00 0.00 -0.22 0.91 0.00 0.00 176.86 177.55 3hye h LYS 101 N 0.00 0.85 0.00 2.98 3.64 -0.84 0.11 116.57 123.32 3hye h LYS 101 Ca 0.00 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3hye h LYS 101 Cb 0.00 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 3hye h LYS 101 CO 0.00 0.62 0.00 0.54 -2.27 0.00 0.00 179.45 178.34 3hye n ARG 102 N -4.39 0.51 -0.09 1.90 1.74 -0.00 -0.98 116.66 115.36 3hye n ARG 102 Ca 0.06 0.02 -0.19 0.00 -0.77 0.00 0.00 57.85 56.98 3hye n ARG 102 Cb 0.09 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 29.97 3hye n ARG 102 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3hye n ILE 10 N -1.21 1.06 0.80 0.55 2.08 -0.45 -4.75 119.36 117.43 3hye n ILE 10 Ca 0.15 -0.22 0.09 0.00 0.56 0.00 0.00 62.75 63.34 3hye n ILE 10 Cb 0.18 -1.78 0.07 0.00 -0.75 0.00 0.00 39.64 37.36 3hye n ILE 10 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 3hye n TYR 103 N -3.86 0.00 -1.64 1.39 4.01 0.26 -4.99 117.16 112.33 3hye n TYR 103 Ca -0.34 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.25 3hye n TYR 103 Cb 0.72 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.71 3hye n TYR 103 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hye n GLY 104 N 1.09 1.07 3.28 2.72 0.00 -0.15 -4.97 105.19 108.23 3hye n GLY 104 Ca 0.11 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 3hye n GLY 104 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hye s GLU 105 N -3.62 0.99 0.50 1.61 -1.05 -1.25 -5.03 118.70 110.84 3hye s GLU 105 Ca 0.00 -0.75 -0.20 0.00 -0.15 0.00 0.00 54.97 53.87 3hye s GLU 105 Cb 0.00 0.43 -0.08 0.00 -0.44 0.00 0.00 34.13 34.04 3hye s GLU 105 CO 0.00 -0.36 1.07 0.71 0.95 0.00 0.00 175.26 177.62 3hye s TYR 106 N -3.70 2.90 0.63 4.83 2.02 -1.26 -3.24 117.35 119.52 3hye s TYR 106 Ca 0.03 1.57 -0.16 0.00 -0.37 0.00 0.00 57.07 58.13 3hye s TYR 106 Cb 0.02 -3.14 -0.01 0.00 -0.40 0.00 0.00 41.96 38.43 3hye s TYR 106 CO -0.11 -1.06 1.12 -1.25 -1.57 0.00 0.00 175.55 172.68 3hye s PRO 107 N -3.24 2.93 0.53 -1.71 0.04 -1.26 -4.96 135.00 127.33 3hye s PRO 107 Ca 0.69 1.46 -0.19 0.00 0.04 0.00 0.00 61.00 63.00 3hye s PRO 107 Cb -0.19 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.33 3hye s PRO 107 CO 0.22 -1.16 1.06 -1.25 0.04 0.00 0.00 177.00 175.91 3hye s PRO 108 N -3.87 3.57 0.21 0.56 0.04 -1.26 -4.81 135.00 129.44 3hye s PRO 108 Ca 0.69 1.34 -0.17 0.00 0.04 0.00 0.00 61.00 62.89 3hye s PRO 108 Cb -0.22 -2.06 0.22 0.00 0.04 0.00 0.00 34.50 32.48 3hye s PRO 108 CO 0.38 -0.62 1.59 1.15 0.04 0.00 0.00 177.00 179.54 3hye h THR 109 N 1.12 0.17 -0.97 1.26 2.02 -1.93 -1.56 112.91 113.01 3hye h THR 109 Ca -0.49 0.00 0.05 0.00 0.77 0.00 0.00 66.41 66.75 3hye h THR 109 Cb 1.23 0.17 -0.06 0.00 -1.74 0.00 0.00 68.15 67.74 3hye h THR 109 CO 0.58 0.00 0.63 0.07 0.37 0.00 0.00 175.52 177.17 3hye h LYS 110 N -0.08 1.13 -0.28 6.66 2.10 -1.98 -0.28 116.57 123.85 3hye h LYS 110 Ca 0.30 -0.07 -0.14 0.00 -2.00 0.00 0.00 60.65 58.74 3hye h LYS 110 Cb 0.56 -0.26 -0.00 0.00 -0.90 0.00 0.00 32.23 31.64 3hye h LYS 110 CO -0.77 0.75 -0.37 -0.07 -2.00 0.00 0.00 179.45 176.99 3hye h LEU 111 N 1.17 0.81 -0.70 7.07 3.38 -1.68 0.96 115.31 126.32 3hye h LEU 111 Ca 0.41 -0.50 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 3hye h LEU 111 Cb 0.11 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3hye h LEU 111 CO -0.15 1.15 0.06 0.25 0.09 0.00 0.00 178.44 179.84 3hye h LEU 112 N 0.49 1.02 -1.09 1.67 5.85 -1.18 -0.77 115.31 121.31 3hye h LEU 112 Ca 0.03 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.49 3hye h LEU 112 Cb 0.96 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 3hye h LEU 112 CO 0.09 1.04 0.55 0.58 -0.34 0.00 0.00 178.44 180.36 3hye h VAL 113 N 0.98 1.23 -0.40 1.05 2.07 -0.89 -0.46 116.25 119.83 3hye h VAL 113 Ca 0.19 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 3hye h VAL 113 Cb 0.48 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 3hye h VAL 113 CO 0.02 0.24 0.07 -1.28 0.02 0.00 0.00 177.57 176.64 3hye h SER 114 N 1.20 0.56 -0.04 0.57 0.87 -0.02 -0.30 113.55 116.37 3hye h SER 114 Ca 0.32 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.77 3hye h SER 114 Cb -0.09 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 61.72 3hye h SER 114 CO -0.06 0.58 -0.04 -0.33 -0.53 0.00 0.00 176.83 176.44 3hye h GLU 115 N 0.59 0.10 -0.18 2.24 4.39 0.27 -2.06 114.58 119.93 3hye h GLU 115 Ca 0.13 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.81 3hye h GLU 115 Cb 0.26 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 3hye h GLU 115 CO 0.00 0.56 0.01 0.28 -1.16 0.00 0.00 179.01 178.70 3hye h VAL 116 N -0.36 0.90 -0.97 3.13 2.07 -0.95 -1.68 116.25 118.39 3hye h VAL 116 Ca 0.01 -0.03 0.13 0.00 0.82 0.00 0.00 66.70 67.63 3hye h VAL 116 Cb 0.54 0.81 -0.08 0.00 -1.52 0.00 0.00 31.29 31.04 3hye h VAL 116 CO 0.01 0.01 0.61 0.00 0.02 0.00 0.00 177.57 178.23 3hye h ALA 117 N 1.14 1.62 -0.32 1.67 0.00 -1.06 -0.80 119.26 121.52 3hye h ALA 117 Ca 0.08 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3hye h ALA 117 Cb 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3hye h ALA 117 CO -0.13 0.12 0.06 -0.22 0.00 0.00 0.00 179.25 179.08 3hye h LYS 118 N 0.89 0.52 -0.82 0.00 3.64 -0.61 0.93 116.57 121.12 3hye h LYS 