#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hye s TYR 8 N 0.00 2.16 -0.06 1.61 5.04 -1.26 -4.86 117.35 119.99 3hye s TYR 8 Ca 0.00 0.49 0.24 0.00 -2.44 0.00 0.00 57.07 55.37 3hye s TYR 8 Cb 0.00 -3.89 0.44 0.00 0.35 0.00 0.00 41.96 38.86 3hye s TYR 8 CO 0.00 -3.07 1.16 -0.40 -1.34 0.00 0.00 175.55 171.90 3hye n ASP 9 N 7.77 1.18 -4.77 4.32 5.75 -1.26 -4.02 116.55 125.52 3hye n ASP 9 Ca 0.18 -2.14 -0.41 0.00 -0.01 0.00 0.00 54.79 52.41 3hye n ASP 9 Cb 0.44 -0.34 -0.01 0.00 -1.03 0.00 0.00 41.12 40.18 3hye n ASP 9 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 3hye s ARG 10 N -0.82 4.21 -0.70 0.11 3.00 -1.26 -3.59 118.95 119.90 3hye s ARG 10 Ca 0.33 2.42 -0.27 0.00 -1.00 0.00 0.00 55.73 57.22 3hye s ARG 10 Cb 0.38 -3.03 0.02 0.00 0.00 0.00 0.00 34.95 32.32 3hye s ARG 10 CO -0.14 -0.43 1.40 0.00 0.00 0.00 0.00 175.30 176.13 3hye s ALA 11 N -0.78 2.65 -0.03 6.12 0.00 -1.26 0.25 121.76 128.71 3hye s ALA 11 Ca 0.54 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 51.35 3hye s ALA 11 Cb -0.44 -4.25 -0.26 0.00 0.00 0.00 0.00 23.12 18.17 3hye s ALA 11 CO 0.55 -3.36 0.72 -0.07 0.00 0.00 0.00 175.76 173.59 3hye h LEU 12 N 13.67 0.26 -8.15 0.00 3.38 -1.84 -3.42 115.31 119.20 3hye h LEU 12 Ca -0.27 -0.44 -0.75 0.00 0.09 0.00 0.00 57.88 56.50 3hye h LEU 12 Cb 1.08 -0.08 -0.23 0.00 0.09 0.00 0.00 40.66 41.51 3hye h LEU 12 CO 1.26 1.38 -0.22 -0.44 0.09 0.00 0.00 178.44 180.51 3hye s SER 13 N -6.72 6.18 0.32 -0.43 0.01 -1.26 -4.69 113.70 107.11 3hye s SER 13 Ca -0.10 -1.64 0.03 0.00 1.31 0.00 0.00 55.95 55.55 3hye s SER 13 Cb 0.07 -2.21 -0.05 0.00 0.21 0.00 0.00 66.02 64.04 3hye s SER 13 CO 0.82 -0.83 0.10 0.27 0.41 0.00 0.00 173.24 174.02 3hye s ILE 14 N 1.70 0.72 0.27 1.44 -4.36 -1.26 -4.82 121.20 114.89 3hye s ILE 14 Ca 0.04 -2.00 -0.20 0.00 -0.26 0.00 0.00 60.65 58.23 3hye s ILE 14 Cb -0.28 -2.61 -0.09 0.00 1.25 0.00 0.00 42.46 40.74 3hye s ILE 14 CO 0.04 0.00 0.77 -0.36 0.24 0.00 0.00 174.94 175.64 3hye s PHE 15 N -3.47 3.58 0.30 1.37 0.08 -1.26 -4.20 117.98 114.38 3hye s PHE 15 Ca 0.34 1.42 0.08 0.00 0.12 0.00 0.00 56.93 58.89 3hye s PHE 15 Cb 0.07 -2.66 -0.03 0.00 -0.57 0.00 0.00 43.02 39.82 3hye s PHE 15 CO 0.15 0.24 0.22 -1.54 -0.10 0.00 0.00 175.22 174.19 3hye s SER 16 N -1.81 5.25 0.35 1.36 1.04 0.89 -4.94 113.70 115.84 3hye s SER 16 Ca 0.48 -0.45 0.15 0.00 0.48 0.00 0.00 55.95 56.61 3hye s SER 16 Cb -0.15 -1.09 1.14 0.00 0.10 0.00 0.00 66.02 66.02 3hye s SER 16 CO 0.20 -0.21 1.62 -0.65 0.98 0.00 0.00 173.24 175.18 3hye h PRO 17 N 1.41 0.16 0.00 4.02 0.11 -1.98 0.26 132.00 135.98 3hye h PRO 17 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3hye h PRO 17 Cb 1.25 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3hye h PRO 17 CO 0.60 0.10 0.00 -0.40 -0.21 0.00 0.00 178.00 178.09 3hye n ASP 18 N -5.18 0.00 0.00 -2.05 5.75 -1.26 -4.87 116.55 108.93 3hye n ASP 18 Ca 0.33 -1.26 0.00 0.00 -0.01 0.00 0.00 54.79 53.85 3hye n ASP 18 Cb 1.06 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.15 3hye n ASP 18 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hye n GLY 19 N 0.83 0.65 3.89 6.12 0.00 0.93 -5.08 105.19 112.53 3hye n GLY 19 Ca 0.17 -0.56 -0.21 0.00 0.00 0.00 0.00 46.02 45.42 3hye n GLY 19 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hye s HIS 20 N -2.00 3.20 -0.51 1.61 3.76 -1.23 -4.81 115.29 115.31 3hye s HIS 20 Ca 0.00 -0.11 0.04 0.00 -0.15 0.00 0.00 55.06 54.84 3hye s HIS 20 Cb 0.00 -1.56 0.13 0.00 1.11 0.00 0.00 32.58 32.26 3hye s HIS 20 CO 0.00 0.40 0.25 0.42 -0.85 0.00 0.00 174.74 174.97 3hye s ILE 21 N -2.11 2.56 0.32 0.60 1.01 -1.26 -0.07 121.20 122.25 3hye s ILE 21 Ca 0.35 -3.28 0.08 0.00 0.00 0.00 0.00 60.65 57.80 3hye s ILE 21 Cb -0.08 -2.78 0.31 0.00 0.01 0.00 0.00 42.46 39.92 3hye s ILE 21 CO 0.27 -0.79 1.78 -0.26 0.00 0.00 0.00 174.94 175.94 3hye h PHE 22 N 6.53 0.99 -0.11 3.97 0.04 -1.95 -1.00 116.94 125.42 3hye h PHE 22 Ca -0.08 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.69 3hye h PHE 22 Cb 0.90 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.74 3hye h PHE 22 CO 0.52 0.20 -0.10 1.96 -0.60 0.00 0.00 178.31 180.29 3hye h GLN 23 N 0.69 0.16 0.05 1.51 1.08 -1.88 0.53 115.11 117.26 3hye h GLN 23 Ca 0.58 -0.03 -0.27 0.00 -1.45 0.00 0.00 58.65 57.48 3hye h GLN 23 Cb 0.99 -0.03 0.02 0.00 -0.05 0.00 0.00 27.48 28.41 3hye h GLN 23 CO -0.36 0.28 -1.11 0.28 -0.95 0.00 0.00 178.83 176.97 3hye h VAL 24 N 0.16 1.32 -0.41 -0.54 2.07 -1.61 -2.16 116.25 115.08 3hye h VAL 24 Ca 0.03 -2.42 -0.02 0.00 0.82 0.00 0.00 66.70 65.11 3hye