#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hye n GLY 7 N 0.00 -0.33 0.14 0.00 0.00 -1.26 -2.40 105.19 101.34 3hye n GLY 7 Ca 0.00 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.11 3hye n GLY 7 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hye n TYR 8 N -0.85 0.00 0.83 1.61 4.01 -1.26 -3.55 117.16 117.94 3hye n TYR 8 Ca 0.06 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.81 3hye n TYR 8 Cb 0.03 -0.17 0.07 0.00 -0.31 0.00 0.00 39.34 38.96 3hye n TYR 8 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3hye n ASP 9 N -0.88 0.00 -0.07 7.72 5.75 -1.01 -0.87 116.55 127.20 3hye n ASP 9 Ca 0.14 -0.76 0.01 0.00 -0.01 0.00 0.00 54.79 54.18 3hye n ASP 9 Cb 0.29 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 3hye n ASP 9 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3hye n ARG 10 N -0.59 1.45 -0.09 0.11 1.74 -1.23 -4.55 116.66 113.50 3hye n ARG 10 Ca 0.02 -0.45 -0.11 0.00 -0.77 0.00 0.00 57.85 56.54 3hye n ARG 10 Cb 0.01 -0.91 -0.11 0.00 -1.02 0.00 0.00 32.46 30.42 3hye n ARG 10 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3hye n HIS 11 N -0.22 0.00 -4.55 -1.55 8.25 -0.04 -4.48 115.22 112.62 3hye n HIS 11 Ca 0.01 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.20 3hye n HIS 11 Cb 0.05 -0.80 -0.11 0.00 1.12 0.00 0.00 29.99 30.25 3hye n HIS 11 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 3hye s ILE 12 N -2.41 2.16 -1.46 1.59 -4.36 -1.16 -4.94 121.20 110.62 3hye s ILE 12 Ca -0.17 -2.09 -0.13 0.00 -0.26 0.00 0.00 60.65 57.99 3hye s ILE 12 Cb 0.06 -2.81 0.04 0.00 1.25 0.00 0.00 42.46 40.99 3hye s ILE 12 CO 0.58 -0.11 2.31 0.35 0.24 0.00 0.00 174.94 178.31 3hye n THR 13 N -0.89 3.71 -4.45 8.37 -2.24 -1.26 -4.73 114.28 112.80 3hye n THR 13 Ca -0.05 -3.12 -0.23 0.00 -2.27 0.00 0.00 64.05 58.38 3hye n THR 13 Cb 0.65 -2.57 -0.10 0.00 -2.10 0.00 0.00 70.33 66.20 3hye n THR 13 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3hye s ILE 14 N 2.66 2.35 0.55 2.28 -4.36 -1.26 -4.68 121.20 118.74 3hye s ILE 14 Ca 0.50 -2.34 -0.21 0.00 -0.26 0.00 0.00 60.65 58.34 3hye s ILE 14 Cb 0.14 -2.24 -0.05 0.00 1.25 0.00 0.00 42.46 41.56 3hye s ILE 14 CO -0.08 -0.40 1.23 -0.36 0.24 0.00 0.00 174.94 175.57 3hye s PHE 15 N -2.49 2.49 0.37 1.37 0.08 -1.26 -4.67 117.98 113.87 3hye s PHE 15 Ca 0.28 1.49 0.04 0.00 0.12 0.00 0.00 56.93 58.86 3hye s PHE 15 Cb -0.05 -3.53 -0.01 0.00 -0.57 0.00 0.00 43.02 38.87 3hye s PHE 15 CO 0.13 -2.18 0.54 -1.54 -0.10 0.00 0.00 175.22 172.07 3hye s SER 16 N -1.39 5.95 0.67 1.36 1.04 -0.24 -4.89 113.70 116.19 3hye s SER 16 Ca 0.72 0.01 0.32 0.00 0.48 0.00 0.00 55.95 57.48 3hye s SER 16 Cb -0.32 -1.39 1.72 0.00 0.10 0.00 0.00 66.02 66.13 3hye s SER 16 CO 0.37 -0.51 1.97 -0.65 0.98 0.00 0.00 173.24 175.40 3hye h PRO 17 N 0.73 0.00 -0.13 4.02 0.11 -1.96 0.85 132.00 135.61 3hye h PRO 17 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3hye h PRO 17 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3hye h PRO 17 CO 0.55 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.73 3hye n GLU 18 N -2.93 1.81 -1.82 1.05 4.71 -1.26 -4.91 120.64 117.29 3hye n GLU 18 Ca -0.02 -1.20 -0.04 0.00 -0.01 0.00 0.00 57.16 55.88 3hye n GLU 18 Cb 0.35 -1.43 -0.01 0.00 -1.01 0.00 0.00 31.44 29.34 3hye n GLU 18 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3hye n GLY 19 N 1.19 0.33 3.82 0.62 0.00 0.30 -5.04 105.19 106.41 3hye n GLY 19 Ca 0.17 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 45.21 3hye n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hye s ARG 20 N -3.71 2.92 -0.58 1.61 0.52 -1.25 -4.77 118.95 113.70 3hye s ARG 20 Ca 0.00 -1.02 0.04 0.00 -0.52 0.00 0.00 55.73 54.23 3hye s ARG 20 Cb 0.00 -2.58 0.14 0.00 0.52 0.00 0.00 34.95 33.04 3hye s ARG 20 CO 0.00 0.42 0.34 -0.51 0.02 0.00 0.00 175.30 175.56 3hye s LEU 21 N -3.71 4.37 0.29 2.53 1.43 -1.26 -1.08 118.68 121.25 3hye s LEU 21 Ca 0.32 -3.28 0.03 0.00 -1.03 0.00 0.00 54.13 50.17 3hye s LEU 21 Cb -0.08 -1.60 0.67 0.00 0.03 0.00 0.00 46.19 45.21 3hye s LEU 21 CO 0.25 -0.18 1.76 1.88 0.23 0.00 0.00 176.35 180.28 3hye h TYR 22 N 6.13 0.90 -0.29 0.29 0.05 -1.85 -0.90 116.97 121.30 3hye h TYR 22 Ca 0.00 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.82 3hye h TYR 22 Cb 0.85 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 38.31 3hye h TYR 22 CO 0.57 0.17 0.20 1.96 -1.05 0.00 0.00 178.16 180.01 3hye h GLN 23 N 0.66 0.38 -0.11 4.88 1.08 -1.85 0.31 115.11 120.46 3hye h GLN 23 Ca 0.54 -0.02 -0.20 0.00 -1.45 0.00 0.00 58.65 57.52 3hye h GLN 23 Cb 0.84 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.18 3hye h GLN 23 CO -0.40 0.25 -0.73 0.28 -0.95 0.00 0.00 178.83 177.29 3hye h VAL 24 N 0.39 1.34 -0.26 -0.54 2.07 -1.54 -1.62 116.25 116.09 3hye h VAL 24 Ca 0.11 -2.05 -0.04 0.00 0.82 0.00 0.00 66.70 65.53 3hye h VAL 24 Cb -0.04 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 3hye h VAL 24 CO -0.02 0.63 -0.00 -0.33 0.02 0.00 0.00 177.57 177.86 3hye h GLU 25 N 0.38 0.46 0.00 1.57 5.08 -0.64 -2.19 114.58 119.24 3hye h GLU 25 Ca -0.03 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.13 3hye h GLU 25 Cb 1.32 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 3hye h GLU 25 CO 0.14 0.63 -0.21 1.88 -1.00 0.00 0.00 179.01 180.44 3hye h TYR 26 N 0.24 0.00 -0.25 4.33 0.05 -0.45 -1.53 116.97 119.36 3hye h TYR 26 Ca 0.07 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.73 3hye h TYR 26 Cb 0.42 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.15 3hye h TYR 26 CO 0.04 0.21 -0.35 0.00 -1.05 0.00 0.00 178.16 177.01 3hye h ALA 27 N 1.79 0.93 -0.85 3.88 0.00 -0.92 -1.99 119.26 122.09 3hye h ALA 27 Ca -0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 3hye h ALA 27 Cb 0.43 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3hye h ALA 27 CO 0.03 0.62 0.41 0.74 0.00 0.00 0.00 179.25 181.04 3hye h PHE 28 N 0.46 1.22 -1.00 0.00 0.04 -0.68 -2.12 116.94 114.86 3hye h PHE 28 Ca 0.05 -0.06 0.05 0.00 2.80 0.00 0.00 57.97 60.81 3hye h PHE 28 Cb 0.82 -0.38 -0.06 0.00 2.20 0.00 0.00 35.95 38.54 3hye h PHE 28 CO 0.03 0.88 0.65 -0.22 -0.60 0.00 0.00 178.31 179.05 3hye h LYS 29 N 1.20 1.19 0.00 1.51 1.63 -0.86 -1.59 116.57 119.65 3hye h LYS 29 Ca 0.29 -0.07 -0.02 0.00 -0.85 0.00 0.00 60.65 60.00 3hye h LYS 29 Cb 0.12 -0.27 -0.00 0.00 -0.60 0.00 0.00 32.23 31.48 3hye h LYS 29 CO -0.04 0.79 -0.08 0.00 -3.45 0.00 0.00 179.45 176.66 3hye h ALA 30 N 1.43 1.67 0.00 5.00 0.00 -0.84 -2.75 119.26 123.77 3hye h ALA 30 Ca 0.41 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 3hye h ALA 30 Cb 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3hye h ALA 30 CO -0.15 0.11 -0.02 1.79 0.00 0.00 0.00 179.25 180.98 3hye h THR 31 N 0.00 0.67 -0.02 0.00 1.35 -1.15 -1.47 112.91 112.30 3hye h THR 31 Ca -0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 3hye h THR 31 Cb 0.17 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 3hye h THR 31 CO 0.01 0.02 -0.04 0.59 -0.25 0.00 0.00 175.52 175.84 3hye n ASN 32 N -4.03 1.65 -0.18 5.36 3.02 -1.04 -2.79 115.26 117.26 3hye n ASN 32 Ca -0.03 -1.49 0.26 0.00 -0.03 0.00 0.00 54.58 53.29 3hye n ASN 32 Cb 0.10 0.03 0.68 0.00 -0.61 0.00 0.00 39.78 39.97 3hye n ASN 32 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 3hye h GLN 33 N 2.52 0.09 -0.00 3.52 4.15 -1.38 -0.30 115.11 123.71 3hye h GLN 33 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 3hye h GLN 33 Cb 0.57 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.24 3hye h GLN 33 CO 0.00 0.06 -0.17 0.25 -1.93 0.00 0.00 178.83 177.04 3hye n THR 34 N -4.33 0.00 -3.54 2.39 -2.24 -1.26 -4.93 114.28 100.37 3hye n THR 34 Ca 0.18 -0.04 -0.26 0.00 -2.27 0.00 0.00 64.05 61.66 3hye n THR 34 Cb 0.89 -0.08 0.01 0.00 -2.10 0.00 0.00 70.33 69.05 3hye n THR 34 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3hye n ASN 34 N -1.13 -4.61 -4.55 3.42 4.05 -0.12 -4.96 115.26 107.36 3hye n ASN 34 Ca 0.11 -0.54 -0.31 0.00 0.45 0.00 0.00 54.58 54.29 3hye n ASN 34 Cb 0.30 -3.73 -0.11 0.00 1.23 0.00 0.00 39.78 37.47 3hye n ASN 34 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3hye s ILE 35 N -3.13 3.33 0.07 -1.44 -1.09 -1.26 -4.94 121.20 112.73 3hye s ILE 35 Ca 0.50 -0.96 0.09 0.00 -2.23 0.00 0.00 60.65 58.05 3hye s ILE 35 Cb -0.25 -2.44 -0.03 0.00 -1.58 0.00 0.00 42.46 38.16 3hye s ILE 35 CO 0.61 0.35 -0.25 0.20 -1.23 0.00 0.00 174.94 174.61 3hye s ASN 36 N -1.50 3.07 0.06 3.58 0.01 -1.26 -4.22 114.94 114.68 3hye s ASN 36 Ca 0.17 -0.62 -0.04 0.00 -0.71 0.00 0.00 52.86 51.66 3hye s ASN 36 Cb -0.11 -0.25 -0.03 0.00 0.41 0.00 0.00 41.25 41.27 3hye s ASN 36 CO 0.07 0.22 0.04 -0.94 -1.51 0.00 0.00 177.10 174.98 3hye s SER 37 N -1.45 0.37 0.07 -1.22 1.04 -0.30 -1.34 113.70 110.87 3hye s SER 37 Ca 0.11 -0.88 -0.16 0.00 0.48 0.00 0.00 55.95 55.50 3hye s SER 37 Cb -0.10 0.25 0.03 0.00 0.10 0.00 0.00 66.02 66.30 3hye s SER 37 CO 0.03 -0.64 0.37 -1.48 0.98 0.00 0.00 173.24 172.50 3hye s LEU 38 N -2.90 0.56 0.00 2.42 0.05 0.27 -0.76 118.68 118.33 3hye s LEU 38 Ca 0.06 -0.19 0.01 0.00 0.05 0.00 0.00 54.13 54.06 3hye s LEU 38 Cb 0.07 1.65 -0.01 0.00 -2.05 0.00 0.00 46.19 45.86 3hye s LEU 38 CO -0.10 -0.72 -0.04 0.00 -0.55 0.00 0.00 176.35 174.93 3hye s ALA 39 N -3.05 0.30 0.05 1.48 0.00 0.53 -0.15 121.76 120.93 3hye s ALA 39 Ca -0.02 -0.23 0.01 0.00 0.00 0.00 0.00 51.96 51.72 3hye s ALA 39 Cb 0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 3hye s ALA 39 CO -0.06 0.05 -0.05 0.14 0.00 0.00 0.00 175.76 175.83 3hye s VAL 40 N -0.29 0.39 -0.15 0.00 -7.23 -0.29 -1.58 120.40 111.26 3hye s VAL 40 Ca -0.01 -1.45 -0.06 0.00 -1.81 0.00 0.00 61.98 58.65 3hye s VAL 40 Cb -0.03 -1.03 -0.04 0.00 0.56 0.00 0.00 36.38 35.84 3hye s VAL 40 CO -0.00 -0.70 0.07 -0.13 -0.31 0.00 0.00 175.10 174.03 3hye s ARG 41 N -2.74 3.63 0.00 4.82 0.52 -1.24 -0.89 118.95 123.07 3hye s ARG 41 Ca -0.01 -0.30 0.00 0.00 -0.52 0.00 0.00 55.73 54.90 3hye s ARG 41 Cb -0.01 -3.12 0.00 0.00 0.52 0.00 0.00 34.95 32.33 3hye s ARG 41 CO -0.04 0.50 0.00 0.41 0.02 0.00 0.00 175.30 176.19 3hye n GLY 42 N 2.84 0.67 0.12 -3.53 0.00 0.53 -0.34 105.19 105.49 3hye n GLY 42 Ca -0.18 -1.86 -0.12 0.00 0.00 0.00 0.00 46.02 43.86 3hye n GLY 42 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3hye h LYS 43 N 0.00 0.27 -0.10 1.61 3.64 -1.91 -3.40 116.57 116.69 3hye h LYS 43 Ca 0.00 -0.34 -0.18 0.00 -1.27 0.00 0.00 60.65 58.86 3hye h LYS 43 Cb 0.00 0.11 -0.24 0.00 -0.41 0.00 0.00 32.23 31.69 3hye h LYS 43 CO 0.00 1.08 -0.60 -0.40 -2.27 0.00 0.00 179.45 177.26 3hye n ASP 44 N -3.63 -0.24 -3.78 4.20 3.85 -1.26 -4.87 116.55 110.82 3hye n ASP 44 Ca -0.06 -2.08 -0.09 0.00 -0.71 0.00 0.00 54.79 51.85 3hye n ASP 44 Cb 0.89 0.16 -0.04 0.00 -1.35 0.00 0.00 41.12 40.78 3hye n ASP 44 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hye s THR 46 N -3.72 -0.05 0.02 0.00 2.01 0.07 -0.35 115.64 113.62 3hye s THR 46 Ca 0.21 0.18 0.08 0.00 0.31 0.00 0.00 61.69 62.46 3hye s THR 46 Cb -0.02 -0.14 -0.03 0.00 0.01 0.00 0.00 72.50 72.32 3hye s THR 46 CO 0.10 0.07 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.18 3hye s VAL 47 N 0.98 2.37 -0.07 3.82 1.01 -0.06 -0.32 120.40 128.12 3hye s VAL 47 Ca -0.08 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 60.71 3hye s VAL 47 Cb -0.11 -1.91 0.02 0.00 0.00 0.00 0.00 36.38 34.38 3hye s VAL 47 CO -0.04 0.45 -0.06 0.68 0.00 0.00 0.00 175.10 176.13 3hye s VAL 48 N -0.77 0.74 -0.01 2.92 -7.23 -0.61 -1.14 120.40 114.31 3hye s VAL 48 Ca 0.12 -0.18 0.02 0.00 -1.81 0.00 0.00 61.98 60.13 3hye s VAL 48 Cb -0.10 -0.77 -0.03 0.00 0.56 0.00 0.00 36.38 36.03 3hye s VAL 48 CO 0.02 0.30 -0.02 -0.63 -0.31 0.00 0.00 175.10 174.45 3hye s ILE 49 N 1.32 3.98 -0.19 -0.62 -1.09 0.79 -1.56 121.20 123.82 3hye s ILE 49 Ca -0.04 -0.62 -0.11 0.00 -2.23 0.00 0.00 60.65 57.65 3hye s ILE 49 Cb -0.14 -2.75 0.06 0.00 -1.58 0.00 0.00 42.46 38.06 3hye s ILE 49 CO -0.03 0.41 0.47 -0.55 -1.23 0.00 0.00 174.94 174.01 3hye s SER 50 N -1.42 -0.61 0.49 3.58 0.15 -0.69 -0.56 113.70 114.64 3hye s SER 50 Ca 0.18 1.02 -0.24 0.00 0.70 0.00 0.00 55.95 57.62 3hye s SER 50 Cb -0.11 0.90 -0.07 0.00 -1.71 0.00 0.00 66.02 65.04 3hye s SER 50 CO 0.08 -0.20 1.39 -1.10 1.20 0.00 0.00 173.24 174.61 3hye s GLN 51 N 1.41 3.43 -0.13 5.44 -0.21 -0.45 -1.16 119.66 127.99 3hye s GLN 51 Ca -0.09 2.32 0.02 0.00 0.02 0.00 0.00 55.36 57.62 3hye s GLN 51 Cb -0.08 -2.47 0.01 0.00 1.00 0.00 0.00 33.01 31.48 3hye s GLN 51 CO -0.14 -0.98 -0.19 0.21 -2.12 0.00 0.00 175.29 172.07 3hye s LYS 52 N -2.67 2.68 -0.22 2.91 2.20 0.12 -4.77 119.74 119.99 3hye s LYS 52 Ca 0.66 -0.73 -0.01 0.00 -0.36 0.00 0.00 55.97 55.54 3hye s LYS 52 Cb -0.42 -2.23 0.06 0.00 -1.51 0.00 0.00 37.83 33.73 3hye s LYS 52 CO 0.52 -0.07 -0.02 0.15 -0.36 0.00 0.00 175.35 175.57 3hye s LYS 53 N 0.98 1.25 -0.60 4.03 1.02 -1.26 -4.37 119.74 120.79 3hye s LYS 53 Ca -0.05 -0.76 -0.02 0.00 0.02 0.00 0.00 55.97 55.16 3hye s LYS 53 Cb -0.15 -2.39 0.15 0.00 -0.52 0.00 0.00 37.83 34.93 3hye s LYS 53 CO -0.04 -0.61 0.40 0.08 -0.92 0.00 0.00 175.35 174.27 3hye s VAL 54 N 1.58 3.60 0.02 3.17 1.01 -1.26 -4.97 120.40 123.54 3hye s VAL 54 Ca -0.04 -2.89 -0.27 0.00 0.00 0.00 0.00 61.98 58.78 3hye s VAL 54 Cb -0.18 -3.37 -0.15 0.00 0.00 0.00 0.00 36.38 32.68 3hye s VAL 54 CO -0.07 -0.85 1.14 1.55 0.00 0.00 0.00 175.10 176.87 3hye h PRO 55 N 7.10 -0.94 -6.69 2.72 0.13 -2.01 -3.44 132.00 128.88 3hye h PRO 55 Ca -0.03 0.06 -0.52 0.00 -0.87 0.00 0.00 66.00 64.64 3hye h PRO 55 Cb 0.96 0.21 0.06 0.00 0.13 0.00 0.00 31.00 32.36 3hye h PRO 55 CO 0.71 -0.62 0.98 0.34 -0.23 0.00 0.00 178.00 179.17 3hye s ASP 56 N -4.44 6.39 0.45 1.44 -1.08 -1.26 -4.89 116.67 113.29 3hye s ASP 56 Ca -0.14 2.87 0.27 0.00 -0.52 0.00 0.00 52.55 55.02 3hye s ASP 56 Cb 0.01 -2.61 0.76 0.00 -1.46 0.00 0.00 42.92 39.63 3hye s ASP 56 CO 0.44 -0.95 1.76 0.11 0.52 0.00 0.00 175.17 177.04 3hye h LYS 57 N 6.38 0.00 -0.00 4.34 1.57 -2.06 -3.09 116.57 123.72 3hye h LYS 57 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3hye h LYS 57 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3hye h LYS 57 CO 0.92 0.00 -0.03 1.28 -0.57 0.00 0.00 179.45 181.05 3hye n LEU 58 N -2.99 0.12 -4.85 2.94 4.77 -1.26 -4.88 117.00 110.86 3hye n LEU 58 Ca 0.03 0.19 -0.32 0.00 -0.03 0.00 0.00 56.01 55.88 3hye n LEU 58 Cb 0.43 -0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 41.22 3hye n LEU 58 CO 0.31 0.02 0.47 -0.76 -1.33 0.00 0.00 177.39 176.10 3hye s LEU 59 N -2.51 4.01 -0.71 2.23 1.43 -1.17 -5.01 118.68 116.95 3hye s LEU 59 Ca 0.30 1.36 -0.18 0.00 -1.03 0.00 0.00 54.13 54.57 3hye s LEU 59 Cb 0.20 -4.18 0.12 0.00 0.03 0.00 0.00 46.19 42.37 3hye s LEU 59 CO 0.46 -0.26 0.83 -0.62 0.23 0.00 0.00 176.35 176.99 3hye s ASP 60 N -2.35 6.37 0.49 2.29 3.68 -1.26 -4.92 116.67 120.97 3hye s ASP 60 Ca 0.56 -1.72 0.38 0.00 2.13 0.00 0.00 52.55 53.89 3hye s ASP 60 Cb -0.10 -2.32 1.55 0.00 -1.45 0.00 0.00 42.92 40.60 3hye s ASP 60 CO 0.18 -1.05 1.61 -0.65 0.13 0.00 0.00 175.17 175.39 3hye h PRO 61 N 8.93 0.04 0.00 4.34 0.11 -1.95 0.75 132.00 144.22 3hye h PRO 61 Ca -0.13 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.97 3hye h PRO 61 Cb 1.06 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3hye h PRO 61 CO 1.06 0.02 -0.02 1.79 -0.21 0.00 0.00 178.00 180.64 3hye h THR 62 N 0.04 0.08 -0.38 -1.15 1.35 -2.05 -2.67 112.91 108.13 3hye h THR 62 Ca 0.86 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 66.36 3hye h THR 62 Cb 3.01 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 70.75 3hye h THR 62 CO -0.27 0.02 0.00 0.35 -0.25 0.00 0.00 175.52 175.37 3hye n THR 63 N -3.16 0.48 -3.42 6.82 -2.24 0.26 -4.82 114.28 108.20 3hye n THR 63 Ca -0.01 -0.72 -0.44 0.00 -2.27 0.00 0.00 64.05 60.61 3hye n THR 63 Cb 0.22 0.95 -0.07 0.00 -2.10 0.00 0.00 70.33 69.33 3hye n THR 63 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3hye s VAL 64 N -1.52 4.97 0.02 2.28 1.01 -1.01 -5.04 120.40 121.11 3hye s VAL 64 Ca 0.38 -1.31 -0.11 0.00 0.00 0.00 0.00 61.98 60.95 3hye s VAL 64 Cb 0.23 -4.06 0.01 0.00 0.00 0.00 0.00 36.38 32.55 3hye s VAL 64 CO 0.32 -0.67 0.22 -0.55 0.00 0.00 0.00 175.10 174.42 3hye s SER 65 N 2.80 -0.03 -0.04 3.32 0.15 -1.26 -5.01 113.70 113.63 3hye s SER 65 Ca 0.04 -0.22 0.06 0.00 0.70 0.00 0.00 55.95 56.53 3hye s SER 65 Cb -0.26 0.29 0.10 0.00 -1.71 0.00 0.00 66.02 64.44 3hye s SER 65 CO 0.04 -0.51 0.97 -1.22 1.20 0.00 0.00 173.24 173.73 3hye n TYR 66 N 0.93 0.00 -4.77 3.44 4.02 -1.26 -5.01 117.16 114.51 3hye n TYR 66 Ca -0.20 -0.52 -0.33 0.00 -0.01 0.00 0.00 57.90 