118 Ca 0.49 -0.14 0.09 0.00 -1.27 0.00 0.00 60.65 59.82 3hye h LYS 118 Cb 0.59 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.28 3hye h LYS 118 CO -0.26 0.61 0.48 0.82 -2.27 0.00 0.00 179.45 178.83 3hye h ILE 119 N 0.35 0.93 -0.31 2.00 1.08 -0.32 -1.22 117.51 120.02 3hye h ILE 119 Ca 0.10 -0.28 -0.18 0.00 -0.39 0.00 0.00 64.86 64.11 3hye h ILE 119 Cb 0.34 0.05 -0.00 0.00 -3.07 0.00 0.00 36.82 34.13 3hye h ILE 119 CO 0.01 0.15 -0.50 0.24 -0.69 0.00 0.00 178.15 177.35 3hye h MET 120 N 0.81 0.88 -0.62 2.37 2.86 -0.93 -3.12 114.93 117.18 3hye h MET 120 Ca 0.39 -0.53 -0.02 0.00 -2.06 0.00 0.00 59.70 57.47 3hye h MET 120 Cb 0.33 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.01 3hye h MET 120 CO -0.23 1.17 0.29 0.37 1.06 0.00 0.00 176.91 179.57 3hye h GLN 121 N 0.69 0.88 -0.07 1.72 -0.00 -0.15 -2.42 115.11 115.76 3hye h GLN 121 Ca 0.03 -0.12 -0.06 0.00 -0.00 0.00 0.00 58.65 58.51 3hye h GLN 121 Cb 1.11 -0.16 -0.01 0.00 0.00 0.00 0.00 27.48 28.41 3hye h GLN 121 CO 0.11 0.69 -0.21 0.93 0.00 0.00 0.00 178.83 180.35 3hye h GLU 122 N 0.87 0.12 0.00 1.69 5.08 -1.19 -1.00 114.58 120.16 3hye h GLU 122 Ca 0.21 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3hye h GLU 122 Cb 0.11 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3hye h GLU 122 CO -0.03 0.33 0.00 0.00 -1.00 0.00 0.00 179.01 178.32 3hye n ALA 123 N -2.49 2.50 0.36 3.43 0.00 -0.91 0.09 120.51 123.49 3hye n ALA 123 Ca -0.01 -0.11 0.07 0.00 0.00 0.00 0.00 53.44 53.39 3hye n ALA 123 Cb 0.30 -1.28 -0.09 0.00 0.00 0.00 0.00 19.45 18.38 3hye n ALA 123 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3hye n THR 124 N -0.80 0.00 0.00 0.00 -1.04 -0.39 -2.31 114.28 109.74 3hye n THR 124 Ca 0.13 -0.24 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 3hye n THR 124 Cb 0.06 0.63 0.00 0.00 -1.82 0.00 0.00 70.33 69.20 3hye n THR 124 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 3hye n GLN 125 N -1.63 1.16 -0.97 -2.82 7.27 -0.90 -4.55 117.38 114.94 3hye n GLN 125 Ca 0.00 0.00 -0.33 0.00 0.07 0.00 0.00 57.00 56.74 3hye n GLN 125 Cb 0.29 -0.67 0.13 0.00 2.41 0.00 0.00 30.24 32.40 3hye n GLN 125 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 3hye n SER 126 N -1.14 0.37 -4.78 1.69 7.64 0.11 -4.52 113.62 112.99 3hye n SER 126 Ca 0.00 0.52 -0.37 0.00 1.01 0.00 0.00 58.87 60.02 3hye n SER 126 Cb 0.17 -1.45 -0.03 0.00 -1.01 0.00 0.00 64.21 61.89 3hye n SER 126 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3hye s GLY 127 N -2.20 2.78 -0.98 0.23 0.00 -1.26 -4.02 107.32 101.87 3hye s GLY 127 Ca 0.69 0.80 0.00 0.00 0.00 0.00 0.00 44.72 46.22 3hye s GLY 127 CO 0.55 1.26 0.00 0.61 0.00 0.00 0.00 173.10 175.52 3hye n GLY 128 N 0.46 1.06 3.35 0.20 0.00 -0.38 -4.82 105.19 105.06 3hye n GLY 128 Ca 0.05 -0.38 -0.18 0.00 0.00 0.00 0.00 46.02 45.52 3hye n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hye s VAL 129 N -2.22 0.81 0.18 1.61 -7.23 -1.26 -5.03 120.40 107.25 3hye s VAL 129 Ca 0.00 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.26 3hye s VAL 129 Cb 0.00 -2.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 3hye s VAL 129 CO 0.00 -0.09 -0.12 0.00 -0.31 0.00 0.00 175.10 174.57 3hye s ARG 130 N -3.96 1.95 0.93 4.82 1.70 -1.26 -4.27 118.95 118.86 3hye s ARG 130 Ca 0.35 -1.30 -0.11 0.00 -0.47 0.00 0.00 55.73 54.20 3hye s ARG 130 Cb 0.08 -2.11 0.15 0.00 -0.57 0.00 0.00 34.95 32.50 3hye s ARG 130 CO 0.13 0.43 1.10 -2.14 -1.08 0.00 0.00 175.30 173.74 3hye s PRO 131 N -2.75 0.96 0.20 3.89 0.02 -0.98 -4.78 135.00 131.56 3hye s PRO 131 Ca 0.24 1.20 -0.30 0.00 0.02 0.00 0.00 61.00 62.16 3hye s PRO 131 Cb -0.09 -1.75 -0.08 0.00 0.02 0.00 0.00 34.50 32.61 3hye s PRO 131 CO 0.14 -2.56 1.11 -0.06 -0.33 0.00 0.00 177.00 175.31 3hye s PHE 132 N -2.72 3.57 -0.41 6.54 0.40 -1.26 -4.93 117.98 119.16 3hye s PHE 132 Ca 0.65 1.59 -0.05 0.00 -0.60 0.00 0.00 56.93 58.53 3hye s PHE 132 Cb -0.21 -3.30 -0.02 0.00 0.51 0.00 0.00 43.02 40.00 3hye s PHE 132 CO 0.59 -0.67 2.97 0.41 0.70 0.00 0.00 175.22 179.21 3hye n GLY 133 N 1.92 4.06 3.27 4.36 0.00 -1.26 -4.58 105.19 112.97 3hye n GLY 133 Ca 0.02 -1.72 -0.09 0.00 0.00 0.00 0.00 46.02 44.23 3hye n GLY 133 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hye s VAL 134 N -1.29 0.10 -0.05 1.61 -7.23 -1.26 -1.16 120.40 111.12 3hye s VAL 134 Ca 0.61 -1.31 0.02 0.00 -1.81 0.00 0.00 61.98 59.49 3hye s VAL 134 Cb 0.35 -1.63 0.01 0.00 0.56 0.00 0.00 36.38 35.67 3hye s VAL 134 CO -0.16 -0.45 -0.11 -0.44 -0.31 0.00 0.00 175.10 173.63 3hye s SER 135 N -2.92 1.57 0.23 4.85 0.01 -1.06 -3.25 113.70 113.13 3hye s SER 135 Ca 0.12 -0.25 0.08 0.00 1.31 0.00 0.00 55.95 57.21 3hye s SER 135 Cb 0.04 -0.61 -0.04 0.00 0.21 0.00 0.00 66.02 65.62 3hye s SER 135 CO -0.05 0.05 0.02 -0.76 0.41 0.00 0.00 173.24 172.91 3hye s LEU 136 N 0.49 3.32 -0.14 2.44 1.43 -0.14 -2.32 118.68 123.75 3hye s LEU 136 Ca -0.10 -0.50 -0.00 0.00 -1.03 0.00 0.00 54.13 52.51 3hye s LEU 136 Cb -0.13 -1.89 0.03 0.00 0.03 0.00 0.00 46.19 44.22 3hye s LEU 136 CO 0.02 0.03 -0.10 -0.76 0.23 0.00 0.00 176.35 175.77 3hye s LEU 137 N -3.40 1.50 -0.14 1.79 1.43 -0.04 -1.32 118.68 118.50 3hye s LEU 137 Ca 0.30 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 3hye s LEU 137 Cb -0.08 -1.02 -0.00 0.00 0.03 0.00 