h VAL 24 Cb 0.29 2.54 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 3hye h VAL 24 CO 0.02 0.74 0.18 -0.08 0.02 0.00 0.00 177.57 178.44 3hye h GLU 25 N 0.29 0.60 0.00 1.57 4.57 -0.43 -2.01 114.58 119.17 3hye h GLU 25 Ca -0.14 -0.10 -0.06 0.00 -1.18 0.00 0.00 59.36 57.88 3hye h GLU 25 Cb 1.77 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 30.24 3hye h GLU 25 CO 0.21 0.55 -0.30 1.88 -1.18 0.00 0.00 179.01 180.16 3hye h TYR 26 N 0.52 0.00 -0.79 0.92 0.05 -0.02 -2.29 116.97 115.35 3hye h TYR 26 Ca 0.14 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.88 3hye h TYR 26 Cb 0.16 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.87 3hye h TYR 26 CO -0.00 0.30 0.35 0.00 -1.05 0.00 0.00 178.16 177.76 3hye h ALA 27 N 1.70 1.03 -0.86 3.88 0.00 -0.69 -2.03 119.26 122.29 3hye h ALA 27 Ca -0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3hye h ALA 27 Cb 0.80 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 3hye h ALA 27 CO 0.04 0.63 0.46 -0.07 0.00 0.00 0.00 179.25 180.31 3hye h LEU 28 N 1.14 1.08 -2.06 0.00 3.38 -0.85 -1.97 115.31 116.03 3hye h LEU 28 Ca 0.27 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 3hye h LEU 28 Cb 0.17 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 3hye h LEU 28 CO -0.03 0.87 -0.00 -0.33 0.09 0.00 0.00 178.44 179.04 3hye h GLU 29 N 1.20 0.00 -0.01 1.13 4.39 -1.15 0.17 114.58 120.31 3hye h GLU 29 Ca 0.30 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.86 3hye h GLU 29 Cb 0.04 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 3hye h GLU 29 CO -0.05 0.00 -0.66 0.00 -1.16 0.00 0.00 179.01 177.14 3hye h ALA 30 N 2.00 0.88 -0.30 3.43 0.00 -0.96 -2.86 119.26 121.45 3hye h ALA 30 Ca -0.00 -0.60 -0.18 0.00 0.00 0.00 0.00 54.91 54.13 3hye h ALA 30 Cb 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3hye h ALA 30 CO 0.00 0.81 -0.53 0.28 0.00 0.00 0.00 179.25 179.82 3hye h VAL 31 N 0.03 1.28 -0.01 0.00 2.07 -0.49 -2.78 116.25 116.35 3hye h VAL 31 Ca -0.01 -1.71 -0.01 0.00 0.82 0.00 0.00 66.70 65.79 3hye h VAL 31 Cb 1.17 1.60 -0.00 0.00 -1.52 0.00 0.00 31.29 32.54 3hye h VAL 31 CO 0.09 0.56 -0.04 0.11 0.02 0.00 0.00 177.57 178.31 3hye h LYS 32 N 0.67 0.02 0.00 1.57 1.57 -1.12 -1.07 116.57 118.20 3hye h LYS 32 Ca 0.02 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3hye h LYS 32 Cb 1.13 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 3hye h LYS 32 CO 0.12 0.06 -0.14 -0.09 -0.57 0.00 0.00 179.45 178.83 3hye h ARG 33 N 0.02 0.00 -7.37 3.15 2.43 -1.31 -1.41 114.38 109.89 3hye h ARG 33 Ca 0.00 0.00 -0.50 0.00 -0.81 0.00 0.00 59.98 58.67 3hye h ARG 33 Cb 0.09 0.00 0.10 0.00 -0.42 0.00 0.00 29.97 29.74 3hye h ARG 33 CO 0.01 0.00 0.37 0.20 -1.51 0.00 0.00 179.97 179.03 3hye s GLY 34 N -3.69 1.65 0.50 2.80 0.00 -0.41 -4.77 107.32 103.40 3hye s GLY 34 Ca 0.09 -0.04 -0.23 0.00 0.00 0.00 0.00 44.72 44.54 3hye s GLY 34 CO 0.63 0.30 1.32 -0.51 0.00 0.00 0.00 173.10 174.84 3hye s THR 35 N -3.11 2.36 0.48 0.90 -4.23 -1.26 -1.47 115.64 109.31 3hye s THR 35 Ca 0.59 0.28 -0.24 0.00 -1.18 0.00 0.00 61.69 61.14 3hye s THR 35 Cb -0.14 -3.15 -0.07 0.00 1.34 0.00 0.00 72.50 70.49 3hye s THR 35 CO 0.54 0.01 1.34 0.00 -0.54 0.00 0.00 174.62 175.97 3hye s ALA 37 N -1.29 0.38 0.02 0.00 0.00 0.35 -1.64 121.76 119.59 3hye s ALA 37 Ca 0.64 -0.25 -0.00 0.00 0.00 0.00 0.00 51.96 52.35 3hye s ALA 37 Cb -0.39 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 3hye s ALA 37 CO 0.49 0.08 -0.02 0.54 0.00 0.00 0.00 175.76 176.84 3hye s VAL 38 N -0.24 0.13 -0.06 0.00 0.11 0.19 -0.36 120.40 120.16 3hye s VAL 38 Ca 0.00 -1.05 -0.04 0.00 -2.93 0.00 0.00 61.98 57.96 3hye s VAL 38 Cb -0.03 -0.48 0.02 0.00 -1.53 0.00 0.00 36.38 34.37 3hye s VAL 38 CO -0.00 -0.58 0.14 -0.83 -3.33 0.00 0.00 175.10 170.50 3hye s GLY 39 N -1.70 -0.07 -0.02 6.54 0.00 0.37 0.20 107.32 112.64 3hye s GLY 39 Ca -0.12 0.52 0.00 0.00 0.00 0.00 0.00 44.72 45.12 3hye s GLY 39 CO -0.02 0.63 -0.00 -1.34 0.00 0.00 0.00 173.10 172.36 3hye s VAL 40 N 0.56 0.12 -0.20 1.40 -7.23 -0.53 -0.70 120.40 113.82 3hye s VAL 40 Ca -0.04 0.05 -0.10 0.00 -1.81 0.00 0.00 61.98 60.08 3hye s VAL 40 Cb -0.06 -0.18 -0.05 0.00 0.56 0.00 0.00 36.38 36.66 3hye s VAL 40 CO -0.03 0.09 0.13 -1.59 -0.31 0.00 0.00 175.10 173.39 3hye s LYS 41 N 0.62 4.17 0.00 4.82 -2.85 -0.26 -0.80 119.74 125.44 3hye s LYS 41 Ca -0.06 -0.23 0.00 0.00 -1.00 0.00 0.00 55.97 54.68 3hye s LYS 41 Cb -0.09 -3.41 0.00 0.00 -2.06 0.00 0.00 37.83 32.27 3hye s LYS 41 CO -0.01 0.29 0.00 0.41 0.10 0.00 0.00 175.35 176.13 3hye n GLY 42 N 3.56 