56.83 3hye n TYR 66 Cb 0.58 -0.08 -0.12 0.00 -0.02 0.00 0.00 39.34 39.70 3hye n TYR 66 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3hye s ILE 67 N -1.35 3.33 0.04 -0.72 1.01 -1.26 -0.75 121.20 121.50 3hye s ILE 67 Ca 0.11 -0.62 0.03 0.00 0.00 0.00 0.00 60.65 60.17 3hye s ILE 67 Cb 0.10 -2.33 -0.02 0.00 0.01 0.00 0.00 42.46 40.21 3hye s ILE 67 CO 0.01 0.59 -0.10 -0.36 0.00 0.00 0.00 174.94 175.08 3hye s PHE 68 N -0.72 0.89 -0.55 3.97 0.08 0.12 -4.99 117.98 116.78 3hye s PHE 68 Ca 0.11 -0.37 -0.19 0.00 0.12 0.00 0.00 56.93 56.60 3hye s PHE 68 Cb -0.11 -0.53 0.09 0.00 -0.57 0.00 0.00 43.02 41.90 3hye s PHE 68 CO 0.01 -0.01 0.64 0.00 -0.10 0.00 0.00 175.22 175.76 3hye h ILE 70 N 5.89 1.49 -4.17 0.00 1.08 -1.66 -3.48 117.51 116.66 3hye h ILE 70 Ca -0.29 -1.98 -0.25 0.00 -0.39 0.00 0.00 64.86 61.95 3hye h ILE 70 Cb 1.09 2.67 -0.09 0.00 -3.07 0.00 0.00 36.82 37.42 3hye h ILE 70 CO 1.03 0.56 -0.26 -0.94 -0.69 0.00 0.00 178.15 177.85 3hye s SER 71 N -6.49 0.73 0.43 1.72 1.04 -1.01 -4.55 113.70 105.57 3hye s SER 71 Ca -0.15 -1.41 0.18 0.00 0.48 0.00 0.00 55.95 55.05 3hye s SER 71 Cb 0.02 0.61 1.10 0.00 0.10 0.00 0.00 66.02 67.84 3hye s SER 71 CO 0.77 -1.20 1.87 -0.09 0.98 0.00 0.00 173.24 175.58 3hye h ARG 72 N 2.20 0.38 0.00 4.02 9.65 -1.94 -3.04 114.38 125.64 3hye h ARG 72 Ca -0.28 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.55 3hye h ARG 72 Cb 1.24 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 29.73 3hye h ARG 72 CO 0.40 0.25 -1.64 0.25 2.80 0.00 0.00 179.97 182.02 3hye n THR 73 N -4.49 0.08 -3.81 0.20 -2.24 -1.26 -1.65 114.28 101.12 3hye n THR 73 Ca 0.18 -0.33 -0.36 0.00 -2.27 0.00 0.00 64.05 61.27 3hye n THR 73 Cb 0.66 0.11 -0.07 0.00 -2.10 0.00 0.00 70.33 68.93 3hye n THR 73 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3hye s ILE 74 N -2.88 5.39 0.13 2.28 -1.09 -1.15 -4.45 121.20 119.43 3hye s ILE 74 Ca -0.05 0.18 0.10 0.00 -2.23 0.00 0.00 60.65 58.65 3hye s ILE 74 Cb 0.08 -3.42 -0.04 0.00 -1.58 0.00 0.00 42.46 37.50 3hye s ILE 74 CO 0.56 0.51 -0.23 -0.83 -1.23 0.00 0.00 174.94 173.71 3hye s GLY 75 N -0.14 1.63 -0.05 6.18 0.00 -0.02 -1.64 107.32 113.28 3hye s GLY 75 Ca 0.10 -1.43 -0.02 0.00 0.00 0.00 0.00 44.72 43.37 3hye s GLY 75 CO 0.00 -1.41 0.10 -0.29 0.00 0.00 0.00 173.10 171.50 3hye s MET 76 N -2.12 0.03 -0.08 2.90 1.75 -0.33 -0.76 119.30 120.68 3hye s MET 76 Ca 0.16 0.32 0.00 0.00 -1.25 0.00 0.00 55.69 54.92 3hye s MET 76 Cb -0.10 -0.24 -0.03 0.00 2.84 0.00 0.00 34.83 37.30 3hye s MET 76 CO 0.08 -0.19 -0.06 0.54 -0.65 0.00 0.00 175.02 174.74 3hye s VAL 77 N 1.31 3.77 -0.05 10.11 0.11 -0.38 0.11 120.40 135.38 3hye s VAL 77 Ca -0.07 -0.45 0.04 0.00 -2.93 0.00 0.00 61.98 58.57 3hye s VAL 77 Cb -0.12 -2.55 -0.02 0.00 -1.53 0.00 0.00 36.38 32.15 3hye s VAL 77 CO -0.05 0.59 -0.16 -0.69 -3.33 0.00 0.00 175.10 171.46 3hye s VAL 78 N -0.72 2.91 -0.35 2.04 1.01 0.07 -1.30 120.40 124.06 3hye s VAL 78 Ca 0.11 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 3hye s VAL 78 Cb -0.11 -2.13 0.09 0.00 0.00 0.00 0.00 36.38 34.23 3hye s VAL 78 CO 0.02 0.59 0.09 0.20 0.00 0.00 0.00 175.10 176.00 3hye s ASN 79 N -0.69 5.00 0.00 3.32 -0.87 -0.62 -4.90 114.94 116.19 3hye s ASN 79 Ca 0.11 -1.79 0.00 0.00 -1.57 0.00 0.00 52.86 49.61 3hye s ASN 79 Cb -0.11 -1.74 0.00 0.00 -0.02 0.00 0.00 41.25 39.39 3hye s ASN 79 CO 0.00 -0.40 0.00 0.61 -2.57 0.00 0.00 177.10 174.74 3hye n GLY 80 N 4.53 1.16 3.56 0.66 0.00 -1.12 -1.89 105.19 112.08 3hye n GLY 80 Ca -0.05 -1.38 -0.45 0.00 0.00 0.00 0.00 46.02 44.14 3hye n GLY 80 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hye n PRO 81 N -1.29 1.10 -0.22 1.61 -0.02 -1.26 -4.78 135.00 130.16 3hye n PRO 81 Ca 0.00 0.39 -0.02 0.00 -2.02 0.00 0.00 63.50 61.85 3hye n PRO 81 Cb 0.00 -1.69 0.19 0.00 -0.02 0.00 0.00 33.50 31.97 3hye n PRO 81 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3hye h ILE 82 N 1.83 1.22 -0.80 4.25 6.09 -1.98 -2.01 117.51 126.11 3hye h ILE 82 Ca -0.38 -0.59 -0.01 0.00 -1.37 0.00 0.00 64.86 62.51 3hye h ILE 82 Cb 1.36 0.28 -0.04 0.00 0.47 0.00 0.00 36.82 38.89 3hye h ILE 82 CO 0.60 0.26 0.45 1.55 -3.07 0.00 0.00 178.15 177.93 3hye h PRO 83 N 1.01 1.12 0.00 2.19 0.13 -2.00 0.88 132.00 135.33 3hye h PRO 83 Ca 0.25 -0.13 -0.12 0.00 -0.87 0.00 0.00 66.00 65.14 3hye h PRO 83 Cb 0.07 -0.22 -0.02 0.00 0.13 0.00 0.00 31.00 30.96 3hye h PRO 83 CO -0.04 0.82 -0.56 -0.44 -0.23 0.00 0.00 178.00 177.56 3hye h ASP 84 N 1.12 0.00 -0.47 1.44 3.45 -1.89 -2.40 116.42 117.66 3hye h ASP 84 Ca 0.28 0.00 -0.13 0.00 0.43 0.00 0.00 57.03 57.62 3hye h ASP 84 Cb 0.02 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.78 3hye h ASP 84 CO -0.05 0.56 -0.20 0.00 -1.57 0.00 0.00 179.24 177.98 3hye h ALA 85 N 1.44 0.72 0.00 3.45 0.00 -0.56 -2.03 119.26 122.28 3hye h ALA 85 Ca -0.01 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 3hye h ALA 85 Cb 0.99 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3hye h ALA 85 CO 0.07 0.67 -0.41 0.00 0.00 0.00 0.00 179.25 179.58 3hye h ARG 86 N 0.85 0.00 -0.07 0.00 3.08 -0.73 -1.28 114.38 116.22 3hye h ARG 86 Ca 0.11 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 3hye h ARG 86 Cb 0.77 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.82 3hye h ARG 86 CO 0.06 0.41 -0.03 -0.97 -1.07 0.00 0.00 179.97 178.37 3hye h ASN 87 N 0.00 0.15 -0.67 7.04 -0.00 -1.21 -1.82 115.58 119.07 3hye h ASN 87 Ca -0.00 -0.41 -0.01 0.00 -0.00 0.00 0.00 56.30 55.87 3hye h ASN 87 Cb 0.96 -0.04 -0.03 0.00 -0.00 0.00 0.00 38.32 39.21 3hye h ASN 87 CO 0.05 0.53 0.37 0.00 -0.00 0.00 0.00 177.43 178.39 3hye h ALA 88 N 0.63 0.86 -0.30 1.57 0.00 -1.20 -2.31 119.26 118.50 3hye h ALA 88 Ca 0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3hye h ALA 88 Cb 0.47 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3hye h ALA 88 CO 0.01 0.37 0.17 0.00 0.00 0.00 0.00 179.25 179.80 3hye h ALA 89 N 1.18 0.39 -0.02 0.00 0.00 -1.19 0.61 119.26 120.24 3hye h ALA 89 Ca 0.24 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3hye h ALA 89 Cb 0.03 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3hye h ALA 89 CO -0.04 -0.08 0.01 1.25 0.00 0.00 0.00 179.25 180.39 3hye h LEU 90 N 0.37 0.02 -0.50 0.00 5.85 -1.18 -0.57 115.31 119.29 3hye h LEU 90 Ca 0.11 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.85 3hye h LEU 90 Cb 0.07 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 3hye h LEU 90 CO -0.02 0.02 0.28 -0.09 -0.34 0.00 0.00 178.44 178.29 3hye h ARG 91 N 0.02 0.53 -0.83 1.25 9.65 -1.28 -1.04 114.38 122.67 3hye h ARG 91 Ca 0.01 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 3hye h ARG 91 Cb 0.01 -0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 28.43 3hye h ARG 91 CO -0.00 0.35 0.46 0.00 2.80 0.00 0.00 179.97 183.58 3hye h ALA 92 N 1.25 1.25 -0.52 2.80 0.00 -0.52 0.87 119.26 124.39 3hye h ALA 92 Ca 0.21 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3hye h ALA 92 Cb 0.08 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3hye h ALA 92 CO -0.12 0.61 -0.10 0.87 0.00 0.00 0.00 179.25 180.51 3hye h LYS 93 N 1.15 0.99 -0.34 0.00 1.57 -0.58 0.21 116.57 119.56 3hye h LYS 93 Ca 0.29 -0.37 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 3hye h LYS 93 Cb 0.01 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 3hye h LYS 93 CO -0.05 1.04 -0.03 0.00 -0.57 0.00 0.00 179.45 179.84 3hye h ALA 94 N 0.91 0.46 -0.83 3.86 0.00 -0.74 -1.29 119.26 121.63 3hye h ALA 94 Ca 0.14 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3hye h ALA 94 Cb 0.66 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 3hye h ALA 94 CO 0.05 0.25 0.39 0.93 0.00 0.00 0.00 179.25 180.86 3hye h GLU 95 N 0.41 1.21 -0.70 0.00 4.39 -0.73 -0.76 114.58 118.41 3hye h GLU 95 Ca 0.09 -0.19 -0.07 0.00 0.34 0.00 0.00 59.36 59.54 3hye h GLU 95 Cb 0.50 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.91 3hye h GLU 95 CO 0.02 0.94 0.17 0.00 -1.16 0.00 0.00 179.01 178.98 3hye h ALA 96 N 1.23 0.92 -0.12 3.43 0.00 -0.70 -1.81 119.26 122.22 3hye h ALA 96 Ca 0.29 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3hye h ALA 96 Cb 0.14 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3hye h ALA 96 CO -0.03 0.64 -0.18 0.00 0.00 0.00 0.00 179.25 179.68 3hye h ALA 97 N 1.08 0.18 -0.83 0.00 0.00 -0.98 -3.00 119.26 115.71 3hye h ALA 97 Ca 0.22 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3hye h ALA 97 Cb 0.37 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3hye h ALA 97 CO 0.00 0.11 0.54 1.49 0.00 0.00 0.00 179.25 181.39 3hye h GLU 98 N -0.08 1.11 -0.44 0.00 4.81 -1.10 -2.14 114.58 116.74 3hye h GLU 98 Ca 0.01 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.21 3hye h GLU 98 Cb 0.75 -0.25 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 3hye h GLU 98 CO 0.04 0.74 0.21 0.35 -0.73 0.00 0.00 179.01 179.63 3hye h PHE 99 N 1.13 0.39 -0.72 0.92 3.04 -1.34 -0.66 116.94 119.70 3hye h PHE 99 Ca 0.30 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.25 3hye h PHE 99 Cb -0.11 -0.11 -0.03 0.00 2.56 0.00 0.00 35.95 38.26 3hye h PHE 99 CO -0.01 0.19 0.36 -0.09 -2.02 0.00 0.00 178.31 176.74 3hye h ARG 100 N 0.43 1.02 -0.57 1.11 9.65 -1.32 0.59 114.38 125.28 3hye h ARG 100 Ca 0.20 -0.14 -0.04 0.00 -1.10 0.00 0.00 59.98 58.90 3hye h ARG 100 Cb 0.12 -0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 28.48 3hye h ARG 100 CO -0.15 0.79 0.21 -0.92 2.80 0.00 0.00 179.97 182.70 3hye h TYR 101 N 1.00 0.89 0.24 2.20 3.20 -0.83 -1.48 116.97 122.18 3hye h TYR 101 Ca 0.25 -0.08 -0.34 0.00 3.14 0.00 0.00 58.73 61.70 3hye h TYR 101 Cb 0.09 -0.26 0.03 0.00 1.54 0.00 0.00 36.73 38.12 3hye h TYR 101 CO 0.00 0.73 -1.57 0.87 -1.64 0.00 0.00 178.16 176.56 3hye h LYS 102 N 0.79 0.50 -0.02 1.82 1.57 -0.94 -3.39 116.57 116.91 3hye h LYS 102 Ca 0.19 -0.85 0.00 0.00 -1.87 0.00 0.00 60.65 58.11 3hye h LYS 102 Cb 0.23 0.32 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3hye h LYS 102 CO -0.01 1.41 -0.25 0.66 -0.57 0.00 0.00 179.45 180.69 3hye n TYR 103 N -3.69 0.00 -0.90 -1.35 4.01 0.18 -5.00 117.16 110.41 3hye n TYR 103 Ca -0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 3hye n TYR 103 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.13 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 1.24 1.14 3.28 2.72 0.00 -0.56 -5.00 105.19 108.00 3hye n GLY 104 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 3hye n GLY 104 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hye s TYR 105 N -3.88 0.82 0.17 1.61 -0.85 -1.25 -5.03 117.35 108.94 3hye s TYR 105 Ca 0.00 -1.13 -0.31 0.00 -0.52 0.00 0.00 57.07 55.12 3hye s TYR 105 Cb 0.00 -0.33 -0.09 0.00 0.38 0.00 0.00 41.96 41.93 3hye s TYR 105 CO 0.00 -0.68 1.36 -0.51 -1.52 0.00 0.00 175.55 174.20 3hye s ASP 106 N -3.08 6.84 0.11 -0.18 -0.00 -1.26 -3.84 116.67 115.27 3hye s ASP 106 Ca 0.29 2.40 -0.31 0.00 -0.00 0.00 0.00 52.55 54.92 3hye s ASP 106 Cb 0.05 -2.60 -0.09 0.00 -0.00 0.00 0.00 42.92 40.28 3hye s ASP 106 CO 0.07 -0.60 1.68 -0.32 -0.00 0.00 0.00 175.17 176.00 3hye s MET 107 N 0.40 4.18 0.52 8.23 -2.45 -1.26 -4.95 119.30 123.98 3hye s MET 107 Ca 0.60 2.42 -0.20 0.00 -1.25 0.00 0.00 55.69 57.26 3hye s MET 107 Cb -0.37 -3.46 -0.06 0.00 1.25 0.00 0.00 34.83 32.19 3hye s MET 107 CO 0.35 -0.73 1.13 -2.14 1.05 0.00 0.00 175.02 174.68 3hye s PRO 108 N 2.20 3.46 0.17 4.11 0.02 -1.26 -4.85 135.00 138.86 3hye s PRO 108 Ca 0.75 1.63 -0.16 0.00 0.02 0.00 0.00 61.00 63.25 3hye s PRO 108 Cb -0.43 -2.09 0.13 0.00 0.02 0.00 0.00 34.50 32.13 3hye s PRO 108 CO 0.33 -0.76 1.69 0.00 -0.33 0.00 0.00 177.00 177.92 3hye h ASP 110 N 0.08 0.60 -0.29 0.00 -0.00 -1.95 -1.16 116.42 113.70 3hye h ASP 110 Ca 0.21 -0.12 -0.11 0.00 -0.00 0.00 0.00 57.03 57.01 3hye h ASP 110 Cb 0.31 -0.16 -0.01 0.00 -0.00 0.00 0.00 39.33 39.48 3hye h ASP 110 CO -0.37 0.67 -0.23 0.58 -0.00 0.00 0.00 179.24 179.88 3hye h VAL 111 N 0.60 1.30 -0.79 4.15 2.07 -1.72 -0.39 116.25 121.47 3hye h VAL 111 Ca 0.13 -1.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.26 3hye h VAL 111 Cb 0.37 1.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 3hye h VAL 111 CO 0.01 0.44 0.46 0.25 0.02 0.00 0.00 177.57 178.75 3hye h LEU 112 N 0.41 0.96 0.04 2.57 5.85 -0.91 0.03 115.31 124.28 3hye h LEU 112 Ca 0.05 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3hye h LEU 112 Cb 0.79 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.57 3hye h LEU 112 CO 0.06 0.76 -0.02 0.00 -0.34 0.00 0.00 178.44 178.90 3hye h ALA 113 N 1.40 -0.06 -0.58 1.25 0.00 -0.94 -0.43 119.26 119.90 3hye h ALA 113 Ca 0.28 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.17 3hye h ALA 113 Cb -0.01 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3hye h ALA 113 CO -0.05 -0.49 0.33 -0.22 0.00 0.00 0.00 179.25 178.83 3hye h LYS 114 N -0.15 0.63 0.03 0.00 3.64 -0.65 0.93 116.57 120.99 3hye h LYS 114 Ca -0.01 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.35 3hye h LYS 114 Cb 0.13 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 3hye h LYS 114 CO 0.01 0.42 -0.13 -0.09 -2.27 0.00 0.00 179.45 177.38 3hye h ARG 115 N 0.65 -0.23 -0.36 1.90 9.65 -0.74 0.12 114.38 125.38 3hye h ARG 115 Ca 0.25 0.02 -0.05 0.00 -1.10 0.00 0.00 59.98 59.09 3hye h ARG 115 Cb 0.08 0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.70 3hye h ARG 115 CO -0.13 -0.15 -0.01 0.52 2.80 0.00 0.00 179.97 183.00 3hye h MET 116 N -0.24 0.57 -0.59 0.20 2.86 -0.70 -1.88 114.93 115.14 3hye h MET 116 Ca 0.04 -0.13 -0.06 0.00 -2.06 0.00 0.00 59.70 57.49 3hye h MET 116 Cb 0.28 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 3hye h MET 116 CO -0.11 0.59 0.12 0.00 1.06 0.00 0.00 176.91 178.58 3hye h ALA 117 N 1.46 0.78 -0.62 6.32 0.00 -0.24 -1.58 119.26 125.38 3hye h ALA 117 Ca 0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3hye h ALA 117 Cb 0.36 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3hye h ALA 117 CO 0.01 0.51 0.32 -0.91 0.00 0.00 0.00 179.25 179.18 3hye h ASN 118 N 0.87 0.79 -0.88 0.00 -0.26 -0.33 0.30 115.58 116.07 3hye h ASN 118 Ca 0.18 -0.11 0.02 0.00 -0.56 0.00 0.00 56.30 55.83 3hye h ASN 118 Cb 0.38 -0.20 -0.05 0.00 -1.06 0.00 0.00 38.32 37.39 3hye h ASN 118 CO 0.01 0.68 0.58 -0.07 -1.06 0.00 0.00 177.43 177.57 3hye h LEU 119 N 0.84 0.98 -0.30 1.61 4.07 -1.11 -2.10 115.31 119.31 3hye h LEU 119 Ca 0.21 -0.02 -0.04 0.00 0.08 0.00 0.00 57.88 58.12 3hye h LEU 119 Cb 0.08 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.58 3hye h LEU 119 CO -0.03 0.70 0.02 0.28 -1.08 0.00 0.00 178.44 178.33 3hye h SER 120 N 1.16 0.50 -0.99 -0.43 0.02 -0.39 -2.54 113.55 110.87 3hye h SER 120 Ca 0.34 -0.29 0.21 0.00 -0.84 0.00 0.00 61.79 61.21 3hye h SER 120 Cb -0.07 -0.13 -0.09 0.00 0.14 0.00 0.00 62.40 62.24 3hye h SER 120 CO -0.09 0.66 0.62 -0.61 -1.14 0.00 0.00 176.83 176.27 3hye h GLN 121 N 0.32 0.57 -0.44 3.45 -0.00 0.12 -0.96 115.11 118.17 3hye h GLN 121 Ca 0.09 -0.03 -0.09 0.00 -0.00 0.00 0.00 58.65 58.62 3hye h GLN 121 Cb 0.39 -0.13 -0.02 0.00 0.00 0.00 0.00 27.48 27.73 3hye h GLN 121 CO 0.01 0.38 -0.08 0.82 0.00 0.00 0.00 178.83 179.95 3hye h ILE 122 N 0.59 1.25 0.00 2.39 2.04 -0.96 -1.91 117.51 120.90 3hye h ILE 122 Ca 0.56 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 65.29 3hye h ILE 122 Cb 1.12 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 3hye h ILE 122 CO -0.32 0.39 0.00 1.88 0.00 0.00 0.00 178.15 180.10 3hye h TYR 123 N 0.71 0.00 0.00 1.37 0.05 -1.08 0.15 116.97 118.17 3hye h TYR 123 Ca 0.12 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.78 3hye h TYR 123 Cb 0.55 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.28 3hye h TYR 123 CO 0.03 0.00 -0.60 1.15 -1.05 0.00 0.00 178.16 177.69 3hye h THR 124 N 0.00 1.11 0.00 -2.88 2.02 -1.05 -3.37 112.91 108.74 3hye h THR 124 Ca 0.00 -2.35 -0.22 0.00 0.77 0.00 0.00 66.41 64.61 3hye h THR 124 Cb 0.42 2.40 -0.04 0.00 -1.74 0.00 0.00 68.15 69.19 3hye h THR 124 CO 0.00 0.59 -1.83 1.67 0.37 0.00 0.00 175.52 176.32 3hye n GLN 125 N -3.36 1.93 -3.53 6.66 7.27 -0.51 -4.78 117.38 121.06 3hye n GLN 125 Ca 0.01 -0.01 -0.37 0.00 0.07 0.00 0.00 57.00 56.70 3hye n GLN 125 Cb 0.73 -1.32 -0.08 0.00 2.41 0.00 0.00 30.24 31.98 3hye n GLN 125 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 3hye s ARG 126 N -2.32 4.16 0.43 3.69 0.52 0.42 -4.99 118.95 120.85 3hye s ARG 126 Ca -0.06 -0.01 0.10 0.00 -0.52 0.00 0.00 55.73 55.25 3hye s ARG 126 Cb 0.04 -3.51 0.94 0.00 0.52 0.00 0.00 34.95 32.94 3hye s ARG 126 CO 0.51 0.07 2.03 0.00 0.02 0.00 0.00 175.30 177.93 3hye h ALA 127 N 7.23 1.71 