0.00 46.19 45.13 3hye s LEU 137 CO 0.20 -0.10 -0.17 -0.63 0.23 0.00 0.00 176.35 175.87 3hye s ILE 138 N 1.59 2.50 -0.05 -0.59 1.01 0.75 -1.45 121.20 124.96 3hye s ILE 138 Ca 0.04 -0.83 0.06 0.00 0.00 0.00 0.00 60.65 59.92 3hye s ILE 138 Cb -0.13 -2.03 -0.02 0.00 0.01 0.00 0.00 42.46 40.29 3hye s ILE 138 CO -0.09 0.53 -0.23 0.00 0.00 0.00 0.00 174.94 175.15 3hye s ALA 139 N 0.72 2.29 0.31 9.38 0.00 -0.34 -0.57 121.76 133.54 3hye s ALA 139 Ca -0.08 -1.05 -0.15 0.00 0.00 0.00 0.00 51.96 50.68 3hye s ALA 139 Cb -0.16 -0.72 0.06 0.00 0.00 0.00 0.00 23.12 22.30 3hye s ALA 139 CO 0.01 0.47 0.79 0.41 0.00 0.00 0.00 175.76 177.44 3hye n GLY 140 N 2.70 0.94 3.11 0.00 0.00 -0.87 0.14 105.19 111.22 3hye n GLY 140 Ca -0.17 -1.21 -0.12 0.00 0.00 0.00 0.00 46.02 44.52 3hye n GLY 140 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3hye s HIS 141 N -2.64 -0.12 -0.02 1.61 2.46 -0.13 -1.52 115.29 114.94 3hye s HIS 141 Ca 0.16 0.25 -0.17 0.00 0.47 0.00 0.00 55.06 55.77 3hye s HIS 141 Cb -0.04 0.03 0.03 0.00 -0.13 0.00 0.00 32.58 32.47 3hye s HIS 141 CO 0.09 -0.21 0.37 0.16 -2.47 0.00 0.00 174.74 172.68 3hye s ASP 142 N -0.63 -0.27 0.25 9.88 1.47 -0.97 -4.75 116.67 121.66 3hye s ASP 142 Ca -0.07 0.20 -0.05 0.00 1.18 0.00 0.00 52.55 53.80 3hye s ASP 142 Cb -0.04 0.36 0.48 0.00 -0.34 0.00 0.00 42.92 43.37 3hye s ASP 142 CO 0.01 -0.47 1.64 -0.08 0.68 0.00 0.00 175.17 176.95 3hye h GLU 143 N 3.74 0.12 -0.01 2.11 4.81 -2.00 0.93 114.58 124.28 3hye h GLU 143 Ca -0.29 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 3hye h GLU 143 Cb 1.17 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.52 3hye h GLU 143 CO 0.40 0.08 -0.06 1.19 -0.73 0.00 0.00 179.01 179.88 3hye n PHE 144 N -5.32 0.00 -0.05 0.92 3.01 -1.26 -4.19 117.46 110.57 3hye n PHE 144 Ca 0.15 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.61 3hye n PHE 144 Cb 0.51 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.95 3hye n PHE 144 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3hye n ASN 145 N 0.07 0.10 0.00 4.37 3.02 -0.90 -5.12 115.26 116.80 3hye n ASN 145 Ca 0.17 -0.44 0.00 0.00 -0.03 0.00 0.00 54.58 54.28 3hye n ASN 145 Cb 0.37 0.58 0.00 0.00 -0.61 0.00 0.00 39.78 40.12 3hye n ASN 145 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hye n GLY 146 N 0.58 1.24 3.86 7.41 0.00 0.27 -4.76 105.19 113.79 3hye n GLY 146 Ca 0.00 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 45.00 3hye n GLY 146 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hye s PHE 147 N 0.00 3.42 0.10 1.61 0.40 -1.26 -2.28 117.98 119.97 3hye s PHE 147 Ca 0.00 1.08 -0.19 0.00 -0.60 0.00 0.00 56.93 57.22 3hye s PHE 147 Cb 0.00 -2.42 0.04 0.00 0.51 0.00 0.00 43.02 41.15 3hye s PHE 147 CO 0.00 0.20 0.46 -1.54 0.70 0.00 0.00 175.22 175.04 3hye s SER 14 N -2.24 -0.34 -0.03 1.36 1.04 -0.57 -5.00 113.70 107.92 3hye s SER 14 Ca 0.50 -0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.83 3hye s SER 14 Cb -0.11 0.49 0.02 0.00 0.10 0.00 0.00 66.02 66.52 3hye s SER 14 CO 0.19 -0.81 -0.01 -0.22 0.98 0.00 0.00 173.24 173.37 3hye s LEU 148 N -2.47 1.30 0.08 2.42 2.96 -1.26 -2.05 118.68 119.66 3hye s LEU 148 Ca -0.01 -0.05 0.04 0.00 -0.22 0.00 0.00 54.13 53.90 3hye s LEU 148 Cb 0.00 -0.27 -0.03 0.00 0.50 0.00 0.00 46.19 46.40 3hye s LEU 148 CO -0.08 -0.07 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.44 3hye s TYR 149 N 0.87 1.13 -0.06 5.38 2.02 0.27 -0.84 117.35 126.12 3hye s TYR 149 Ca -0.09 -0.54 0.05 0.00 -0.37 0.00 0.00 57.07 56.12 3hye s TYR 149 Cb -0.13 -0.63 -0.02 0.00 -0.40 0.00 0.00 41.96 40.79 3hye s TYR 149 CO -0.01 0.04 -0.21 -1.14 -1.57 0.00 0.00 175.55 172.65 3hye s GLN 150 N -2.18 2.56 -0.11 -0.62 0.74 -0.69 -0.18 119.66 119.17 3hye s GLN 150 Ca 0.01 -0.84 0.01 0.00 0.05 0.00 0.00 55.36 54.59 3hye s GLN 150 Cb -0.07 -2.24 0.02 0.00 1.10 0.00 0.00 33.01 31.82 3hye s GLN 150 CO 0.01 0.45 -0.13 0.08 -0.55 0.00 0.00 175.29 175.16 3hye s VAL 151 N -0.31 1.37 0.39 1.34 1.01 -0.43 -1.82 120.40 121.95 3hye s VAL 151 Ca 0.01 -0.54 0.08 0.00 0.00 0.00 0.00 61.98 61.53 3hye s VAL 151 Cb -0.13 -1.29 -0.00 0.00 0.00 0.00 0.00 36.38 34.97 3hye s VAL 151 CO 0.02 0.42 0.51 -1.81 0.00 0.00 0.00 175.10 174.24 3hye s ASP 152 N 1.24 5.65 0.54 3.32 -0.00 0.04 -0.96 116.67 126.50 3hye s ASP 152 Ca -0.02 -0.40 0.34 0.00 -0.00 0.00 0.00 52.55 52.47 3hye s ASP 152 Cb -0.14 -0.82 1.52 0.00 -0.00 0.00 0.00 42.92 43.48 3hye s ASP 152 CO -0.05 -0.64 1.83 -0.65 -0.00 0.00 0.00 175.17 175.67 3hye h PRO 153 N 0.78 0.00 0.00 8.23 0.11 -1.79 0.23 132.00 139.56 3hye h PRO 153 Ca -0.42 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.65 3hye h PRO 153 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 3hye h PRO 153 CO 0.49 0.00 -0.20 0.66 -0.21 0.00 0.00 178.00 178.74 3hye h SER 154 N 0.00 0.00 0.00 -2.05 4.64 -1.90 -3.42 113.55 110.82 3hye h SER 154 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 3hye h SER 154 Cb 2.