0.13 0.13 0.59 0.00 0.27 -4.56 105.19 105.30 3hye n GLY 42 Ca -0.16 -1.76 0.04 0.00 0.00 0.00 0.00 46.02 44.14 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 0.00 0.00 1.61 3.64 -1.73 -3.38 116.57 116.72 3hye h LYS 43 Ca 0.00 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.24 3hye h LYS 43 Cb 0.00 0.00 -0.29 0.00 -0.41 0.00 0.00 32.23 31.53 3hye h LYS 43 CO 0.00 0.27 -0.83 0.27 -2.27 0.00 0.00 179.45 176.89 3hye n ASN 44 N -2.99 0.55 -3.60 4.20 6.94 -1.26 -4.73 115.26 114.37 3hye n ASN 44 Ca -0.02 -1.97 -0.02 0.00 -0.02 0.00 0.00 54.58 52.55 3hye n ASN 44 Cb 0.71 -0.19 0.00 0.00 -2.36 0.00 0.00 39.78 37.94 3hye n ASN 44 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hye s VAL 46 N -2.60 -0.01 -0.04 0.00 1.01 -0.82 0.97 120.40 118.91 3hye s VAL 46 Ca 0.18 0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.28 3hye s VAL 46 Cb -0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 36.38 36.26 3hye s VAL 46 CO 0.02 0.02 -0.25 -0.69 0.00 0.00 0.00 175.10 174.20 3hye s VAL 47 N 0.31 2.03 -0.16 2.92 1.01 0.02 -1.56 120.40 124.97 3hye s VAL 47 Ca -0.02 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 60.90 3hye s VAL 47 Cb -0.04 -1.70 0.01 0.00 0.00 0.00 0.00 36.38 34.66 3hye s VAL 47 CO -0.01 0.57 -0.19 -0.76 0.00 0.00 0.00 175.10 174.70 3hye s LEU 48 N -0.38 2.22 0.03 3.92 1.43 -0.70 -1.45 118.68 123.76 3hye s LEU 48 Ca 0.03 -0.58 0.09 0.00 -1.03 0.00 0.00 54.13 52.64 3hye s LEU 48 Cb -0.12 -1.49 -0.03 0.00 0.03 0.00 0.00 46.19 44.58 3hye s LEU 48 CO 0.01 0.06 -0.26 -0.83 0.23 0.00 0.00 176.35 175.56 3hye s GLY 49 N 0.97 1.39 0.03 -3.19 0.00 0.13 -1.75 107.32 104.91 3hye s GLY 49 Ca -0.03 -1.24 0.01 0.00 0.00 0.00 0.00 44.72 43.47 3hye s GLY 49 CO -0.05 -1.11 -0.05 0.00 0.00 0.00 0.00 173.10 171.89 3hye s GLU 51 N -1.32 3.51 -0.24 0.00 -1.05 -0.65 -2.17 118.70 116.78 3hye s GLU 51 Ca -0.10 -0.35 -0.06 0.00 -0.15 0.00 0.00 54.97 54.31 3hye s GLU 51 Cb -0.09 -2.93 -0.02 0.00 -0.44 0.00 0.00 34.13 30.66 3hye s GLU 51 CO -0.00 0.50 0.02 1.03 0.95 0.00 0.00 175.26 177.76 3hye s ARG 52 N -2.87 3.48 1.14 -4.83 0.52 0.65 -4.67 118.95 112.36 3hye s ARG 52 Ca 0.37 -0.57 -0.18 0.00 -0.52 0.00 0.00 55.73 54.83 3hye s ARG 52 Cb -0.12 -3.18 0.15 0.00 0.52 0.00 0.00 34.95 32.32 3hye s ARG 52 CO 0.27 -0.21 0.16 -2.13 0.02 0.00 0.00 175.30 173.41 3hye n ARG 53 N 4.86 -1.98 -0.92 3.54 0.63 -1.26 -4.75 116.66 116.77 3hye n ARG 53 Ca -0.17 -0.57 -0.00 0.00 -0.92 0.00 0.00 57.85 56.19 3hye n ARG 53 Cb 0.51 -1.71 -0.01 0.00 0.45 0.00 0.00 32.46 31.69 3hye n ARG 53 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3hye n SER 54 N -2.11 0.07 0.25 6.15 7.64 -1.26 -4.88 113.62 119.48 3hye n SER 54 Ca 0.02 -1.80 0.09 0.00 1.01 0.00 0.00 58.87 58.19 3hye n SER 54 Cb 0.58 -0.07 0.65 0.00 -1.01 0.00 0.00 64.21 64.36 3hye n SER 54 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 3hye h THR 55 N 6.12 0.86 -2.92 0.44 2.02 -2.07 -3.41 112.91 113.95 3hye h THR 55 Ca -0.21 -0.42 -0.15 0.00 0.77 0.00 0.00 66.41 66.40 3hye h THR 55 Cb 1.47 1.24 -0.26 0.00 -1.74 0.00 0.00 68.15 68.86 3hye h THR 55 CO -0.04 0.11 -0.37 -0.76 0.37 0.00 0.00 175.52 174.83 3hye s LEU 56 N -8.15 0.51 -0.07 2.58 2.01 -1.26 -5.15 118.68 109.15 3hye s LEU 56 Ca -0.04 0.66 -0.02 0.00 0.01 0.00 0.00 54.13 54.74 3hye s LEU 56 Cb 0.15 1.05 0.03 0.00 0.01 0.00 0.00 46.19 47.43 3hye s LEU 56 CO 0.64 -0.14 0.05 -0.75 1.01 0.00 0.00 176.35 177.16 3hye s LYS 57 N 0.70 0.10 0.00 1.70 2.36 -1.26 -4.82 119.74 118.52 3hye s LYS 57 Ca -0.04 0.24 0.00 0.00 -2.55 0.00 0.00 55.97 53.62 3hye s LYS 57 Cb -0.06 -0.81 0.00 0.00 -1.05 0.00 0.00 37.83 35.91 3hye s LYS 57 CO -0.05 -0.37 0.00 -0.11 1.55 0.00 0.00 175.35 176.37 3hye n LEU 58 N 5.26 0.00 -4.80 5.43 7.94 -1.26 -5.16 117.00 124.40 3hye n LEU 58 Ca -0.05 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.56 3hye n LEU 58 Cb 0.50 0.00 0.09 0.00 0.53 0.00 0.00 43.42 44.54 3hye n LEU 58 CO 0.08 0.00 0.71 -1.10 -1.11 0.00 0.00 177.39 175.97 3hye s GLN 59 N 0.00 2.02 -0.63 1.96 -0.21 -1.26 -5.03 119.66 116.52 3hye s GLN 59 Ca 0.00 0.60 -0.07 0.00 0.02 0.00 0.00 55.36 55.91 3hye s GLN 59 Cb 0.00 -1.91 0.16 0.00 1.00 0.00 0.00 33.01 32.26 3hye s GLN 59 CO 0.00 -1.66 0.48 0.34 -2.12 0.00 0.00 175.29 172.34 3hye s ASP 60 N -3.93 5.71 0.55 5.90 3.68 -1.26 -4.96 116.67 122.37 3hye s ASP 60 Ca 0.61 -2.56 0.26 0.00 2.13 0.00 0.00 52.55 52.99 3hye s ASP 60 Cb -0.14 -1.97 1.47 0.00 -1.45 0.00 0.00 42.92 40.82 3hye s ASP 60 CO 0.54 -0.50 2.03 0.71 0.13 0.00 0.00 175.17 178.08 3hye h THR 61 N 