0.00 2.13 0.00 -1.87 -3.01 119.26 125.45 3hye h ALA 127 Ca -0.38 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3hye h ALA 127 Cb 1.16 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3hye h ALA 127 CO 0.71 0.23 0.00 0.10 0.00 0.00 0.00 179.25 180.29 3hye h TYR 128 N 0.28 0.00 -3.30 0.00 -0.00 -1.94 -3.44 116.97 108.57 3hye h TYR 128 Ca 0.07 0.00 -0.61 0.00 0.00 0.00 0.00 58.73 58.19 3hye h TYR 128 Cb 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 36.73 36.72 3hye h TYR 128 CO 0.00 0.00 -0.51 -1.64 -0.00 0.00 0.00 178.16 176.01 3hye s MET 129 N -3.16 4.12 0.27 0.10 -1.94 -1.14 -5.10 119.30 112.44 3hye s MET 129 Ca 0.09 -0.26 -0.06 0.00 -1.71 0.00 0.00 55.69 53.75 3hye s MET 129 Cb 0.11 -3.37 -0.06 0.00 2.01 0.00 0.00 34.83 33.53 3hye s MET 129 CO 0.57 0.27 0.54 -0.98 -0.01 0.00 0.00 175.02 175.41 3hye s ARG 130 N 0.41 3.67 0.81 2.03 1.70 -1.26 -4.69 118.95 121.62 3hye s ARG 130 Ca 0.06 0.06 -0.11 0.00 -0.47 0.00 0.00 55.73 55.27 3hye s ARG 130 Cb -0.12 -2.66 0.08 0.00 -0.57 0.00 0.00 34.95 31.68 3hye s ARG 130 CO -0.01 0.25 1.09 -2.14 -1.08 0.00 0.00 175.30 173.41 3hye s PRO 131 N -3.34 1.98 -0.09 3.89 0.02 -1.26 -4.87 135.00 131.33 3hye s PRO 131 Ca 0.44 0.91 -0.14 0.00 0.02 0.00 0.00 61.00 62.23 3hye s PRO 131 Cb -0.11 -1.88 -0.05 0.00 0.02 0.00 0.00 34.50 32.48 3hye s PRO 131 CO 0.28 -1.76 0.35 -0.51 -0.33 0.00 0.00 177.00 175.03 3hye s LEU 132 N -5.94 4.35 -1.25 -5.54 1.43 -1.26 -4.98 118.68 105.49 3hye s LEU 132 Ca 0.61 0.73 -0.09 0.00 -1.03 0.00 0.00 54.13 54.35 3hye s LEU 132 Cb -0.16 -2.48 -0.13 0.00 0.03 0.00 0.00 46.19 43.45 3hye s LEU 132 CO 0.56 0.19 3.11 0.61 0.23 0.00 0.00 176.35 181.05 3hye n GLY 133 N 2.65 3.99 3.16 -3.19 0.00 -1.26 -4.58 105.19 105.96 3hye n GLY 133 Ca -0.13 -1.45 -0.08 0.00 0.00 0.00 0.00 46.02 44.36 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 1.81 0.16 -0.09 1.61 -7.23 -1.26 -3.31 120.40 112.09 3hye s VAL 134 Ca 0.69 -1.58 0.04 0.00 -1.81 0.00 0.00 61.98 59.32 3hye s VAL 134 Cb 0.21 -1.57 0.00 0.00 0.56 0.00 0.00 36.38 35.59 3hye s VAL 134 CO -0.05 -0.74 -0.22 -0.63 -0.31 0.00 0.00 175.10 173.15 3hye s ILE 135 N -3.92 1.86 -0.15 -0.62 1.01 -0.79 -3.82 121.20 114.76 3hye s ILE 135 Ca 0.10 -0.91 -0.02 0.00 0.00 0.00 0.00 60.65 59.82 3hye s ILE 135 Cb 0.06 -1.62 -0.02 0.00 0.01 0.00 0.00 42.46 40.90 3hye s ILE 135 CO -0.08 0.52 -0.08 -0.76 0.00 0.00 0.00 174.94 174.54 3hye s LEU 136 N 0.38 2.94 -0.26 2.97 1.43 0.15 -1.59 118.68 124.70 3hye s LEU 136 Ca -0.17 -0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 52.64 3hye s LEU 136 Cb -0.17 -1.69 0.03 0.00 0.03 0.00 0.00 46.19 44.38 3hye s LEU 136 CO 0.08 0.14 -0.04 -0.89 0.23 0.00 0.00 176.35 175.86 3hye s THR 137 N 0.54 3.03 -0.12 5.49 2.01 -0.42 -0.23 115.64 125.94 3hye s THR 137 Ca -0.06 -1.00 -0.06 0.00 0.31 0.00 0.00 61.69 60.88 3hye s THR 137 Cb -0.15 -2.56 -0.04 0.00 0.01 0.00 0.00 72.50 69.77 3hye s THR 137 CO 0.03 0.16 0.11 -0.36 -0.69 0.00 0.00 174.62 173.88 3hye s PHE 138 N 1.34 3.51 0.03 4.92 0.40 0.18 -1.25 117.98 127.11 3hye s PHE 138 Ca 0.00 0.46 -0.01 0.00 -0.60 0.00 0.00 56.93 56.78 3hye s PHE 138 Cb -0.17 -1.92 -0.03 0.00 0.51 0.00 0.00 43.02 41.42 3hye s PHE 138 CO -0.03 0.67 -0.02 0.14 0.70 0.00 0.00 175.22 176.68 3hye s VAL 139 N -0.95 0.14 -0.00 -0.44 -7.23 0.06 -1.35 120.40 110.62 3hye s VAL 139 Ca 0.14 -1.18 0.00 0.00 -1.81 0.00 0.00 61.98 59.13 3hye s VAL 139 Cb -0.12 -0.66 0.00 0.00 0.56 0.00 0.00 36.38 36.16 3hye s VAL 139 CO 0.03 -0.65 0.00 -1.54 -0.31 0.00 0.00 175.10 172.63 3hye n SER 140 N 1.12 0.00 -3.93 4.85 3.41 -0.96 -0.84 113.62 117.26 3hye n SER 140 Ca -0.21 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.11 3hye n SER 140 Cb 0.57 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.39 3hye n SER 140 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3hye s VAL 141 N -2.02 2.69 0.40 -3.33 1.01 -1.26 0.10 120.40 117.98 3hye s VAL 141 Ca 0.00 -3.64 -0.27 0.00 0.00 0.00 0.00 61.98 58.08 3hye s VAL 141 Cb 0.00 -2.83 -0.10 0.00 0.00 0.00 0.00 36.38 33.44 3hye s VAL 141 CO 0.00 -0.87 1.36 -0.67 0.00 0.00 0.00 175.10 174.92 3hye n ASP 142 N 2.74 3.07 0.21 3.32 2.03 -0.36 -4.64 116.55 122.92 3hye n ASP 142 Ca 0.10 1.17 0.15 0.00 0.52 0.00 0.00 54.79 56.72 3hye n ASP 142 Cb 0.33 -1.55 0.64 0.00 -0.72 0.00 0.00 41.12 39.82 3hye n ASP 142 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3hye h GLU 143 N 2.46 0.00 0.00 -0.67 4.11 -1.99 0.77 114.58 119.26 3hye h GLU 143 Ca -0.49 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 58.76 3hye h GLU 143 Cb 1.27 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 3hye h GLU 143 CO 0.62 0.00 -1.68 0.39 0.07 0.00 0.00 179.01 178.41 3hye n GLU 14 N -2.64 0.73 -0.00 1.06 1.02 -1.26 -4.75 120.64 114.80 3hye n GLU 14 Ca 0.01 0.06 0.10 0.00 -0.02 0.00 0.00 57.16 57.30 3hye n GLU 14 Cb 0.23 -1.24 -0.11 0.00 -0.02 0.00 0.00 31.44 30.30 3hye n GLU 14 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3hye n LEU 144 N -2.75 0.87 0.00 -4.62 4.77 -1.23 -5.10 117.00 108.94 3hye n LEU 144 Ca -0.20 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 3hye n LEU 144 Cb 0.74 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.82 3hye n LEU 144 CO 0.14 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 3hye n GLY 145 N 1.47 -1.47 3.56 -0.72 0.00 0.26 -4.83 105.19 103.46 3hye n GLY 145 Ca 0.03 -1.29 -0.54 0.00 0.00 0.00 0.00 46.02 44.22 3hye n GLY 145 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hye n PRO 146 N -0.10 0.77 -3.85 1.61 -0.02 -1.26 -1.22 135.00 130.94 3hye n PRO 146 Ca 0.00 0.28 -0.13 0.00 -2.02 0.00 0.00 63.50 61.63 3hye n PRO 146 Cb 0.00 -1.86 -0.14 0.00 -0.02 0.00 0.00 33.50 31.48 3hye n PRO 146 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3hye s SER 147 N 0.29 -0.01 -0.10 2.55 0.01 0.11 -4.86 113.70 111.69 3hye s SER 147 Ca 0.86 0.05 -0.00 0.00 1.31 0.00 0.00 55.95 58.16 3hye s SER 147 Cb -1.05 0.03 0.02 0.00 0.21 0.00 0.00 66.02 65.23 3hye s SER 147 CO 0.50 -0.03 -0.07 -0.63 0.41 0.00 0.00 173.24 173.43 3hye s ILE 148 N 0.21 0.93 -0.04 1.44 1.01 -1.26 -2.28 121.20 121.22 3hye s ILE 148 Ca -0.02 -0.24 0.02 0.00 0.00 0.00 0.00 60.65 60.41 3hye s ILE 148 Cb -0.02 -0.96 0.02 0.00 0.01 0.00 0.00 42.46 41.50 3hye s ILE 148 CO -0.01 0.35 -0.07 -0.31 0.00 0.00 0.00 174.94 174.90 3hye s TYR 149 N 1.67 0.91 -0.01 3.97 2.02 -0.46 -0.79 117.35 124.66 3hye s TYR 149 Ca 0.04 -0.27 0.05 0.00 -0.37 0.00 0.00 57.07 56.52 3hye s TYR 149 Cb -0.13 -0.73 -0.01 0.00 -0.40 0.00 0.00 41.96 40.69 3hye s TYR 149 CO -0.07 -0.18 -0.17 0.21 -1.57 0.00 0.00 175.55 173.77 3hye s LYS 150 N 0.66 1.37 0.06 -0.62 2.20 -1.08 0.50 119.74 122.84 3hye s LYS 150 Ca -0.10 -0.62 0.08 0.00 -0.36 0.00 0.00 55.97 54.97 3hye s LYS 150 Cb -0.13 -1.33 -0.03 0.00 -1.51 0.00 0.00 37.83 34.83 3hye s LYS 150 CO 0.01 0.36 -0.22 0.95 -0.36 0.00 0.00 175.35 176.09 3hye s THR 151 N -0.42 1.78 0.48 3.43 -4.23 0.68 -3.15 115.64 114.21 3hye s THR 151 Ca 0.06 -1.32 0.02 0.00 -1.18 0.00 0.00 61.69 59.28 3hye s THR 151 Cb -0.07 -1.56 -0.03 0.00 1.34 0.00 0.00 72.50 72.19 3hye s THR 151 CO -0.01 0.18 0.02 1.51 -0.54 0.00 0.00 174.62 175.78 3hye s ASP 152 N -1.37 3.91 0.00 3.99 1.47 -0.99 -0.68 116.67 123.00 3hye s ASP 152 Ca 0.08 -1.60 0.04 0.00 1.18 0.00 0.00 52.55 52.25 3hye s ASP 152 Cb -0.09 0.35 0.19 0.00 -0.34 0.00 0.00 42.92 43.02 3hye s ASP 152 CO 0.02 -0.79 1.04 -2.65 0.68 0.00 0.00 175.17 173.47 3hye n PRO 153 N -1.16 0.03 0.00 2.11 -0.02 -1.25 -1.57 135.00 133.13 3hye n PRO 153 Ca -0.15 0.33 0.12 0.00 -2.02 0.00 0.00 63.50 61.78 3hye n PRO 153 Cb 0.67 -1.50 0.24 0.00 -0.02 0.00 0.00 33.50 32.89 3hye n PRO 153 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hye n ALA 154 N -1.39 3.56 -0.58 3.55 0.00 -1.26 -4.82 120.51 119.58 3hye n ALA 154 Ca 0.01 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.07 3hye n ALA 154 Cb 0.04 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.39 3hye n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hye n GLY 155 N 1.47 0.71 3.86 0.00 0.00 -0.61 -4.56 105.19 106.06 3hye n GLY 155 Ca 0.07 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 3hye n GLY 155 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3hye s TYR 