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.12 3hye h SER 154 CO -0.01 0.20 0.00 0.61 -0.87 0.00 0.00 176.83 176.76 3hye n GLY 155 N 0.49 0.73 3.77 -0.77 0.00 0.79 -4.06 105.19 106.15 3hye n GLY 155 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 3hye n GLY 155 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hye s SER 156 N -1.79 6.43 0.01 1.61 0.01 -1.25 -4.66 113.70 114.05 3hye s SER 156 Ca 0.00 2.21 -0.05 0.00 1.31 0.00 0.00 55.95 59.42 3hye s SER 156 Cb 0.00 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.63 3hye s SER 156 CO 0.00 -0.73 0.09 -0.72 0.41 0.00 0.00 173.24 172.29 3hye s TYR 157 N -1.57 0.12 -0.07 2.43 -0.85 -1.26 -0.78 117.35 115.36 3hye s TYR 157 Ca 0.61 -0.29 -0.11 0.00 -0.52 0.00 0.00 57.07 56.76 3hye s TYR 157 Cb -0.26 -0.10 0.02 0.00 0.38 0.00 0.00 41.96 42.00 3hye s TYR 157 CO 0.32 -0.28 0.29 -0.06 -1.52 0.00 0.00 175.55 174.30 3hye s PHE 158 N -1.61 -0.25 0.34 -3.49 0.40 -0.75 -4.95 117.98 107.67 3hye s PHE 158 Ca -0.13 0.56 -0.26 0.00 -0.60 0.00 0.00 56.93 56.49 3hye s PHE 158 Cb -0.07 0.09 -0.10 0.00 0.51 0.00 0.00 43.02 43.46 3hye s PHE 158 CO 0.00 -0.24 0.99 -1.25 0.70 0.00 0.00 175.22 175.43 3hye s PRO 159 N -0.42 4.47 0.12 0.24 0.04 -1.26 -1.70 135.00 136.49 3hye s PRO 159 Ca -0.05 1.44 0.04 0.00 0.04 0.00 0.00 61.00 62.47 3hye s PRO 159 Cb -0.04 -2.78 -0.04 0.00 0.04 0.00 0.00 34.50 31.69 3hye s PRO 159 CO 0.02 0.15 -0.09 -1.58 0.04 0.00 0.00 177.00 175.53 3hye s TRP 160 N -1.57 1.12 -0.12 0.56 0.52 -0.02 -4.96 118.94 114.47 3hye s TRP 160 Ca 0.52 -0.76 0.03 0.00 0.02 0.00 0.00 56.10 55.91 3hye s TRP 160 Cb -0.21 -0.60 -0.24 0.00 -1.15 0.00 0.00 33.47 31.27 3hye s TRP 160 CO 0.27 0.01 0.36 1.63 0.02 0.00 0.00 176.95 179.24 3hye n LYS 161 N 0.08 0.70 -3.60 4.98 5.02 -1.26 -4.18 118.16 119.89 3hye n LYS 161 Ca -0.12 0.23 -0.10 0.00 -2.02 0.00 0.00 58.31 56.30 3hye n LYS 161 Cb 0.60 -1.70 -0.06 0.00 -0.02 0.00 0.00 35.03 33.85 3hye n LYS 161 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hye s ALA 162 N -2.56 -1.94 0.16 7.82 0.00 -1.26 0.28 121.76 124.26 3hye s ALA 162 Ca -0.17 1.72 -0.24 0.00 0.00 0.00 0.00 51.96 53.27 3hye s ALA 162 Cb 0.07 -1.04 0.07 0.00 0.00 0.00 0.00 23.12 22.23 3hye s ALA 162 CO 0.77 -0.28 1.01 -0.08 0.00 0.00 0.00 175.76 177.18 3hye s THR 163 N -0.42 0.00 0.03 0.00 -1.32 -0.59 -5.01 115.64 108.34 3hye s THR 163 Ca 0.00 -0.62 -0.06 0.00 -1.21 0.00 0.00 61.69 59.80 3hye s THR 163 Cb -0.03 -2.35 -0.01 0.00 -1.51 0.00 0.00 72.50 68.60 3hye s THR 163 CO -0.02 0.00 0.11 0.00 -2.21 0.00 0.00 174.62 172.51 3hye s ALA 164 N -2.79 -0.14 0.07 11.08 0.00 -1.26 -1.54 121.76 127.18 3hye s ALA 164 Ca 0.16 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.66 3hye s ALA 164 Cb -0.01 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 3hye s ALA 164 CO 0.03 -0.31 -0.05 0.96 0.00 0.00 0.00 175.76 176.40 3hye s ILE 165 N -2.46 0.42 0.00 0.00 -4.36 0.03 -4.81 121.20 110.01 3hye s ILE 165 Ca -0.06 -1.82 0.00 0.00 -0.26 0.00 0.00 60.65 58.51 3hye s ILE 165 Cb -0.02 -1.53 0.00 0.00 1.25 0.00 0.00 42.46 42.16 3hye s ILE 165 CO -0.04 -0.92 0.00 0.61 0.24 0.00 0.00 174.94 174.83 3hye n GLY 166 N 0.12 -1.80 0.00 6.27 0.00 -1.26 -1.79 105.19 106.73 3hye n GLY 166 Ca -0.14 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.05 3hye n GLY 166 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hye n LYS 167 N 0.00 0.00 -1.45 1.61 5.02 0.73 -1.65 118.16 122.41 3hye n LYS 167 Ca 0.00 0.21 -0.35 0.00 -2.02 0.00 0.00 58.31 56.16 3hye n LYS 167 Cb 0.00 -0.38 0.06 0.00 -0.02 0.00 0.00 35.03 34.69 3hye n LYS 167 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hye n GLY 168 N -0.75 5.59 0.27 0.72 0.00 -1.26 -4.64 105.19 105.12 3hye n GLY 168 Ca 0.00 -2.24 -0.09 0.00 0.00 0.00 0.00 46.02 43.69 3hye n GLY 168 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hye h SER 169 N 2.25 0.87 -0.05 1.61 4.64 -1.56 -1.49 113.55 119.82 3hye h SER 169 Ca 0.57 -0.25 0.02 0.00 -0.47 0.00 0.00 61.79 61.66 3hye h SER 169 Cb 0.61 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.44 3hye h SER 169 CO 1.47 0.89 -0.09 0.58 -0.87 0.00 0.00 176.83 178.81 3hye h VAL 170 N 0.80 0.75 0.02 0.95 2.07 -1.83 0.37 116.25 119.38 3hye h VAL 170 Ca 0.17 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.69 3hye h VAL 170 Cb 0.38 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 3hye h VAL 170 CO 0.01 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.58 3hye h ALA 171 N 0.88 -0.03 -0.95 1.67 0.00 -1.93 -2.52 119.26 116.38 3hye h ALA 171 Ca 0.05 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.89 3hye h ALA 171 Cb 0.21 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 3hye h ALA 171 CO -0.13 -0.40 0.61 0.00 0.00 0.00 0.00 179.25 179.33 3hye h ALA 172 N 0.69 1.30 -0.70 0.00 0.00 -1.09 -0.13 119.26 119.34 3hye h ALA 172 Ca -0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3hye h ALA 172 Cb 0.26 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3hye h ALA 172 CO 0.01 0.40 0.27 0.87 0.00 0.00 0.00 179.25 180.80 3hye h LYS 173 N 1.12 1.05 -0.51 0.00 1.57 -0.22 -0.95 116.57 118.63 3hye h LYS 173 Ca 0.40 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 3hye h LYS 173 Cb 0.13 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3hye h LYS 173 CO -0.16 0.87 0.28 1.15 -0.57 0.00 0.00 179.45 181.03 3hye h THR 174 N 1.00 1.17 -0.28 -0.16 2.02 -0.78 -1.27 112.91 114.61 3hye h THR 174 Ca 0.23 -0.44 -0.06 0.00 0.77 0.00 0.00 66.41 66.91 3hye h THR 174 Cb 0.23 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 3hye h THR 