5.41 0.64 0.08 1.71 1.35 -1.95 -1.52 112.91 118.63 3hye h THR 61 Ca -0.04 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 3hye h THR 61 Cb 1.01 0.78 -0.00 0.00 -1.73 0.00 0.00 68.15 68.20 3hye h THR 61 CO 0.76 0.00 -0.06 0.03 -0.25 0.00 0.00 175.52 175.99 3hye h ARG 62 N 0.00 -0.15 0.01 4.72 3.08 -2.03 -3.33 114.38 116.69 3hye h ARG 62 Ca 0.17 0.01 -0.31 0.00 0.07 0.00 0.00 59.98 59.92 3hye h ARG 62 Cb 0.78 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.81 3hye h ARG 62 CO -0.00 -0.10 -1.83 0.44 -1.07 0.00 0.00 179.97 177.41 3hye n ILE 62 N -5.17 1.60 -1.68 2.04 -5.35 -1.08 -4.93 119.36 104.79 3hye n ILE 62 Ca -0.07 -0.79 -0.45 0.00 -0.27 0.00 0.00 62.75 61.17 3hye n ILE 62 Cb 0.10 -1.04 -0.04 0.00 -1.74 0.00 0.00 39.64 36.92 3hye n ILE 62 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 3hye n THR 63 N -3.05 0.21 -1.58 7.28 -1.04 -0.59 -4.85 114.28 110.66 3hye n THR 63 Ca -0.21 -0.04 -0.51 0.00 -2.04 0.00 0.00 64.05 61.25 3hye n THR 63 Cb 1.06 -1.83 -0.05 0.00 -1.82 0.00 0.00 70.33 67.69 3hye n THR 63 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3hye n PRO 64 N 4.72 1.05 -1.96 -2.82 -0.04 -1.26 -4.93 135.00 129.76 3hye n PRO 64 Ca 0.18 0.38 -0.30 0.00 -0.04 0.00 0.00 63.50 63.72 3hye n PRO 64 Cb 0.32 -1.95 0.03 0.00 -0.04 0.00 0.00 33.50 31.86 3hye n PRO 64 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3hye s SER 65 N 0.25 5.87 0.20 3.54 1.04 -1.26 -5.02 113.70 118.33 3hye s SER 65 Ca 0.81 1.23 0.14 0.00 0.48 0.00 0.00 55.95 58.61 3hye s SER 65 Cb -0.94 -2.19 -0.02 0.00 0.10 0.00 0.00 66.02 62.97 3hye s SER 65 CO 0.50 -1.06 1.26 0.50 0.98 0.00 0.00 173.24 175.42 3hye h LYS 66 N -0.41 0.00 -5.34 4.02 1.63 -1.96 -3.44 116.57 111.08 3hye h LYS 66 Ca -0.45 0.00 -0.61 0.00 -0.85 0.00 0.00 60.65 58.74 3hye h LYS 66 Cb 1.22 0.00 -0.11 0.00 -0.60 0.00 0.00 32.23 32.74 3hye h LYS 66 CO 0.63 0.51 -0.49 0.08 -3.45 0.00 0.00 179.45 176.73 3hye s VAL 67 N -2.91 5.40 -0.02 2.00 1.01 -1.26 -4.15 120.40 120.47 3hye s VAL 67 Ca 0.02 0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.25 3hye s VAL 67 Cb 0.08 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.00 3hye s VAL 67 CO 0.77 0.47 -0.21 -0.44 0.00 0.00 0.00 175.10 175.69 3hye s SER 68 N 0.12 2.52 -0.12 3.32 0.01 0.65 -4.94 113.70 115.26 3hye s SER 68 Ca 0.09 -0.39 -0.24 0.00 1.31 0.00 0.00 55.95 56.72 3hye s SER 68 Cb -0.11 -0.29 -0.03 0.00 0.21 0.00 0.00 66.02 65.80 3hye s SER 68 CO -0.01 0.26 0.75 -0.54 0.41 0.00 0.00 173.24 174.11 3hye s LYS 69 N -0.49 4.36 -0.09 12.44 1.02 -1.26 0.42 119.74 136.14 3hye s LYS 69 Ca 0.08 0.92 0.05 0.00 0.02 0.00 0.00 55.97 57.04 3hye s LYS 69 Cb -0.08 -3.51 -0.24 0.00 -0.52 0.00 0.00 37.83 33.47 3hye s LYS 69 CO -0.01 -0.13 0.49 -0.89 -0.92 0.00 0.00 175.35 173.90 3hye n ILE 70 N 4.26 1.66 -3.97 2.17 -0.00 -0.13 -4.95 119.36 118.39 3hye n ILE 70 Ca 0.01 -0.74 -0.13 0.00 -0.00 0.00 0.00 62.75 61.89 3hye n ILE 70 Cb 0.50 -1.28 -0.01 0.00 -0.00 0.00 0.00 39.64 38.86 3hye n ILE 70 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 3hye n ASP 71 N -3.20 -1.72 0.14 4.38 4.64 -1.15 -4.54 116.55 115.10 3hye n ASP 71 Ca -0.24 -2.83 0.12 0.00 -1.38 0.00 0.00 54.79 50.45 3hye n ASP 71 Cb 1.05 3.05 0.53 0.00 -1.04 0.00 0.00 41.12 44.72 3hye n ASP 71 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 3hye n SER 72 N -1.58 0.64 -0.02 1.67 3.41 -1.26 -2.82 113.62 113.65 3hye n SER 72 Ca -0.03 0.71 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 3hye n SER 72 Cb 0.60 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 3hye n SER 72 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hye n HIS 73 N -2.26 0.01 -3.93 7.33 1.44 -1.26 -4.09 115.22 112.46 3hye n HIS 73 Ca 0.01 -0.19 -0.13 0.00 -2.01 0.00 0.00 57.72 55.40 3hye n HIS 73 Cb 0.15 -0.02 -0.14 0.00 0.12 0.00 0.00 29.99 30.10 3hye n HIS 73 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3hye s VAL 74 N -0.40 0.10 0.19 0.61 1.01 -1.13 -2.57 120.40 118.22 3hye s VAL 74 Ca 0.01 -0.04 0.07 0.00 0.00 0.00 0.00 61.98 62.02 3hye s VAL 74 Cb 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 36.38 36.23 3hye s VAL 74 CO 0.00 0.04 -0.14 0.68 0.00 0.00 0.00 175.10 175.68 3hye s VAL 75 N 0.08 1.63 -0.02 2.92 -7.23 0.14 -0.96 120.40 116.95 3hye s VAL 75 Ca -0.01 -2.15 0.00 0.00 -1.81 0.00 0.00 61.98 58.02 3hye s VAL 75 Cb -0.02 -1.97 0.02 0.00 0.56 0.00 0.00 36.38 34.97 3hye s VAL 75 CO -0.00 -0.60 -0.00 -0.22 -0.31 0.00 0.00 175.10 173.97 3hye s LEU 76 N -3.21 1.40 0.37 1.32 0.20 0.17 -1.49 118.68 117.43 3hye s LEU 