156 N -2.00 3.39 0.01 1.61 6.14 -1.26 -4.59 117.35 120.65 3hye s TYR 156 Ca 0.00 1.15 -0.28 0.00 0.64 0.00 0.00 57.07 58.57 3hye s TYR 156 Cb 0.00 -2.48 0.08 0.00 0.42 0.00 0.00 41.96 39.97 3hye s TYR 156 CO 0.00 0.10 0.68 1.52 0.64 0.00 0.00 175.55 178.49 3hye s TYR 157 N -2.00 -0.59 0.16 4.97 1.13 -1.26 -2.35 117.35 117.42 3hye s TYR 157 Ca 0.53 0.79 -0.24 0.00 -1.41 0.00 0.00 57.07 56.73 3hye s TYR 157 Cb -0.10 0.47 0.06 0.00 -1.10 0.00 0.00 41.96 41.28 3hye s TYR 157 CO 0.19 -0.67 0.81 0.54 -2.51 0.00 0.00 175.55 173.92 3hye s VAL 158 N -2.13 0.00 0.28 -3.49 0.11 -1.19 -4.99 120.40 109.00 3hye s VAL 158 Ca -0.06 -0.53 -0.09 0.00 -2.93 0.00 0.00 61.98 58.37 3hye s VAL 158 Cb -0.00 -1.65 -0.07 0.00 -1.53 0.00 0.00 36.38 33.13 3hye s VAL 158 CO 0.01 0.00 0.60 -0.83 -3.33 0.00 0.00 175.10 171.55 3hye s GLY 159 N -2.82 2.10 0.08 6.54 0.00 -1.26 -2.62 107.32 109.33 3hye s GLY 159 Ca 0.09 -0.33 0.04 0.00 0.00 0.00 0.00 44.72 44.52 3hye s GLY 159 CO -0.01 -0.19 -0.12 -0.19 0.00 0.00 0.00 173.10 172.59 3hye s TYR 160 N -1.99 1.09 0.11 1.90 1.51 0.03 -4.99 117.35 115.01 3hye s TYR 160 Ca 0.47 -0.52 0.01 0.00 -1.01 0.00 0.00 57.07 56.03 3hye s TYR 160 Cb -0.11 -0.61 -0.21 0.00 -0.11 0.00 0.00 41.96 40.93 3hye s TYR 160 CO 0.25 0.02 1.24 0.87 -1.11 0.00 0.00 175.55 176.82 3hye h LYS 161 N 4.10 0.16 -1.92 -0.62 1.57 -1.88 -3.37 116.57 114.61 3hye h LYS 161 Ca -0.39 -0.25 0.16 0.00 -1.87 0.00 0.00 60.65 58.30 3hye h LYS 161 Cb 1.19 0.09 -0.18 0.00 0.08 0.00 0.00 32.23 33.42 3hye h LYS 161 CO 0.44 1.09 0.61 0.00 -0.57 0.00 0.00 179.45 181.02 3hye s ALA 162 N -2.78 -1.92 0.23 3.86 0.00 -1.26 -3.61 121.76 116.29 3hye s ALA 162 Ca -0.02 1.29 -0.22 0.00 0.00 0.00 0.00 51.96 53.01 3hye s ALA 162 Cb 0.09 0.08 0.04 0.00 0.00 0.00 0.00 23.12 23.33 3hye s ALA 162 CO 0.85 -0.61 0.68 -0.08 0.00 0.00 0.00 175.76 176.61 3hye s THR 163 N -2.62 0.00 0.04 0.00 -1.32 -0.61 -4.97 115.64 106.15 3hye s THR 163 Ca 0.06 -0.62 -0.06 0.00 -1.21 0.00 0.00 61.69 59.86 3hye s THR 163 Cb -0.01 -1.63 -0.01 0.00 -1.51 0.00 0.00 72.50 69.34 3hye s THR 163 CO -0.06 0.00 0.10 0.00 -2.21 0.00 0.00 174.62 172.45 3hye s ALA 164 N -3.84 -0.09 -0.09 11.08 0.00 -1.26 -0.35 121.76 127.22 3hye s ALA 164 Ca 0.07 -0.52 -0.12 0.00 0.00 0.00 0.00 51.96 51.39 3hye s ALA 164 Cb -0.04 0.24 0.03 0.00 0.00 0.00 0.00 23.12 23.35 3hye s ALA 164 CO -0.00 -0.31 0.31 0.99 0.00 0.00 0.00 175.76 176.74 3hye s THR 165 N -2.54 0.02 -2.48 0.00 2.01 0.06 -4.90 115.64 107.80 3hye s THR 165 Ca -0.05 -0.14 0.00 0.00 0.31 0.00 0.00 61.69 61.80 3hye s THR 165 Cb -0.02 -0.49 0.00 0.00 0.01 0.00 0.00 72.50 72.01 3hye s THR 165 CO -0.04 -0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.42 3hye n GLY 166 N 2.45 0.72 0.23 4.40 0.00 -1.26 -1.15 105.19 110.57 3hye n GLY 166 Ca -0.15 -2.12 0.01 0.00 0.00 0.00 0.00 46.02 43.75 3hye n GLY 166 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hye h PRO 167 N 8.18 0.30 -0.95 1.61 0.11 -1.89 -2.20 132.00 137.17 3hye h PRO 167 Ca 0.00 -0.02 -0.55 0.00 0.11 0.00 0.00 66.00 65.54 3hye h PRO 167 Cb 0.00 -0.07 -0.29 0.00 0.11 0.00 0.00 31.00 30.75 3hye h PRO 167 CO 0.00 0.20 0.65 1.63 -0.21 0.00 0.00 178.00 180.27 3hye n LYS 168 N -5.08 2.39 -0.10 1.05 5.02 -1.26 -4.63 118.16 115.55 3hye n LYS 168 Ca 0.09 -3.14 -0.06 0.00 -2.02 0.00 0.00 58.31 53.19 3hye n LYS 168 Cb 0.31 -2.19 0.01 0.00 -0.02 0.00 0.00 35.03 33.14 3hye n LYS 168 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 3hye h GLN 169 N 1.35 0.03 -0.66 1.97 -0.00 -1.68 -2.88 115.11 113.23 3hye h GLN 169 Ca 0.60 -0.00 0.08 0.00 -0.00 0.00 0.00 58.65 59.32 3hye h GLN 169 Cb 2.10 -0.01 -0.06 0.00 0.00 0.00 0.00 27.48 29.51 3hye h GLN 169 CO 1.21 0.02 0.33 0.37 0.00 0.00 0.00 178.83 180.76 3hye h GLN 170 N 0.03 0.56 -0.70 1.69 5.75 -1.84 0.02 115.11 120.62 3hye h GLN 170 Ca 0.17 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.60 3hye h GLN 170 Cb 0.26 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.65 3hye h GLN 170 CO -0.34 0.37 0.30 0.93 -2.65 0.00 0.00 178.83 177.45 3hye h GLU 171 N 0.58 1.04 -0.34 1.69 3.07 -1.87 -1.15 114.58 117.60 3hye h GLU 171 Ca 0.32 -0.17 -0.06 0.00 -0.50 0.00 0.00 59.36 58.94 3hye h GLU 171 Cb 0.30 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 3hye h GLU 171 CO -0.24 0.84 -0.04 0.82 -1.40 0.00 0.00 179.01 178.99 3hye h ILE 172 N 0.99 1.27 -0.07 3.13 2.04 -1.28 -2.16 117.51 121.44 3hye h ILE 172 Ca 0.24 -1.05 0.02 0.00 1.00 0.00 0.00 64.86 65.07 3hye h ILE 172 Cb 0.17 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 3hye h ILE 172 CO -0.02 0.34 -0.08 0.74 0.00 0.00 0.00 178.15 179.13 3hye h THR 173 N 0.41 0.78 -0.53 -0.27 2.02 -0.71 -0.18 112.91 114.43 3hye h THR 173 Ca 0.09 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.21 3hye h THR 173 Cb 0.51 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 3hye h THR 173 CO 0.02 0.00 0.08 0.71 0.37 0.00 0.00 175.52 176.71 3hye h THR 174 N -0.10 1.24 0.37 3.16 1.35 -1.23 0.22 112.91 117.92 3hye h THR 174 Ca 0.05 -0.90 -0.01 0.00 -0.55 0.00 0.00 66.41 65.00 3hye h THR 174 Cb 0.18 0.74 -0.01 0.00 -1.73 0.00 0.00 68.15 67.33 3hye h THR 174 CO -0.13 0.33 -0.28 -1.13 -0.25 0.00 0.00 175.52 174.07 3hye h ASN 175 N 0.80 -0.72 -0.81 5.36 -0.73 -0.93 -0.57 115.58 117.98 3hye h ASN 175 Ca 0.17 0.05 0.02 0.00 1.87 0.00 0.00 56.30 58.42 3hye h ASN 175 Cb 0.36 0.23 -0.05 0.00 0.27 0.00 0.00 38.32 39.14 3hye h ASN 175 CO 0.01 -0.42 0.53 -0.07 -0.37 0.00 0.00 177.43 177.10 3hye h LEU 176 N -0.64 0.89 -0.33 0.34 3.38 -0.71 -2.18 115.31 116.06 3hye h LEU 176 Ca -0.03 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 57.98 3hye h LEU 176 Cb 0.55 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 3hye h LEU 176 CO 0.00 0.62 0.07 -0.33 0.09 0.00 0.00 178.44 178.89 3hye h GLU 177 N 1.04 0.18 -0.52 1.13 5.08 -0.26 -1.81 114.58 119.43 3hye h GLU 177 Ca 0.32 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.69 3hye h GLU 177 Cb -0.03 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 3hye h GLU 177 CO -0.10 0.12 0.31 -0.91 -1.00 0.00 0.00 179.01 177.43 3hye h ASN 178 N 0.19 0.50 -0.63 1.42 -0.26 -0.71 -2.55 115.58 113.54 3hye h ASN 178 Ca 0.16 0.00 0.05 0.00 -0.56 0.00 0.00 56.30 55.95 3hye h ASN 178 Cb 0.17 -0.10 -0.05 0.00 -1.06 0.00 0.00 38.32 37.28 3hye h ASN 178 CO -0.20 0.36 0.36 -0.74 -1.06 0.00 0.00 177.43 176.14 3hye h HIS 179 N 0.62 0.66 0.00 1.19 2.76 -0.81 -2.18 115.15 117.38 3hye h HIS 179 Ca 0.21 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.39 3hye h HIS 179 Cb 0.02 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 28.77 3hye h HIS 179 CO -0.06 0.33 -0.01 1.19 -1.30 0.00 0.00 177.93 178.08 3hye n PHE 17 N -4.79 0.00 0.00 5.26 3.72 -0.74 -0.67 117.46 120.25 3hye n PHE 17 Ca 0.07 -0.71 0.00 0.00 -0.05 0.00 0.00 57.45 56.76 3hye n PHE 17 Cb 0.15 -0.48 0.00 0.00 -0.94 0.00 0.00 39.48 38.21 3hye n PHE 17 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3hye n LYS 17 N 1.73 0.00 0.28 -1.08 4.81 -0.82 -1.26 118.16 121.82 3hye n LYS 17 Ca 0.02 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.59 3hye n LYS 17 Cb 0.36 0.00 0.82 0.00 0.02 0.00 0.00 35.03 36.23 3hye n LYS 17 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3hye h SER 17 N 0.00 0.00 0.00 3.14 4.64 -1.17 -3.46 113.55 116.71 3hye h SER 17 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hye h SER 17 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hye h SER 17 CO 0.00 0.05 0.00 0.29 -0.87 0.00 0.00 176.83 176.30 3hye n LYS 17 N -3.84 -0.65 -4.52 4.77 5.02 -0.39 -4.96 118.16 113.59 3hye n LYS 17 Ca -0.03 0.16 -0.25 0.00 -2.02 0.00 0.00 58.31 56.17 3hye n LYS 17 Cb 0.14 -4.09 -0.10 0.00 -0.02 0.00 0.00 35.03 30.96 3hye n LYS 17 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3hye s ILE 18 N -1.67 2.32 -0.48 -0.18 -4.36 -1.26 -5.07 121.20 110.51 3hye s ILE 18 Ca 0.00 -2.24 0.03 0.00 -0.26 0.00 0.00 60.65 58.18 3hye s ILE 18 Cb 0.00 -2.58 0.61 0.00 1.25 0.00 0.00 42.46 41.75 3hye s ILE 18 CO 0.00 -0.25 1.91 -0.90 0.24 0.00 0.00 174.94 175.94 3hye n ASP 18 N -0.76 4.50 -3.64 4.36 5.75 -1.26 -4.84 116.55 120.66 3hye n ASP 18 Ca -0.05 -3.66 -0.03 0.00 -0.01 0.00 0.00 54.79 51.04 3hye n ASP 18 Cb 0.63 -0.85 -0.01 0.00 -1.03 