174 CO -0.02 0.19 -0.07 0.15 0.37 0.00 0.00 175.52 176.14 3hye h PHE 175 N 0.69 0.48 -0.24 3.16 3.57 -0.72 -2.57 116.94 121.30 3hye h PHE 175 Ca 0.18 -0.06 -0.13 0.00 3.53 0.00 0.00 57.97 61.50 3hye h PHE 175 Cb 0.04 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 3hye h PHE 175 CO -0.02 0.52 -0.39 -0.07 -2.23 0.00 0.00 178.31 176.13 3hye h LEU 176 N 0.43 0.58 -1.82 0.59 3.38 -0.62 -2.83 115.31 115.02 3hye h LEU 176 Ca 0.09 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 3hye h LEU 176 Cb 0.39 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3hye h LEU 176 CO 0.02 0.91 -0.11 -0.33 0.09 0.00 0.00 178.44 179.01 3hye h GLU 177 N 0.46 0.00 0.01 1.13 5.08 -0.83 -0.95 114.58 119.47 3hye h GLU 177 Ca 0.04 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.18 3hye h GLU 177 Cb 0.88 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.15 3hye h GLU 177 CO 0.08 0.11 -0.89 0.87 -1.00 0.00 0.00 179.01 178.18 3hye h LYS 178 N 0.00 0.59 0.00 2.33 1.57 -1.41 -3.35 116.57 116.30 3hye h LYS 178 Ca -0.00 -0.64 0.00 0.00 -1.87 0.00 0.00 60.65 58.14 3hye h LYS 178 Cb 0.21 0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3hye h LYS 178 CO 0.01 1.25 -0.65 0.00 -0.57 0.00 0.00 179.45 179.49 3hye h ARG 179 N 0.19 0.00 -6.64 3.15 2.47 -1.34 -3.48 114.38 108.73 3hye h ARG 179 Ca -0.11 0.00 -0.51 0.00 -1.26 0.00 0.00 59.98 58.10 3hye h ARG 179 Cb 1.57 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.86 3hye h ARG 179 CO 0.17 0.00 0.24 -0.46 0.56 0.00 0.00 179.97 180.49 3hye s TRP 180 N -3.18 3.88 0.13 3.04 -0.00 -0.38 -5.06 118.94 117.36 3hye s TRP 180 Ca 0.06 1.71 -0.15 0.00 -0.00 0.00 0.00 56.10 57.72 3hye s TRP 180 Cb 0.13 -2.83 0.03 0.00 -0.00 0.00 0.00 33.47 30.80 3hye s TRP 180 CO 0.73 0.44 0.39 0.54 -0.00 0.00 0.00 176.95 179.05 3hye s ASN 181 N -1.27 -0.19 -0.01 5.86 2.20 -1.26 -4.99 114.94 115.27 3hye s ASN 181 Ca 0.40 -0.41 0.01 0.00 -0.94 0.00 0.00 52.86 51.92 3hye s ASN 181 Cb -0.23 0.47 0.05 0.00 -2.00 0.00 0.00 41.25 39.54 3hye s ASN 181 CO 0.27 -0.87 0.62 -0.90 -2.94 0.00 0.00 177.10 173.28 3hye n ASP 182 N -0.22 1.20 -0.07 3.54 3.85 -1.26 -3.32 116.55 120.26 3hye n ASP 182 Ca -0.15 -2.05 0.03 0.00 -0.71 0.00 0.00 54.79 51.91 3hye n ASP 182 Cb 0.63 -0.47 0.04 0.00 -1.35 0.00 0.00 41.12 39.98 3hye n ASP 182 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3hye n GLU 183 N 0.00 1.69 -2.13 0.11 1.02 -1.26 -4.84 120.64 115.23 3hye n GLU 183 Ca 0.02 -1.59 -0.41 0.00 -0.02 0.00 0.00 57.16 55.16 3hye n GLU 183 Cb 0.28 -1.01 -0.02 0.00 -0.02 0.00 0.00 31.44 30.67 3hye n GLU 183 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3hye s LEU 184 N -1.26 4.42 0.32 -4.62 1.43 -1.21 -4.89 118.68 112.87 3hye s LEU 184 Ca 0.09 2.60 0.01 0.00 -1.03 0.00 0.00 54.13 55.80 3hye s LEU 184 Cb 0.08 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.64 3hye s LEU 184 CO 0.01 -0.56 0.51 -0.70 0.23 0.00 0.00 176.35 175.84 3hye s GLU 185 N -1.00 3.48 0.20 1.70 -6.30 -1.26 -0.62 118.70 114.90 3hye s GLU 185 Ca 0.53 -0.40 -0.12 0.00 -2.50 0.00 0.00 54.97 52.48 3hye s GLU 185 Cb -0.39 -2.71 0.23 0.00 0.00 0.00 0.00 34.13 31.27 3hye s GLU 185 CO 0.46 0.21 1.68 1.25 0.02 0.00 0.00 175.26 178.88 3hye h LEU 186 N 0.89 -0.22 -1.32 2.70 5.85 -1.92 -0.79 115.31 120.50 3hye h LEU 186 Ca -0.50 0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.43 3hye h LEU 186 Cb 1.22 0.23 -0.05 0.00 0.37 0.00 0.00 40.66 42.43 3hye h LEU 186 CO 0.62 -0.08 0.51 -0.33 -0.34 0.00 0.00 178.44 178.82 3hye h GLU 187 N 0.13 0.78 -0.30 1.25 4.39 -1.98 -0.49 114.58 118.36 3hye h GLU 187 Ca 0.28 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.91 3hye h GLU 187 Cb 0.43 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 3hye h GLU 187 CO -0.46 0.52 0.10 -0.44 -1.16 0.00 0.00 179.01 177.57 3hye h ASP 188 N 0.81 0.43 -0.75 1.42 3.45 -1.56 -0.92 116.42 119.30 3hye h ASP 188 Ca 0.35 -0.19 0.00 0.00 0.43 0.00 0.00 57.03 57.62 3hye h ASP 188 Cb 0.31 -0.11 -0.04 0.00 -0.56 0.00 0.00 39.33 38.93 3hye h ASP 188 CO -0.13 0.50 0.47 0.00 -1.57 0.00 0.00 179.24 178.52 3hye h ALA 189 N 0.94 0.95 -0.40 3.45 0.00 -0.53 0.13 119.26 123.81 3hye h ALA 189 Ca 0.10 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3hye h ALA 189 Cb 0.22 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3hye h ALA 189 CO -0.00 0.41 0.24 0.82 0.00 0.00 0.00 179.25 180.71 3hye h ILE 190 N 1.02 1.14 0.20 0.00 2.04 -0.89 0.26 117.51 121.28 3hye h ILE 190 Ca 0.27 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 3hye h ILE 190 Cb -0.07 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 3hye h ILE 190 CO -0.05 0.14 -0.12 -0.74 0.00 0.00 0.00 178.15 177.38 3hye h HIS 191 N 0.52 -0.30 -0.93 1.37 2.76 -0.60 0.30 115.15 118.27 3hye h HIS 191 Ca 0.14 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.37 3hye h HIS 191 Cb 0.01 0.11 -0.06 0.00 1.55 0.00 0.00 27.41 29.02 3hye h HIS 191 CO -0.03 -0.18 0.61 0.82 -1.30 0.00 0.00 177.93 177.84 3hye h ILE 192 N -0.30 1.08 -0.50 6.26 2.04 -0.45 -1.40 117.51 124.23 3hye h ILE 192 Ca -0.02 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 3hye h ILE 192 Cb 0.25 -0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.21 3hye h ILE 192 CO 0.02 0.20 0.27 0.00 0.00 0.00 0.00 178.15 