76 Ca 0.20 -0.02 0.06 0.00 0.69 0.00 0.00 54.13 55.07 3hye s LEU 76 Cb -0.01 -0.17 -0.07 0.00 -0.43 0.00 0.00 46.19 45.51 3hye s LEU 76 CO 0.06 -0.07 0.01 -0.94 -0.29 0.00 0.00 176.35 175.12 3hye s SER 77 N 0.71 3.29 0.26 3.68 1.04 -0.13 -0.25 113.70 122.31 3hye s SER 77 Ca -0.07 -1.35 -0.21 0.00 0.48 0.00 0.00 55.95 54.80 3hye s SER 77 Cb -0.10 -0.28 0.03 0.00 0.10 0.00 0.00 66.02 65.78 3hye s SER 77 CO -0.01 -0.48 0.77 0.72 0.98 0.00 0.00 173.24 175.22 3hye s PHE 78 N -2.92 -0.16 -0.02 5.02 -0.12 -1.26 -1.25 117.98 117.27 3hye s PHE 78 Ca 0.35 -0.29 0.00 0.00 -0.05 0.00 0.00 56.93 56.95 3hye s PHE 78 Cb 0.09 0.71 0.02 0.00 -0.63 0.00 0.00 43.02 43.20 3hye s PHE 78 CO 0.17 -1.19 0.01 -1.12 -0.05 0.00 0.00 175.22 173.04 3hye s SER 79 N -2.94 0.26 0.00 1.98 0.01 -0.76 -4.79 113.70 107.46 3hye s SER 79 Ca 0.12 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.37 3hye s SER 79 Cb -0.05 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.04 3hye s SER 79 CO 0.06 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.24 3hye n GLY 80 N 3.95 0.65 3.66 3.44 0.00 -1.26 -2.06 105.19 113.58 3hye n GLY 80 Ca -0.25 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 3hye n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hye s LEU 81 N 0.00 4.28 0.08 0.99 1.43 0.26 -4.75 118.68 120.97 3hye s LEU 81 Ca 0.00 2.05 -0.22 0.00 -1.03 0.00 0.00 54.13 54.93 3hye s LEU 81 Cb 0.00 -3.54 -0.13 0.00 0.03 0.00 0.00 46.19 42.56 3hye s LEU 81 CO 0.00 -0.86 1.67 0.78 0.23 0.00 0.00 176.35 178.17 3hye h ASN 82 N 8.98 0.10 -0.97 2.29 -0.26 -1.97 -1.79 115.58 121.96 3hye h ASN 82 Ca -0.35 -0.09 0.11 0.00 -0.56 0.00 0.00 56.30 55.41 3hye h ASN 82 Cb 1.15 -0.03 -0.08 0.00 -1.06 0.00 0.00 38.32 38.31 3hye h ASN 82 CO 0.96 0.16 0.60 0.00 -1.06 0.00 0.00 177.43 178.09 3hye h ALA 83 N 0.94 1.44 -0.61 -0.83 0.00 -2.00 -1.36 119.26 116.85 3hye h ALA 83 Ca 0.03 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3hye h ALA 83 Cb 0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3hye h ALA 83 CO -0.00 0.21 0.00 -0.44 0.00 0.00 0.00 179.25 179.02 3hye h ASP 84 N 0.97 1.05 -0.66 0.00 3.45 -1.88 -3.04 116.42 116.30 3hye h ASP 84 Ca 0.47 -0.31 0.02 0.00 0.43 0.00 0.00 57.03 57.65 3hye h ASP 84 Cb 0.45 -0.28 -0.03 0.00 -0.56 0.00 0.00 39.33 38.90 3hye h ASP 84 CO -0.26 1.10 0.44 0.77 -1.57 0.00 0.00 179.24 179.72 3hye h SER 85 N 0.97 0.73 -0.70 6.45 4.64 -0.38 -2.34 113.55 122.92 3hye h SER 85 Ca 0.17 -0.01 0.06 0.00 -0.47 0.00 0.00 61.79 61.54 3hye h SER 85 Cb 0.56 -0.18 -0.06 0.00 -0.31 0.00 0.00 62.40 62.42 3hye h SER 85 CO 0.03 0.52 0.39 0.03 -0.87 0.00 0.00 176.83 176.93 3hye h ARG 86 N 0.85 0.70 -0.42 4.77 3.08 -1.36 0.58 114.38 122.58 3hye h ARG 86 Ca 0.25 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.28 3hye h ARG 86 Cb -0.04 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.83 3hye h ARG 86 CO -0.06 0.46 0.25 0.82 -1.07 0.00 0.00 179.97 180.37 3hye h ILE 87 N 0.72 1.04 -0.61 2.04 1.08 -1.49 -0.41 117.51 119.88 3hye h ILE 87 Ca 0.31 -0.17 -0.09 0.00 -0.39 0.00 0.00 64.86 64.52 3hye h ILE 87 Cb 0.20 0.50 -0.02 0.00 -3.07 0.00 0.00 36.82 34.42 3hye h ILE 87 CO -0.19 0.09 0.03 -0.07 -0.69 0.00 0.00 178.15 177.33 3hye h LEU 88 N 0.50 1.03 -0.18 1.44 3.38 -1.30 -2.66 115.31 117.52 3hye h LEU 88 Ca 0.17 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3hye h LEU 88 Cb 0.01 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3hye h LEU 88 CO -0.08 1.07 0.07 0.40 0.09 0.00 0.00 178.44 179.99 3hye h ILE 89 N 0.96 1.16 -0.39 1.22 2.04 -0.45 -1.07 117.51 120.98 3hye h ILE 89 Ca 0.18 -0.48 0.04 0.00 1.00 0.00 0.00 64.86 65.59 3hye h ILE 89 Cb 0.52 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.72 3hye h ILE 89 CO 0.03 0.15 0.18 -0.08 0.00 0.00 0.00 178.15 178.43 3hye h GLU 90 N 0.13 0.35 -0.75 2.37 4.57 -1.06 -0.33 114.58 119.86 3hye h GLU 90 Ca 0.06 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 3hye h GLU 90 Cb 0.18 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.65 3hye h GLU 90 CO -0.00 0.23 0.40 0.87 -1.18 0.00 0.00 179.01 179.33 3hye h LYS 91 N 0.36 1.05 -0.40 1.92 1.57 -1.36 -0.54 116.57 119.18 3hye h LYS 91 Ca 0.17 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 3hye h LYS 91 Cb 0.11 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 3hye h LYS 91 CO -0.14 0.78 0.06 0.00 -0.57 0.00 0.00 179.45 179.57 3hye h ALA 92 N 1.39 0.53 -0.69 3.86 0.00 -0.53 -0.06 119.26 123.75 3hye h ALA 92 Ca 0.26 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3hye h ALA 92 Cb 0.05 