0.00 0.00 41.12 39.86 3hye n ASP 18 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 3hye s HIS 18 N -3.41 -0.07 -0.49 2.11 -3.43 -1.26 -4.83 115.29 103.90 3hye s HIS 18 Ca 0.58 -0.25 -0.22 0.00 -0.80 0.00 0.00 55.06 54.36 3hye s HIS 18 Cb 0.48 0.66 0.04 0.00 -1.43 0.00 0.00 32.58 32.32 3hye s HIS 18 CO 0.08 -0.85 0.79 0.42 -2.00 0.00 0.00 174.74 173.18 3hye s ILE 18 N -2.99 4.63 -0.32 -5.38 1.09 0.54 -5.01 121.20 113.76 3hye s ILE 18 Ca 0.14 0.15 -0.28 0.00 -1.10 0.00 0.00 60.65 59.56 3hye s ILE 18 Cb -0.01 -4.38 -0.02 0.00 -1.06 0.00 0.00 42.46 36.99 3hye s ILE 18 CO 0.03 -0.86 1.79 0.21 -0.10 0.00 0.00 174.94 176.01 3hye s ASN 184 N 2.47 5.93 0.00 3.58 3.04 -1.26 -3.15 114.94 125.54 3hye s ASN 184 Ca 0.26 1.32 0.00 0.00 0.04 0.00 0.00 52.86 54.48 3hye s ASN 184 Cb -0.14 -2.53 0.00 0.00 -1.54 0.00 0.00 41.25 37.04 3hye s ASN 184 CO 0.19 -1.68 0.00 -0.62 -3.04 0.00 0.00 177.10 171.95 3hye n GLU 18 N 8.39 2.27 -4.18 0.43 4.71 -1.26 -5.00 120.64 126.00 3hye n GLU 18 Ca 0.23 0.00 -0.35 0.00 -0.01 0.00 0.00 57.16 57.02 3hye n GLU 18 Cb 0.47 -0.71 -0.09 0.00 -1.01 0.00 0.00 31.44 30.10 3hye n GLU 18 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 3hye s SER 18 N -1.52 5.60 0.41 1.62 1.04 -1.26 -4.87 113.70 114.72 3hye s SER 18 Ca 0.00 0.22 0.15 0.00 0.48 0.00 0.00 55.95 56.80 3hye s SER 18 Cb 0.00 -1.72 0.89 0.00 0.10 0.00 0.00 66.02 65.29 3hye s SER 18 CO 0.00 0.35 1.90 4.11 0.98 0.00 0.00 173.24 180.58 3hye h TRP 186 N 5.37 0.00 -0.51 5.02 5.08 -1.99 -2.69 115.95 126.23 3hye h TRP 186 Ca -0.49 0.00 0.09 0.00 1.08 0.00 0.00 58.89 59.57 3hye h TRP 186 Cb 1.20 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 27.29 3hye h TRP 186 CO 0.65 0.29 0.10 0.93 -1.28 0.00 0.00 178.44 179.13 3hye h GLU 187 N 0.00 0.23 -0.15 0.12 3.07 -1.99 0.48 114.58 116.34 3hye h GLU 187 Ca -0.00 -0.01 -0.12 0.00 -0.50 0.00 0.00 59.36 58.72 3hye h GLU 187 Cb 0.53 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.38 3hye h GLU 187 CO 0.04 0.15 -0.43 0.87 -1.40 0.00 0.00 179.01 178.24 3hye h LYS 188 N 0.24 0.34 -0.53 2.33 1.79 -1.91 -1.14 116.57 117.69 3hye h LYS 188 Ca 0.26 -0.17 -0.12 0.00 -2.18 0.00 0.00 60.65 58.44 3hye h LYS 188 Cb 0.36 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.99 3hye h LYS 188 CO -0.34 0.71 -0.12 0.28 -1.08 0.00 0.00 179.45 178.90 3hye h VAL 189 N 0.28 1.27 -0.77 0.50 2.07 -0.88 0.13 116.25 118.86 3hye h VAL 189 Ca 0.02 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.26 3hye h VAL 189 Cb 0.87 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 3hye h VAL 189 CO 0.07 0.45 0.46 0.58 0.02 0.00 0.00 177.57 179.15 3hye h VAL 190 N 0.90 1.22 -0.57 2.57 2.07 0.13 -0.22 116.25 122.34 3hye h VAL 190 Ca 0.14 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 3hye h VAL 190 Cb 0.69 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3hye h VAL 190 CO 0.05 0.23 0.22 -0.33 0.02 0.00 0.00 177.57 177.76 3hye h GLU 191 N 1.05 0.86 -0.02 1.57 5.08 -0.67 -0.41 114.58 122.04 3hye h GLU 191 Ca 0.28 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 3hye h GLU 191 Cb -0.03 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 3hye h GLU 191 CO -0.05 0.75 -0.05 0.35 -1.00 0.00 0.00 179.01 179.00 3hye h PHE 192 N 0.78 -0.13 -0.31 4.33 3.04 -0.28 0.71 116.94 125.10 3hye h PHE 192 Ca 0.19 0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.21 3hye h PHE 192 Cb 0.22 0.06 -0.08 0.00 2.56 0.00 0.00 35.95 38.71 3hye h PHE 192 CO 0.01 -0.08 -0.28 0.00 -2.02 0.00 0.00 178.31 175.93 3hye h ALA 193 N 0.93 -0.16 -0.57 2.41 0.00 -0.60 -1.20 119.26 120.06 3hye h ALA 193 Ca 0.03 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3hye h ALA 193 Cb 0.12 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3hye h ALA 193 CO -0.07 -0.70 0.17 0.82 0.00 0.00 0.00 179.25 179.47 3hye h ILE 194 N -0.26 1.24 0.14 0.00 2.04 -0.79 -1.74 117.51 118.14 3hye h ILE 194 Ca 0.15 -0.82 0.02 0.00 1.00 0.00 0.00 64.86 65.21 3hye h ILE 194 Cb 0.51 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 3hye h ILE 194 CO -0.45 0.31 -0.33 0.74 0.00 0.00 0.00 178.15 178.41 3hye h THR 195 N 0.81 0.29 0.00 -0.27 2.02 -0.22 -0.33 112.91 115.21 3hye h THR 195 Ca 0.18 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.34 3hye h THR 195 Cb 0.29 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 3hye h THR 195 CO -0.00 0.00 -0.12 0.45 0.37 0.00 0.00 175.52 176.22 3hye h HIS 196 N -0.57 0.00 -0.05 3.16 3.86 -1.20 -0.53 115.15 119.82 3hye h HIS 196 Ca 0.03 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 3hye h HIS 196 Cb 0.60 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.06 3hye h HIS 196 CO -0.29 0.12 0.01 1.98 0.86 0.00 0.00 177.93 180.61 3hye h MET 197 N 0.00 0.08 0.10 2.45 -1.53 -0.36 -1.57 114.93 114.10 3hye h MET 197 Ca -0.00 -0.02 -0.00 0.00 -3.44 0.00 0.00 59.70 56.23 3hye h MET 197 Cb 0.36 -0.01 0.00 0.00 -0.55 0.00 0.00 31.60 31.41 3hye h MET 197 CO 0.02 0.30 -0.05 0.82 0.14 0.00 0.00 176.91 178.14 3hye h ILE 198 N -0.15 0.96 -0.00 1.77 2.04 -0.21 -0.75 117.51 121.17 3hye h ILE 198 Ca 0.02 -0.18 0.03 0.00 1.00 0.00 0.00 64.86 65.73 3hye h ILE 198 Cb 0.25 1.08 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 3hye h ILE 198 CO 0.00 0.05 -0.29 0.44 0.00 0.00 0.00 178.15 178.34 3hye h ASP 199 N -0.21 -0.87 -0.82 1.72 3.45 -1.11 0.56 116.42 119.14 3hye h ASP 199 Ca -0.01 0.12 -0.03 0.00 0.43 0.00 0.00 57.03 57.53 3hye h ASP 199 Cb 0.17 0.35 -0.04 0.00 -0.56 0.00 0.00 39.33 39.26 3hye h ASP 199 CO 0.02 -0.36 0.40 0.00 -1.57 0.00 0.00 179.24 177.74 3hye h ALA 200 N 0.33 1.15 -0.00 3.45 0.00 -1.24 -2.83 119.26 120.11 3hye h ALA 200 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3hye h ALA 200 Cb 0.53 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3hye h ALA 200 CO -0.25 0.65 -0.38 1.28 0.00 0.00 0.00 179.25 180.55 3hye n LEU 201 N -4.31 0.86 -3.42 0.00 4.77 -0.29 -4.77 117.00 109.83 3hye n LEU 201 Ca 0.08 -0.19 -0.25 0.00 -0.03 0.00 0.00 56.01 55.63 3hye n LEU 201 Cb 0.14 -0.16 0.04 0.00 -2.33 0.00 0.00 43.42 41.10 3hye n LEU 201 CO 0.40 0.17 0.08 0.61 -1.33 0.00 0.00 177.39 177.32 3hye n GLY 202 N 1.41 -0.52 3.10 -0.72 0.00 0.19 -4.98 105.19 103.67 3hye n GLY 202 Ca 0.09 0.17 -0.13 0.00 0.00 0.00 0.00 46.02 46.16 3hye n GLY 202 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hye s THR 203 N -3.21 0.61 0.19 2.61 2.01 -1.07 -5.05 115.64 111.74 3hye s THR 203 Ca 0.47 -1.30 -0.03 0.00 0.31 0.00 0.00 61.69 61.15 3hye s THR 203 Cb -0.22 -0.90 -0.05 0.00 0.01 0.00 0.00 72.50 71.34 3hye s THR 203 CO 0.59 -0.49 0.41 -0.70 -0.69 0.00 0.00 174.62 173.73 3hye s GLU 204 N -2.13 3.57 0.01 4.92 2.56 -1.26 -4.48 118.70 121.89 3hye s GLU 204 Ca -0.04 -0.20 0.05 0.00 0.00 0.00 0.00 54.97 54.78 3hye s GLU 204 Cb -0.06 -2.82 -0.02 0.00 2.00 0.00 0.00 34.13 33.23 3hye s GLU 204 CO -0.01 0.40 -0.15 -0.06 -0.56 0.00 0.00 175.26 174.88 3hye s PHE 205 N -1.82 1.32 0.45 5.30 0.40 -1.26 -5.09 117.98 117.28 3hye s PHE 205 Ca 0.40 -0.30 0.03 0.00 -0.60 0.00 0.00 56.93 56.47 3hye s PHE 205 Cb -0.11 -0.82 0.08 0.00 0.51 0.00 0.00 43.02 42.68 3hye s PHE 205 CO 0.28 0.01 0.62 -1.13 0.70 0.00 0.00 175.22 175.70 3hye n SER 206 N 2.34 1.21 0.19 1.36 3.41 -1.26 -4.97 113.62 115.90 3hye n SER 206 Ca -0.16 -1.94 0.14 0.00 -0.26 0.00 0.00 58.87 56.66 3hye n SER 206 Cb 0.55 -0.37 0.53 0.00 -0.26 0.00 0.00 64.21 64.66 3hye n SER 206 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 3hye h LYS 207 N 0.00 0.00 -0.56 4.33 2.10 -1.94 -2.99 116.57 117.52 3hye h LYS 207 Ca -0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.44 3hye h LYS 207 Cb 0.86 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.19 3hye h LYS 207 CO 0.26 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.80 3hye n ASN 208 N -2.62 3.64 -0.00 7.07 3.02 -1.26 -4.21 115.26 120.90 3hye n ASN 208 Ca 0.02 -2.08 0.10 0.00 -0.03 0.00 0.00 54.58 52.58 3hye n ASN 208 Cb 0.30 -0.40 -0.12 0.00 -0.61 0.00 0.00 39.78 38.95 3hye n ASN 208 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3hye n ASP 209 N 1.07 0.93 -4.73 6.41 10.43 -1.13 -4.72 116.55 124.81 3hye n ASP 209 Ca 0.19 -0.93 -0.30 0.00 2.57 0.00 0.00 54.79 56.33 3hye n ASP 209 Cb 0.58 1.06 -0.08 0.00 1.84 0.00 0.00 41.12 44.53 3hye