178.64 3hye h ALA 193 N 1.49 0.64 -0.75 1.87 0.00 0.09 -0.94 119.26 121.66 3hye h ALA 193 Ca 0.40 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 3hye h ALA 193 Cb 0.18 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3hye h ALA 193 CO -0.15 0.17 0.27 -0.07 0.00 0.00 0.00 179.25 179.47 3hye h LEU 194 N 0.67 1.06 -0.12 0.00 3.38 -0.08 -1.28 115.31 118.93 3hye h LEU 194 Ca 0.18 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3hye h LEU 194 Cb 0.06 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 3hye h LEU 194 CO -0.03 0.96 0.02 -0.07 0.09 0.00 0.00 178.44 179.41 3hye h LEU 195 N 1.11 0.20 -1.11 1.67 3.38 -0.99 -2.17 115.31 117.40 3hye h LEU 195 Ca 0.25 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.99 3hye h LEU 195 Cb 0.26 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 3hye h LEU 195 CO -0.01 0.41 0.61 0.74 0.09 0.00 0.00 178.44 180.27 3hye h THR 196 N -0.02 1.15 0.00 0.22 2.02 -1.00 -1.96 112.91 113.32 3hye h THR 196 Ca 0.04 -0.40 -0.08 0.00 0.77 0.00 0.00 66.41 66.74 3hye h THR 196 Cb 0.30 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 3hye h THR 196 CO 0.00 0.21 -0.40 0.25 0.37 0.00 0.00 175.52 175.95 3hye h LEU 197 N 1.15 0.00 -0.98 2.58 5.85 -1.10 -3.12 115.31 119.69 3hye h LEU 197 Ca 0.37 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 59.03 3hye h LEU 197 Cb 0.03 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 3hye h LEU 197 CO -0.11 0.40 0.07 0.50 -0.34 0.00 0.00 178.44 178.95 3hye h LYS 198 N 0.00 0.81 0.00 1.25 3.64 -0.68 -2.27 116.57 119.31 3hye h LYS 198 Ca -0.00 -0.19 -0.04 0.00 -1.27 0.00 0.00 60.65 59.15 3hye h LYS 198 Cb 0.92 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.63 3hye h LYS 198 CO 0.05 0.77 -0.17 0.93 -2.27 0.00 0.00 179.45 178.76 3hye h GLU 199 N 0.77 0.00 0.00 1.90 4.39 -1.53 -2.82 114.58 117.29 3hye h GLU 199 Ca 0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.86 3hye h GLU 199 Cb 0.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 3hye h GLU 199 CO 0.01 0.17 -0.80 0.77 -1.16 0.00 0.00 179.01 178.00 3hye h SER 200 N 0.00 0.00 -3.44 1.42 0.02 -1.53 -3.46 113.55 106.57 3hye h SER 200 Ca -0.00 -0.08 -0.59 0.00 -0.84 0.00 0.00 61.79 60.28 3hye h SER 200 Cb 0.37 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.81 3hye h SER 200 CO 0.02 0.04 0.00 -0.69 -1.14 0.00 0.00 176.83 175.06 3hye s VAL 202 N -3.29 5.09 -0.09 2.27 1.01 -0.95 -4.98 120.40 119.47 3hye s VAL 202 Ca 0.02 1.03 -0.09 0.00 0.00 0.00 0.00 61.98 62.94 3hye s VAL 202 Cb 0.10 -3.87 -0.07 0.00 0.00 0.00 0.00 36.38 32.54 3hye s VAL 202 CO 0.76 0.17 0.31 -0.33 0.00 0.00 0.00 175.10 176.01 3hye h GLU 203 N 7.39 -0.11 0.00 2.72 3.07 -1.89 -3.48 114.58 122.28 3hye h GLU 203 Ca -0.34 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.53 3hye h GLU 203 Cb 1.15 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.09 3hye h GLU 203 CO 0.75 0.12 0.00 0.41 -1.40 0.00 0.00 179.01 178.89 3hye n GLY 204 N 1.40 1.12 3.67 -3.84 0.00 -1.26 -5.01 105.19 101.28 3hye n GLY 204 Ca -0.03 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 3hye n GLY 204 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hye n GLU 205 N 0.00 1.88 -3.67 1.61 -0.58 -1.26 -4.99 120.64 113.64 3hye n GLU 205 Ca 0.00 0.66 -0.29 0.00 -0.42 0.00 0.00 57.16 57.11 3hye n GLU 205 Cb 0.00 -2.23 -0.14 0.00 -0.57 0.00 0.00 31.44 28.50 3hye n GLU 205 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3hye s PHE 206 N -1.13 1.59 0.22 -0.32 5.36 -1.26 -4.88 117.98 117.56 3hye s PHE 206 Ca 0.58 -1.98 -0.03 0.00 -0.96 0.00 0.00 56.93 54.53 3hye s PHE 206 Cb -0.58 -1.61 0.01 0.00 -0.34 0.00 0.00 43.02 40.51 3hye s PHE 206 CO 0.60 -0.83 0.35 0.27 -1.46 0.00 0.00 175.22 174.16 3hye n ASN 207 N 4.14 -1.00 0.00 6.13 0.23 -1.26 -5.03 115.26 118.48 3hye n ASN 207 Ca 0.05 -2.12 0.04 0.00 -0.53 0.00 0.00 54.58 52.02 3hye n ASN 207 Cb 0.38 1.78 0.19 0.00 -2.08 0.00 0.00 39.78 40.05 3hye n ASN 207 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hye n GLY 208 N -0.35 -0.47 0.00 4.83 0.00 -1.26 -1.47 105.19 106.47 3hye n GLY 208 Ca -0.01 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.05 3hye n GLY 208 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hye n ASP 209 N -1.23 1.05 -0.11 1.61 8.00 -1.26 -4.26 116.55 120.34 3hye n ASP 209 Ca 0.04 -0.33 0.06 0.00 0.71 0.00 0.00 54.79 55.27 3hye n ASP 209 Cb 0.05 1.47 -0.05 0.00 -0.02 0.00 0.00 41.12 42.58 3hye n ASP 209 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3hye n THR 20 N -1.82 0.00 -4.94 -3.53 -2.24 -0.85 -4.89 114.28 96.01 3hye n THR 20 Ca -0.01 -0.26 -0.33 0.00 -2.27 0.00 0.00 64.05 61.18 3hye n THR 20 Cb 0.36 1.06 -0.14 0.00 -2.10 0.00 0.00 70.33 69.51 3hye n THR 20 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3hye s ILE 210 N -1.98 2.92 -0.15 2.28 -1.09 -0.55 0.72 121.20 123.35 3hye s ILE 210 Ca 0.07 -0.77 0.01 0.00 -2.23 0.00 0.00 60.65 57.73 3hye s ILE 210 Cb 0.10 -2.13 0.02 0.00 -1.58 0.00 0.00 42.46 38.86 3hye s ILE 210 CO 0.44 0.59 -0.19 -0.70 -1.23 0.00 0.00 174.94 173.85 3hye s GLU 211 N -0.64 2.75 -0.06 2.79 2.12 -0.55 -4.79 118.70 120.33 3hye s GLU 211 Ca 0.09 -0.74 -0.05 0.00 0.36 0.00 0.00 54.97 54.63 3hye s GLU 211 Cb -0.11 -2.34 0.02 0.00 0.26 0.00 0.00 34.13 31.96 