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3hye h ALA 92 CO -0.04 0.25 0.14 0.00 0.00 0.00 0.00 179.25 179.60 3hye h ARG 93 N 0.51 1.13 -0.16 0.00 3.08 -0.70 -0.63 114.38 117.61 3hye h ARG 93 Ca 0.12 -0.29 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 3hye h ARG 93 Cb 0.38 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 3hye h ARG 93 CO 0.01 1.01 0.05 0.28 -1.07 0.00 0.00 179.97 180.25 3hye h VAL 94 N 1.06 1.19 0.00 2.04 2.07 -0.95 -2.61 116.25 119.05 3hye h VAL 94 Ca 0.21 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 3hye h VAL 94 Cb 0.41 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 3hye h VAL 94 CO 0.01 0.18 -0.09 -0.08 0.02 0.00 0.00 177.57 177.60 3hye h GLU 95 N 0.08 0.00 -0.31 1.57 4.57 -0.73 -1.50 114.58 118.25 3hye h GLU 95 Ca 0.05 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.06 3hye h GLU 95 Cb 0.23 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.82 3hye h GLU 95 CO -0.00 0.09 -0.46 0.00 -1.18 0.00 0.00 179.01 177.46 3hye h ALA 96 N 1.91 0.48 -0.15 2.92 0.00 -0.76 -1.80 119.26 121.86 3hye h ALA 96 Ca -0.00 -0.48 -0.19 0.00 0.00 0.00 0.00 54.91 54.24 3hye h ALA 96 Cb 0.22 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3hye h ALA 96 CO 0.01 0.63 -0.67 1.96 0.00 0.00 0.00 179.25 181.19 3hye h GLN 97 N 0.65 0.58 -0.55 0.00 1.08 -1.06 -2.57 115.11 113.23 3hye h GLN 97 Ca 0.03 -0.43 -0.02 0.00 -1.45 0.00 0.00 58.65 56.79 3hye h GLN 97 Cb 1.06 0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 28.54 3hye h GLN 97 CO 0.11 1.05 0.27 1.03 -0.95 0.00 0.00 178.83 180.33 3hye h SER 98 N 0.42 0.72 -0.71 1.46 0.87 -1.26 -0.44 113.55 114.61 3hye h SER 98 Ca -0.02 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 3hye h SER 98 Cb 1.25 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.99 3hye h SER 98 CO 0.13 0.64 0.46 -0.74 -0.53 0.00 0.00 176.83 176.79 3hye h HIS 99 N 0.75 0.91 -0.20 2.24 -0.00 -1.26 -0.88 115.15 116.71 3hye h HIS 99 Ca 0.19 0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.49 3hye h HIS 99 Cb 0.11 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 27.20 3hye h HIS 99 CO -0.00 0.59 -0.25 0.00 -0.00 0.00 0.00 177.93 178.27 3hye h ARG 100 N 0.97 0.37 -0.07 5.26 3.08 -1.06 0.02 114.38 122.95 3hye h ARG 100 Ca 0.26 -0.13 -0.20 0.00 0.07 0.00 0.00 59.98 59.98 3hye h ARG 100 Cb -0.08 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 3hye h ARG 100 CO -0.05 0.60 -0.79 1.25 -1.07 0.00 0.00 179.97 179.91 3hye h LEU 101 N 0.33 0.55 0.07 3.04 5.85 -0.46 -2.30 115.31 122.40 3hye h LEU 101 Ca 0.05 -0.38 -0.37 0.00 0.84 0.00 0.00 57.88 58.01 3hye h LEU 101 Cb 0.62 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 3hye h LEU 101 CO 0.04 1.14 -2.19 0.35 -0.34 0.00 0.00 178.44 177.45 3hye n THR 102 N -3.83 1.66 0.86 1.05 -2.24 -0.39 -4.43 114.28 106.96 3hye n THR 102 Ca -0.05 -0.63 0.11 0.00 -2.27 0.00 0.00 64.05 61.21 3hye n THR 102 Cb 0.74 -1.58 0.12 0.00 -2.10 0.00 0.00 70.33 67.52 3hye n THR 102 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3hye n LEU 103 N -3.37 0.64 -3.60 3.22 7.99 -0.01 -4.97 117.00 116.89 3hye n LEU 103 Ca -0.37 -0.08 -0.22 0.00 -0.01 0.00 0.00 56.01 55.32 3hye n LEU 103 Cb 1.03 -0.16 0.07 0.00 -0.11 0.00 0.00 43.42 44.25 3hye n LEU 103 CO 0.36 0.12 0.16 -0.62 -1.51 0.00 0.00 177.39 175.90 3hye n GLU 104 N -1.66 -7.00 -3.64 3.23 1.02 -0.86 -4.99 120.64 106.74 3hye n GLU 104 Ca 0.04 0.79 -0.08 0.00 -0.02 0.00 0.00 57.16 57.89 3hye n GLU 104 Cb 0.37 -5.77 -0.07 0.00 -0.02 0.00 0.00 31.44 25.95 3hye n GLU 104 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3hye s ASP 105 N -3.73 -0.46 0.74 1.62 3.68 -1.25 -5.05 116.67 112.22 3hye s ASP 105 Ca 0.37 0.86 -0.12 0.00 2.13 0.00 0.00 52.55 55.79 3hye s ASP 105 Cb -0.17 0.94 0.04 0.00 -1.45 0.00 0.00 42.92 42.28 3hye s ASP 105 CO 0.75 -0.14 1.10 -2.16 0.13 0.00 0.00 175.17 174.84 3hye s PRO 106 N 0.46 2.41 0.66 4.34 0.04 -1.26 -3.76 135.00 137.89 3hye s PRO 106 Ca 0.01 1.24 -0.17 0.00 0.04 0.00 0.00 61.00 62.12 3hye s PRO 106 Cb -0.05 -1.91 -0.00 0.00 0.04 0.00 0.00 34.50 32.58 3hye s PRO 106 CO -0.08 -1.54 1.24 0.14 0.04 0.00 0.00 177.00 176.80 3hye s VAL 107 N -2.72 2.29 0.71 -0.36 -7.23 -1.26 -4.74 120.40 107.08 3hye s VAL 107 Ca 0.63 0.17 -0.08 0.00 -1.81 0.00 0.00 61.98 60.89 3hye s VAL 107 Cb -0.18 -2.97 0.05 0.00 0.56 0.00 0.00 36.38 33.84 3hye s VAL 107 CO 0.52 -0.05 1.04 0.42 -0.31 0.00 0.00 175.10 176.72 3hye s THR 108 N -1.63 2.65 0.21 5.32 -4.23 -1.26 -4.57 115.64 112.14 3hye s THR 108 Ca 0.79 -0.05 -0.01 0.00 -1.18 