n ASP 209 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3hye s LEU 210 N -3.07 2.59 -0.21 0.64 1.43 -1.26 0.10 118.68 118.90 3hye s LEU 210 Ca 0.07 -1.47 -0.11 0.00 -1.03 0.00 0.00 54.13 51.59 3hye s LEU 210 Cb 0.16 -0.90 0.07 0.00 0.03 0.00 0.00 46.19 45.55 3hye s LEU 210 CO 0.85 -0.72 0.51 -0.70 0.23 0.00 0.00 176.35 176.52 3hye s GLU 211 N -3.87 0.49 0.04 1.70 2.12 -0.31 -4.48 118.70 114.39 3hye s GLU 211 Ca 0.21 0.99 0.05 0.00 0.36 0.00 0.00 54.97 56.58 3hye s GLU 211 Cb 0.04 0.12 -0.02 0.00 0.26 0.00 0.00 34.13 34.53 3hye s GLU 211 CO 0.11 -0.17 -0.16 0.08 -0.54 0.00 0.00 175.26 174.58 3hye s VAL 212 N 1.72 1.25 -0.01 3.70 1.01 -1.26 -1.71 120.40 125.10 3hye s VAL 212 Ca -0.08 -1.08 0.02 0.00 0.00 0.00 0.00 61.98 60.84 3hye s VAL 212 Cb -0.08 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.17 3hye s VAL 212 CO -0.15 0.03 -0.08 -0.83 0.00 0.00 0.00 175.10 174.07 3hye s GLY 213 N -1.21 0.39 -0.02 4.51 0.00 -0.60 -1.34 107.32 109.05 3hye s GLY 213 Ca 0.03 -0.34 0.03 0.00 0.00 0.00 0.00 44.72 44.44 3hye s GLY 213 CO 0.02 -0.28 -0.11 0.14 0.00 0.00 0.00 173.10 172.86 3hye s VAL 214 N -0.18 0.94 -0.12 1.40 1.01 0.20 -1.57 120.40 122.08 3hye s VAL 214 Ca 0.03 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.55 3hye s VAL 214 Cb -0.03 -0.81 -0.01 0.00 0.00 0.00 0.00 36.38 35.53 3hye s VAL 214 CO -0.00 0.28 -0.17 0.00 0.00 0.00 0.00 175.10 175.20 3hye s ALA 215 N -0.03 2.45 0.32 5.51 0.00 0.57 -0.38 121.76 130.20 3hye s ALA 215 Ca 0.00 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 51.07 3hye s ALA 215 Cb -0.07 -1.07 -0.03 0.00 0.00 0.00 0.00 23.12 21.94 3hye s ALA 215 CO 0.00 0.24 0.17 0.95 0.00 0.00 0.00 175.76 177.12 3hye s THR 216 N 0.39 0.34 -0.14 0.00 -4.23 0.22 -0.75 115.64 111.47 3hye s THR 216 Ca -0.13 -2.00 -0.37 0.00 -1.18 0.00 0.00 61.69 58.01 3hye s THR 216 Cb -0.17 -2.49 -0.14 0.00 1.34 0.00 0.00 72.50 71.05 3hye s THR 216 CO 0.06 0.00 1.77 1.17 -0.54 0.00 0.00 174.62 177.08 3hye n LYS 217 N -0.64 1.68 -1.19 3.99 3.00 -1.26 -1.33 118.16 122.41 3hye n LYS 217 Ca 0.01 0.62 -0.07 0.00 -0.00 0.00 0.00 58.31 58.87 3hye n LYS 217 Cb 0.65 -2.37 -0.03 0.00 0.00 0.00 0.00 35.03 33.27 3hye n LYS 217 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3hye n ASP 218 N 5.61 -5.31 -3.59 3.14 8.00 -1.26 -4.96 116.55 118.18 3hye n ASP 218 Ca 0.24 0.16 -0.13 0.00 0.71 0.00 0.00 54.79 55.77 3hye n ASP 218 Cb 0.22 -3.38 -0.06 0.00 -0.02 0.00 0.00 41.12 37.88 3hye n ASP 218 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3hye s LYS 220 N -2.32 0.73 -0.04 -1.24 2.20 -0.44 -4.70 119.74 113.91 3hye s LYS 220 Ca 0.00 0.44 0.02 0.00 -0.36 0.00 0.00 55.97 56.07 3hye s LYS 220 Cb 0.00 0.35 0.01 0.00 -1.51 0.00 0.00 37.83 36.68 3hye s LYS 220 CO 0.00 -0.17 -0.08 0.12 -0.36 0.00 0.00 175.35 174.86 3hye s PHE 221 N -0.51 0.99 0.10 4.03 2.19 -0.66 0.70 117.98 124.83 3hye s PHE 221 Ca -0.02 -0.30 -0.08 0.00 0.33 0.00 0.00 56.93 56.85 3hye s PHE 221 Cb -0.02 -0.77 -0.00 0.00 -1.31 0.00 0.00 43.02 40.91 3hye s PHE 221 CO 0.01 -0.18 0.20 -0.59 1.83 0.00 0.00 175.22 176.49 3hye s PHE 222 N 0.62 0.22 0.05 10.12 -0.12 0.49 -4.91 117.98 124.44 3hye s PHE 222 Ca -0.10 -0.64 0.03 0.00 -0.05 0.00 0.00 56.93 56.17 3hye s PHE 222 Cb -0.13 -0.08 -0.04 0.00 -0.63 0.00 0.00 43.02 42.15 3hye s PHE 222 CO 0.01 -0.57 0.00 0.95 -0.05 0.00 0.00 175.22 175.56 3hye s THR 223 N -3.89 4.09 0.58 -4.49 -4.23 -1.26 0.60 115.64 107.04 3hye s THR 223 Ca 0.08 -0.81 -0.09 0.00 -1.18 0.00 0.00 61.69 59.69 3hye s THR 223 Cb 0.05 -2.89 -0.03 0.00 1.34 0.00 0.00 72.50 70.96 3hye s THR 223 CO -0.09 0.24 0.94 -0.76 -0.54 0.00 0.00 174.62 174.41 3hye s LEU 224 N -1.97 3.34 0.43 4.79 1.43 -0.45 -4.97 118.68 121.29 3hye s LEU 224 Ca 0.23 1.18 0.04 0.00 -1.03 0.00 0.00 54.13 54.56 3hye s LEU 224 Cb -0.12 -4.16 0.01 0.00 0.03 0.00 0.00 46.19 41.95 3hye s LEU 224 CO 0.15 -0.82 0.61 -0.94 0.23 0.00 0.00 176.35 175.58 3hye s SER 225 N -4.18 5.69 0.26 2.29 1.04 -1.26 -4.68 113.70 112.86 3hye s SER 225 Ca 0.53 -0.11 -0.01 0.00 0.48 0.00 0.00 55.95 56.83 3hye s SER 225 Cb -0.11 -1.05 0.53 0.00 0.10 0.00 0.00 66.02 65.50 3hye s SER 225 CO 0.50 -0.75 1.75 0.00 0.98 0.00 0.00 173.24 175.72 3hye h ALA 226 N 0.52 1.25 -0.33 5.32 0.00 -1.97 0.16 119.26 124.22 3hye h ALA 226 Ca -0.43 0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.42 3hye h ALA 226 Cb 1.27 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3hye h ALA 226 CO 0.51 -0.14 -0.40 0.93 0.00 0.00 0.00 179.25 180.16 3hye h GLU 227 N 0.57 0.79 -0.32 0.00 4.39 -1.93 0.73 114.58 118.80 3hye h GLU 227 Ca 0.46 -0.42 -0.04 0.00 0.34 0.00 0.00 59.36 59.71 3hye h GLU 227 Cb 0.68 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 3hye h GLU 227 CO -0.38 1.05 0.04 -0.91 -1.16 0.00 0.00 179.01 177.64 3hye h ASN 228 N 0.65 0.44 -0.02 1.42 -0.26 -1.57 -2.11 115.58 114.14 3hye h ASN 228 Ca 0.05 -0.07 -0.01 0.00 -0.56 0.00 0.00 56.30 55.72 3hye h ASN 228 Cb 0.96 -0.11 -0.00 0.00 -1.06 0.00 0.00 38.32 38.11 3hye h ASN 228 CO 0.09 0.48 -0.02 0.40 -1.06 0.00 0.00 177.43 177.32 3hye h ILE 229 N 0.47 1.42 -0.76 2.81 2.04 -0.66 -2.94 117.51 119.89 3hye h ILE 229 Ca 0.11 -1.27 0.15 0.00 1.00 0.00 0.00 64.86 64.85 3hye h ILE 229 Cb 0.25 2.25 -0.10 0.00 -0.74 0.00 0.00 36.82 38.47 3hye h ILE 229 CO 0.00 0.34 0.28 -0.08 0.00 0.00 0.00 178.15 178.69 3hye h GLU 230 N -0.48 0.39 -0.19 2.37 4.57 -0.58 0.79 114.58 121.46 3hye h GLU 230 Ca 0.00 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.17 3hye h GLU 230 Cb 0.56 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 3hye h GLU 230 CO 0.01 0.26 0.13 1.49 -1.18 0.00 0.00 179.01 179.71 3hye h GLU 231 N 0.40 0.19 -0.07 1.92 4.81 -1.37 0.26 114.58 120.70 3hye h GLU 231 Ca 0.43 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.57 3hye h GLU 231 Cb 0.69 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.03 3hye h GLU 231 CO -0.44 0.12 -0.26 -0.09 -0.73 0.00 0.00 179.01 177.61 3hye h ARG 232 N 0.19 0.31 -0.74 1.92 9.65 0.65 -2.90 114.38 123.46 3hye h ARG 232 Ca 0.07 -0.23 -0.03 0.00 -1.10 0.00 0.00 59.98 58.70 3hye h ARG 232 Cb 0.07 0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.65 3hye h ARG 232 CO -0.01 0.86 0.36 -0.07 2.80 0.00 0.00 179.97 183.90 3hye h LEU 233 N -0.19 0.95 -0.33 3.80 4.07 0.01 -2.61 115.31 121.01 3hye h LEU 233 Ca -0.01 -0.10 -0.02 0.00 0.08 0.00 0.00 57.88 57.83 3hye h LEU 233 Cb 0.89 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.37 3hye h LEU 233 CO 0.05 0.79 0.13 0.58 -1.08 0.00 0.00 178.44 178.92 3hye h VAL 234 N 1.04 1.18 -0.22 1.22 2.07 -1.02 -2.18 116.25 118.35 3hye h VAL 234 Ca 0.26 -0.57 0.02 0.00 0.82 0.00 0.00 66.70 67.23 3hye h VAL 234 Cb 0.10 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3hye h VAL 234 CO -0.03 0.20 0.08 0.00 0.02 0.00 0.00 177.57 177.84 3hye h ALA 235 N 0.97 0.25 0.00 1.67 0.00 -1.28 -2.11 119.26 118.76 3hye h ALA 235 Ca 0.11 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3hye h ALA 235 Cb 0.19 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3hye h ALA 235 CO -0.01 -0.34 -0.17 -0.84 0.00 0.00 0.00 179.25 177.90 3hye h ILE 236 N 0.19 0.79 -0.34 0.00 3.07 -1.40 -2.39 117.51 117.43 3hye h ILE 236 Ca 0.09 -0.67 -0.11 0.00 1.55 0.00 0.00 64.86 65.73 3hye h ILE 236 Cb 0.06 1.40 -0.01 0.00 -0.27 0.00 0.00 36.82 37.99 3hye h ILE 236 CO -0.09 0.17 -0.24 0.00 -1.05 0.00 0.00 178.15 176.94 3hye h ALA 237 N 1.83 0.95 -0.18 0.16 0.00 -0.73 -3.06 119.26 118.23 3hye h ALA 237 Ca -0.00 -0.36 -0.17 0.00 0.00 0.00 0.00 54.91 54.38 3hye h ALA 237 Cb 0.39 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 3hye h ALA 237 CO 0.02 0.61 0.09 0.39 0.00 0.00 0.00 179.25 180.36 3hye n GLU 238 N -4.11 1.51 0.00 0.00 1.02 -0.90 -2.79 120.64 115.36 3hye n GLU 238 Ca -0.00 -0.81 0.00 0.00 -0.02 0.00 0.00 57.16 56.33 3hye n GLU 238 Cb 0.43 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 3hye n GLU 238 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 3hye n GLN 239 N 1.27 2.16 0.00 3.49 7.27 -1.16 -5.05 117.38 125.36 3hye n GLN 239 Ca 0.19 0.00 0.07 0.00 0.07 0.00 0.00 57.00 57.34 3hye n GLN 239 Cb 0.59 -0.32 0.06 0.00 2.41 0.00 0.00 30.24 32.98 3hye n GLN 239 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88