3hye s GLU 211 CO 0.01 -0.14 0.15 -1.17 -0.54 0.00 0.00 175.26 173.57 3hye s LEU 212 N 1.15 1.37 0.07 2.70 0.20 -1.26 -1.49 118.68 121.41 3hye s LEU 212 Ca -0.00 0.30 0.00 0.00 0.69 0.00 0.00 54.13 55.12 3hye s LEU 212 Cb -0.14 0.50 -0.04 0.00 -0.43 0.00 0.00 46.19 46.08 3hye s LEU 212 CO -0.08 -0.06 -0.05 0.00 -0.29 0.00 0.00 176.35 175.88 3hye s ALA 213 N 0.17 0.68 0.19 5.97 0.00 -0.68 -0.83 121.76 127.26 3hye s ALA 213 Ca -0.01 -1.22 0.03 0.00 0.00 0.00 0.00 51.96 50.77 3hye s ALA 213 Cb -0.02 0.21 -0.05 0.00 0.00 0.00 0.00 23.12 23.26 3hye s ALA 213 CO -0.00 -0.29 -0.04 0.96 0.00 0.00 0.00 175.76 176.39 3hye s ILE 214 N -3.58 0.98 -0.28 0.00 -0.00 -0.06 -1.70 121.20 116.56 3hye s ILE 214 Ca 0.07 -2.03 0.03 0.00 -0.00 0.00 0.00 60.65 58.73 3hye s ILE 214 Cb 0.05 -2.11 0.07 0.00 -0.00 0.00 0.00 42.46 40.47 3hye s ILE 214 CO -0.07 -0.51 -0.07 -0.63 -0.00 0.00 0.00 174.94 173.66 3hye s ILE 215 N -3.46 2.17 0.00 8.37 -1.09 0.29 -1.25 121.20 126.23 3hye s ILE 215 Ca 0.23 -1.79 0.00 0.00 -2.23 0.00 0.00 60.65 56.86 3hye s ILE 215 Cb 0.05 -2.36 0.00 0.00 -1.58 0.00 0.00 42.46 38.57 3hye s ILE 215 CO 0.04 -0.17 0.00 0.61 -1.23 0.00 0.00 174.94 174.19 3hye n GLY 216 N 4.40 4.72 3.75 6.18 0.00 0.40 -1.00 105.19 123.64 3hye n GLY 216 Ca -0.10 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 3hye n GLY 216 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hye s ASP 217 N 1.00 3.79 0.27 1.61 1.01 -1.26 -4.69 116.67 118.40 3hye s ASP 217 Ca 0.00 1.35 -0.29 0.00 0.71 0.00 0.00 52.55 54.32 3hye s ASP 217 Cb 0.00 -2.04 -0.09 0.00 1.01 0.00 0.00 42.92 41.80 3hye s ASP 217 CO 0.00 -2.42 1.18 -1.61 0.21 0.00 0.00 175.17 172.53 3hye s GLU 21 N -5.05 4.53 -0.98 8.23 2.02 -1.26 -4.30 118.70 121.88 3hye s GLU 21 Ca 0.63 1.93 -0.04 0.00 0.02 0.00 0.00 54.97 57.51 3hye s GLU 21 Cb -0.16 -3.17 0.24 0.00 0.10 0.00 0.00 34.13 31.14 3hye s GLU 21 CO 0.56 0.03 0.92 0.09 0.02 0.00 0.00 175.26 176.88 3hye n ASN 21 N 1.41 4.72 0.14 -0.19 3.02 -0.47 -4.90 115.26 118.99 3hye n ASN 21 Ca 0.01 -3.11 0.19 0.00 -0.03 0.00 0.00 54.58 51.64 3hye n ASN 21 Cb 0.44 -1.17 0.76 0.00 -0.61 0.00 0.00 39.78 39.20 3hye n ASN 21 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3hye h PRO 21 N 6.19 0.00 -2.01 3.52 0.13 -1.57 -3.21 132.00 135.05 3hye h PRO 21 Ca 0.17 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3hye h PRO 21 Cb 0.83 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 3hye h PRO 21 CO 0.93 0.00 -0.00 -0.40 -0.23 0.00 0.00 178.00 178.29 3hye n ASP 21 N -3.60 3.49 0.00 1.44 5.75 -1.26 -4.43 116.55 117.94 3hye n ASP 21 Ca 0.05 -1.93 0.00 0.00 -0.01 0.00 0.00 54.79 52.91 3hye n ASP 21 Cb 0.56 -0.74 0.00 0.00 -1.03 0.00 0.00 41.12 39.90 3hye n ASP 21 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 3hye n LEU 21 N 1.71 0.00 0.00 -2.12 7.94 -1.21 -5.02 117.00 118.29 3hye n LEU 21 Ca 0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 3hye n LEU 21 Cb 0.34 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.29 3hye n LEU 21 CO 0.01 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.90 3hye n GLY 21 N 0.00 0.19 3.68 -3.96 0.00 -1.26 -5.04 105.19 98.80 3hye n GLY 21 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3hye n GLY 21 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hye s TYR 21 N -2.00 -0.32 0.12 1.61 1.13 -1.26 -5.18 117.35 111.45 3hye s TYR 21 Ca 0.00 -0.03 0.03 0.00 -1.41 0.00 0.00 57.07 55.65 3hye s TYR 21 Cb 0.00 0.65 -0.04 0.00 -1.10 0.00 0.00 41.96 41.47 3hye s TYR 21 CO 0.00 -1.07 -0.06 0.95 -2.51 0.00 0.00 175.55 172.86 3hye s THR 21 N -3.82 0.83 0.00 -3.49 -4.23 -1.26 -4.92 115.64 98.74 3hye s THR 21 Ca 0.07 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.60 3hye s THR 21 Cb -0.04 -1.80 0.00 0.00 1.34 0.00 0.00 72.50 72.00 3hye s THR 21 CO -0.01 -0.77 0.00 0.61 -0.54 0.00 0.00 174.62 173.91 3hye n GLY 21 N -0.12 1.37 3.29 3.99 0.00 -1.26 -5.08 105.19 107.38 3hye n GLY 21 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 3hye n GLY 21 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hye s ILE 21 N -0.85 4.21 0.28 -0.61 -1.09 -1.26 -4.97 121.20 116.91 3hye s ILE 21 Ca 0.00 -1.25 0.02 0.00 -2.23 0.00 0.00 60.65 57.19 3hye s ILE 21 Cb 0.00 -3.50 0.28 0.00 -1.58 0.00 0.00 42.46 37.67 3hye s ILE 21 CO 0.00 -0.39 1.83 -0.65 -1.23 0.00 0.00 174.94 174.50 3hye h PRO 21 N 8.37 0.96 0.00 2.79 0.11 -2.02 -2.03 132.00 140.18 3hye h PRO 21 Ca -0.23 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3hye h PRO 21 Cb 1.09 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3hye h PRO 21 CO 0.71 0.63 0.00 0.25 -0.21 0.00 0.00 178.00 179.38 3hye n THR 21 N -4.63 0.72 -3.36 -1.15 -2.24 -1.26 -4.45 114.28 97.91 3hye n THR 21 Ca 0.19 0.18 -0.45 0.00 -2.27 0.00 0.00 64.05 61.70 3hye n THR 21 Cb 0.37 -0.86 -0.06 0.00 -2.10 0.00 0.00 70.33 67.68 3hye n THR 21 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3hye s ASP 21 N -2.99 6.09 0.00 3.42 -0.00 -0.76 -4.92 116.67 117.51 3hye s ASP 21 Ca 0.09 -1.75 0.22 0.00 -0.00 0.00 0.00 52.55 51.11 3hye s ASP 21 Cb 0.12 -2.17 -0.11 0.00 -0.00 0.00 0.00 42.92 40.76 3hye s ASP 21 CO 0.34 -0.80 1.00 0.29 -0.00 0.00 0.00 175.17 175.99 3hye n LYS 21 N 5.18 0.68 0.00 8.23 5.02 -1.26 -4.83 118.16 131.19 3hye n