0.00 0.00 61.69 61.24 3hye s THR 108 Cb -0.33 -3.16 -0.04 0.00 1.34 0.00 0.00 72.50 70.31 3hye s THR 108 CO 0.39 -0.18 1.54 0.58 -0.54 0.00 0.00 174.62 176.41 3hye h VAL 109 N -0.63 1.33 -0.44 2.29 2.07 -1.92 -2.39 116.25 116.57 3hye h VAL 109 Ca -0.45 -1.81 -0.13 0.00 0.82 0.00 0.00 66.70 65.13 3hye h VAL 109 Cb 1.30 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 3hye h VAL 109 CO 0.62 0.55 -0.24 -0.08 0.02 0.00 0.00 177.57 178.44 3hye h GLU 110 N 0.36 0.91 0.16 1.57 4.22 -1.97 -1.15 114.58 118.67 3hye h GLU 110 Ca 0.01 -0.39 -0.01 0.00 0.08 0.00 0.00 59.36 59.05 3hye h GLU 110 Cb 1.07 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.29 3hye h GLU 110 CO 0.10 1.05 -0.08 -0.92 -2.18 0.00 0.00 179.01 176.98 3hye h TYR 111 N 0.78 -0.20 -0.85 0.92 3.20 -1.92 0.22 116.97 119.13 3hye h TYR 111 Ca 0.10 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.03 3hye h TYR 111 Cb 0.80 0.07 -0.05 0.00 1.54 0.00 0.00 36.73 39.08 3hye h TYR 111 CO 0.05 -0.04 0.56 1.25 -1.64 0.00 0.00 178.16 178.34 3hye h LEU 112 N -0.32 0.83 -0.06 2.82 7.12 -1.37 -0.99 115.31 123.34 3hye h LEU 112 Ca -0.02 0.01 -0.02 0.00 0.13 0.00 0.00 57.88 57.98 3hye h LEU 112 Cb 0.25 -0.17 -0.00 0.00 -0.53 0.00 0.00 40.66 40.21 3hye h LEU 112 CO 0.04 0.54 -0.02 0.74 -0.13 0.00 0.00 178.44 179.60 3hye h THR 113 N 0.95 1.30 -0.15 1.05 2.02 -0.84 -2.02 112.91 115.22 3hye h THR 113 Ca 0.37 -0.95 0.03 0.00 0.77 0.00 0.00 66.41 66.63 3hye h THR 113 Cb 0.22 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 3hye h THR 113 CO -0.13 0.26 0.11 -0.09 0.37 0.00 0.00 175.52 176.03 3hye h ARG 114 N -0.23 0.05 -0.01 6.66 2.43 -0.06 -0.53 114.38 122.69 3hye h ARG 114 Ca 0.02 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3hye h ARG 114 Cb 0.42 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3hye h ARG 114 CO 0.01 0.03 -0.03 -0.92 -1.51 0.00 0.00 179.97 177.55 3hye h TYR 115 N 0.05 0.05 -0.49 2.20 3.20 -0.97 -1.67 116.97 119.34 3hye h TYR 115 Ca 0.07 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.92 3hye h TYR 115 Cb 0.21 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 3hye h TYR 115 CO -0.00 0.65 0.31 0.28 -1.64 0.00 0.00 178.16 177.76 3hye h VAL 116 N -0.57 1.14 -0.92 1.81 2.07 -0.94 -2.10 116.25 116.75 3hye h VAL 116 Ca -0.00 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.26 3hye h VAL 116 Cb 0.65 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 3hye h VAL 116 CO 0.01 0.14 0.60 0.00 0.02 0.00 0.00 177.57 178.33 3hye h ALA 117 N 1.16 1.20 -0.71 1.67 0.00 -1.15 -1.38 119.26 120.04 3hye h ALA 117 Ca 0.18 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3hye h ALA 117 Cb -0.04 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.38 3hye h ALA 117 CO -0.04 0.48 0.46 0.78 0.00 0.00 0.00 179.25 180.94 3hye h GLY 118 N 1.17 1.01 1.01 0.00 0.00 -0.74 0.21 103.07 105.73 3hye h GLY 118 Ca 0.36 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3hye h GLY 118 CO -0.11 0.33 0.40 -2.08 0.00 0.00 0.00 176.54 175.08 3hye h VAL 119 N 0.93 1.22 -0.27 4.60 2.07 -0.74 -0.72 116.25 123.34 3hye h VAL 119 Ca 0.27 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 3hye h VAL 119 Cb -0.06 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 3hye h VAL 119 CO -0.08 0.25 0.05 1.56 0.02 0.00 0.00 177.57 179.37 3hye h GLN 120 N 1.00 0.44 -0.55 1.57 4.20 -0.45 -2.59 115.11 118.73 3hye h GLN 120 Ca 0.26 -0.11 0.02 0.00 0.06 0.00 0.00 58.65 58.88 3hye h GLN 120 Cb 0.04 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 3hye h GLN 120 CO -0.04 0.55 0.33 0.37 -0.67 0.00 0.00 178.83 179.37 3hye h GLN 121 N 0.26 0.64 -0.91 1.46 -0.00 -0.31 -2.38 115.11 113.87 3hye h GLN 121 Ca 0.08 -0.04 0.09 0.00 -0.00 0.00 0.00 58.65 58.78 3hye h GLN 121 Cb 0.32 -0.14 -0.06 0.00 0.00 0.00 0.00 27.48 27.59 3hye h GLN 121 CO 0.00 0.42 0.59 -0.09 0.00 0.00 0.00 178.83 179.75 3hye h ARG 122 N 0.66 0.92 0.00 1.69 2.43 -1.00 0.64 114.38 119.72 3hye h ARG 122 Ca 0.22 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3hye h ARG 122 Cb 0.02 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.36 3hye h ARG 122 CO -0.10 0.61 0.00 0.66 -1.51 0.00 0.00 179.97 179.63 3hye n TYR 123 N -4.52 0.00 0.75 2.20 4.02 -0.90 -2.38 117.16 116.33 3hye n TYR 123 Ca 0.15 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 58.12 3hye n TYR 123 Cb 0.28 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.53 3hye n TYR 123 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3hye n THR 124 N -0.78 0.00 -2.75 -0.72 -2.24 0.22 -3.32 114.28 104.68 