LYS 21 Ca -0.13 -0.55 0.00 0.00 -2.02 0.00 0.00 58.31 55.61 3hye n LYS 21 Cb 0.41 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 3hye n LYS 21 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hye n GLY 218 N 1.45 2.48 3.78 0.72 0.00 -1.26 -1.45 105.19 110.92 3hye n GLY 218 Ca 0.07 -2.06 -0.36 0.00 0.00 0.00 0.00 46.02 43.68 3hye n GLY 218 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hye s PRO 219 N -2.35 3.91 0.06 1.61 0.04 -1.26 -4.26 135.00 132.75 3hye s PRO 219 Ca 0.00 1.52 0.23 0.00 0.04 0.00 0.00 61.00 62.79 3hye s PRO 219 Cb 0.00 -2.33 0.11 0.00 0.04 0.00 0.00 34.50 32.32 3hye s PRO 219 CO 0.00 -0.37 1.08 0.54 0.04 0.00 0.00 177.00 178.30 3hye n ARG 220 N -0.53 0.27 -2.92 4.56 1.74 0.03 -1.37 116.66 118.43 3hye n ARG 220 Ca 0.07 0.01 -0.40 0.00 -0.77 0.00 0.00 57.85 56.76 3hye n ARG 220 Cb 0.50 -1.60 -0.05 0.00 -1.02 0.00 0.00 32.46 30.29 3hye n ARG 220 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3hye s PHE 221 N -3.18 3.82 -0.22 -1.55 5.36 -0.83 -0.45 117.98 120.94 3hye s PHE 221 Ca 0.04 1.61 -0.12 0.00 -0.96 0.00 0.00 56.93 57.50 3hye s PHE 221 Cb 0.14 -2.86 0.07 0.00 -0.34 0.00 0.00 43.02 40.04 3hye s PHE 221 CO 0.79 0.35 0.53 0.50 -1.46 0.00 0.00 175.22 175.93 3hye s ARG 222 N -0.47 0.53 -0.03 10.12 3.52 -0.38 -4.99 118.95 127.25 3hye s ARG 222 Ca 0.39 0.97 -0.21 0.00 -0.13 0.00 0.00 55.73 56.75 3hye s ARG 222 Cb -0.22 0.06 -0.05 0.00 -1.56 0.00 0.00 34.95 33.18 3hye s ARG 222 CO 0.26 -0.15 0.61 0.21 -0.81 0.00 0.00 175.30 175.42 3hye s LYS 223 N 1.46 4.36 0.48 5.12 2.20 -1.26 -0.88 119.74 131.21 3hye s LYS 223 Ca -0.09 0.74 -0.20 0.00 -0.36 0.00 0.00 55.97 56.06 3hye s LYS 223 Cb -0.07 -3.38 -0.09 0.00 -1.51 0.00 0.00 37.83 32.78 3hye s LYS 223 CO -0.15 0.27 1.01 -0.51 -0.36 0.00 0.00 175.35 175.60 3hye s LEU 224 N 0.16 3.82 0.43 5.43 1.43 -0.01 -4.98 118.68 124.96 3hye s LEU 224 Ca 0.32 1.82 -0.09 0.00 -1.03 0.00 0.00 54.13 55.16 3hye s LEU 224 Cb -0.18 -4.55 -0.05 0.00 0.03 0.00 0.00 46.19 41.44 3hye s LEU 224 CO 0.17 -0.68 0.78 0.42 0.23 0.00 0.00 176.35 177.26 3hye s THR 225 N -2.14 4.83 0.24 5.49 -4.23 -1.26 -4.76 115.64 113.81 3hye s THR 225 Ca 0.65 0.47 -0.07 0.00 -1.18 0.00 0.00 61.69 61.56 3hye s THR 225 Cb -0.14 -3.78 0.22 0.00 1.34 0.00 0.00 72.50 70.15 3hye s THR 225 CO 0.20 -0.64 1.68 -1.28 -0.54 0.00 0.00 174.62 174.04 3hye h SER 226 N 0.88 -0.07 -0.37 3.99 0.87 -1.94 -0.45 113.55 116.46 3hye h SER 226 Ca -0.47 0.15 -0.00 0.00 -1.23 0.00 0.00 61.79 60.23 3hye h SER 226 Cb 1.19 0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 63.35 3hye h SER 226 CO 0.63 -0.06 0.21 -0.61 -0.53 0.00 0.00 176.83 176.47 3hye h GLN 227 N 0.22 0.50 -0.55 2.24 5.75 -1.93 -2.34 115.11 119.01 3hye h GLN 227 Ca 0.39 -0.05 0.06 0.00 -0.15 0.00 0.00 58.65 58.90 3hye h GLN 227 Cb 0.66 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 29.07 3hye h GLN 227 CO -0.52 0.39 0.37 0.93 -2.65 0.00 0.00 178.83 177.35 3hye h GLU 228 N 0.47 0.49 0.04 1.69 5.08 -1.49 -1.76 114.58 119.09 3hye h GLU 228 Ca 0.13 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3hye h GLU 228 Cb 0.03 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3hye h GLU 228 CO -0.02 0.32 -0.02 0.82 -1.00 0.00 0.00 179.01 179.11 3hye h ILE 229 N 0.50 1.28 -0.88 3.13 2.04 -0.84 -3.14 117.51 119.61 3hye h ILE 229 Ca 0.24 -1.10 0.05 0.00 1.00 0.00 0.00 64.86 65.05 3hye h ILE 229 Cb 0.30 2.00 -0.06 0.00 -0.74 0.00 0.00 36.82 38.33 3hye h ILE 229 CO -0.07 0.27 0.56 0.78 0.00 0.00 0.00 178.15 179.70 3hye h ASN 230 N -0.54 0.90 -0.91 1.72 2.35 -1.10 -0.31 115.58 117.69 3hye h ASN 230 Ca -0.01 0.01 0.13 0.00 -0.55 0.00 0.00 56.30 55.88 3hye h ASN 230 Cb 0.49 -0.19 -0.07 0.00 0.05 0.00 0.00 38.32 38.60 3hye h ASN 230 CO 0.01 0.60 0.58 0.44 -1.65 0.00 0.00 177.43 177.41 3hye h ASP 231 N 1.05 0.74 1.82 5.81 3.32 -1.36 0.64 116.42 128.43 3hye h ASP 231 Ca 0.37 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.45 3hye h ASP 231 Cb 0.10 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 3hye h ASP 231 CO -0.15 0.39 -0.18 0.03 -1.72 0.00 0.00 179.24 177.61 3hye h ARG 232 N 0.79 0.00 0.00 3.56 3.08 -1.10 -3.25 114.38 117.47 3hye h ARG 232 Ca 0.45 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.43 3hye h ARG 232 Cb 0.60 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 3hye h ARG 232 CO -0.21 0.05 -0.32 -0.07 -1.07 0.00 0.00 179.97 178.35 3hye h LEU 233 N 0.00 0.00 -0.92 3.04 3.38 0.71 -2.95 115.31 118.56 3hye h LEU 233 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 3hye h LEU 233 Cb 1.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 3hye h LEU 233 CO 0.01 0.32 -0.51 -0.33 0.09 0.00 0.00 178.44 178.01 3hye h GLU 234 N 0.00 0.00 -0.88 1.13 5.08 -1.48 -2.26 114.58 116.16 3hye h GLU 234 Ca -0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 3hye h GLU 234 Cb 0.93 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.06 3hye h GLU 234 CO 0.04 0.51 0.24 0.00 -1.00 0.00 0.00 179.01 178.81 3hye n ALA 235 N -2.41 4.04 1.52 3.43 0.00 -1.12 -5.16 120.51 120.81 3hye n ALA 235 Ca -0.01 -1.61 0.12 0.00 0.00 0.00 0.00 53.44 51.94 3hye n ALA 235 Cb 0.54 -1.20 0.72 0.00 0.00 0.00 0.00 19.45 19.52 3hye n ALA 235 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39