3hye n THR 124 Ca 0.10 -0.18 -0.04 0.00 -2.27 0.00 0.00 64.05 61.67 3hye n THR 124 Cb 0.05 1.05 0.06 0.00 -2.10 0.00 0.00 70.33 69.38 3hye n THR 124 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hye n GLN 125 N -1.05 1.47 -4.61 -0.78 10.64 -1.00 -4.66 117.38 117.39 3hye n GLN 125 Ca 0.04 -3.09 -0.24 0.00 -1.83 0.00 0.00 57.00 51.87 3hye n GLN 125 Cb 0.27 -1.19 -0.14 0.00 -0.86 0.00 0.00 30.24 28.33 3hye n GLN 125 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 3hye s SER 126 N -3.15 2.28 0.57 2.61 0.01 -1.17 -5.05 113.70 109.81 3hye s SER 126 Ca 0.25 -0.49 -0.18 0.00 1.31 0.00 0.00 55.95 56.84 3hye s SER 126 Cb 0.38 -0.19 -0.04 0.00 0.21 0.00 0.00 66.02 66.38 3hye s SER 126 CO -0.03 0.14 1.09 -0.83 0.41 0.00 0.00 173.24 174.02 3hye s GLY 127 N -1.10 2.37 -0.03 3.44 0.00 -1.26 -3.91 107.32 106.83 3hye s GLY 127 Ca 0.06 0.60 0.00 0.00 0.00 0.00 0.00 44.72 45.39 3hye s GLY 127 CO 0.01 0.94 0.00 0.61 0.00 0.00 0.00 173.10 174.67 3hye n GLY 128 N -0.38 0.25 3.06 0.20 0.00 0.14 -4.69 105.19 103.77 3hye n GLY 128 Ca 0.10 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.47 0.51 0.21 1.61 -7.23 -1.25 -4.90 120.40 107.88 3hye s VAL 129 Ca 0.00 -1.08 0.04 0.00 -1.81 0.00 0.00 61.98 59.13 3hye s VAL 129 Cb 0.00 -0.60 -0.03 0.00 0.56 0.00 0.00 36.38 36.30 3hye s VAL 129 CO 0.00 -0.40 0.32 0.00 -0.31 0.00 0.00 175.10 174.71 3hye s ARG 130 N -1.62 3.41 0.86 4.82 1.70 -1.26 -4.63 118.95 122.23 3hye s ARG 130 Ca -0.10 -0.72 -0.11 0.00 -0.47 0.00 0.00 55.73 54.33 3hye s ARG 130 Cb -0.10 -2.90 0.11 0.00 -0.57 0.00 0.00 34.95 31.49 3hye s ARG 130 CO 0.00 0.46 1.10 -2.14 -1.08 0.00 0.00 175.30 173.64 3hye s PRO 131 N -3.70 1.55 0.09 3.89 0.02 -1.21 -4.88 135.00 130.76 3hye s PRO 131 Ca 0.34 1.11 -0.30 0.00 0.02 0.00 0.00 61.00 62.17 3hye s PRO 131 Cb -0.10 -1.82 -0.06 0.00 0.02 0.00 0.00 34.50 32.54 3hye s PRO 131 CO 0.29 -2.12 1.19 -0.06 -0.33 0.00 0.00 177.00 175.96 3hye s PHE 132 N -2.84 3.45 -0.71 6.54 0.40 -1.26 -4.90 117.98 118.65 3hye s PHE 132 Ca 0.63 1.34 -0.05 0.00 -0.60 0.00 0.00 56.93 58.26 3hye s PHE 132 Cb -0.19 -3.41 0.02 0.00 0.51 0.00 0.00 43.02 39.95 3hye s PHE 132 CO 0.57 -1.21 2.80 0.41 0.70 0.00 0.00 175.22 178.49 3hye n GLY 133 N 2.96 4.40 3.03 4.36 0.00 -1.26 -4.48 105.19 114.20 3hye n GLY 133 Ca 0.08 -1.81 -0.10 0.00 0.00 0.00 0.00 46.02 44.18 3hye n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hye s VAL 134 N -1.19 0.09 -0.00 1.61 1.01 -1.26 -0.58 120.40 120.08 3hye s VAL 134 Ca 0.59 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.91 3hye s VAL 134 Cb 0.30 -0.31 -0.01 0.00 0.00 0.00 0.00 36.38 36.36 3hye s VAL 134 CO -0.15 -0.39 -0.14 -0.44 0.00 0.00 0.00 175.10 173.99 3hye s SER 135 N -1.24 1.59 0.18 3.32 0.01 -0.87 -3.00 113.70 113.69 3hye s SER 135 Ca -0.13 -0.28 0.08 0.00 1.31 0.00 0.00 55.95 56.92 3hye s SER 135 Cb -0.08 -0.16 -0.04 0.00 0.21 0.00 0.00 66.02 65.94 3hye s SER 135 CO 0.00 0.14 -0.16 0.42 0.41 0.00 0.00 173.24 174.06 3hye s THR 136 N -0.40 1.70 -0.13 1.44 -4.23 -0.16 -1.83 115.64 112.03 3hye s THR 136 Ca 0.05 -2.05 0.01 0.00 -1.18 0.00 0.00 61.69 58.52 3hye s THR 136 Cb -0.06 -1.91 0.02 0.00 1.34 0.00 0.00 72.50 71.89 3hye s THR 136 CO -0.00 -0.49 -0.17 -0.76 -0.54 0.00 0.00 174.62 172.66 3hye s LEU 137 N -3.00 1.85 -0.12 4.79 1.43 -0.38 -0.46 118.68 122.80 3hye s LEU 137 Ca 0.18 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 3hye s LEU 137 Cb -0.03 -1.24 0.01 0.00 0.03 0.00 0.00 46.19 44.96 3hye s LEU 137 CO 0.06 0.01 -0.20 -0.63 0.23 0.00 0.00 176.35 175.82 3hye s ILE 138 N 1.10 1.88 0.05 -0.59 1.01 -0.02 -0.95 121.20 123.68 3hye s ILE 138 Ca -0.03 -0.89 -0.00 0.00 0.00 0.00 0.00 60.65 59.74 3hye s ILE 138 Cb -0.14 -1.66 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 3hye s ILE 138 CO -0.05 0.52 -0.04 0.00 0.00 0.00 0.00 174.94 175.37 3hye s ALA 139 N 0.72 0.44 0.00 9.38 0.00 -0.55 -0.51 121.76 131.25 3hye s ALA 139 Ca -0.10 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.86 3hye s ALA 139 Cb -0.16 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.16 3hye s ALA 139 CO 0.01 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 175.92 3hye n GLY 140 N 0.67 -0.92 3.02 0.00 0.00 -0.94 -0.69 105.19 106.35 3hye n GLY 140 Ca -0.18 -1.12 -0.26 0.00 0.00 0.00 0.00 46.02 44.46 3hye n GLY 140 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hye s PHE 141 N -3.00 1.66 0.57 1.61 0.08 -1.06 -1.87 117.98 115.97 3hye s PHE 141 Ca 0.00 -0.70 -0.20 0.00 0.12 0.00 0.00 56.93 56.15 3hye s PHE 141 Cb 0.00 -1.23 -0.06 0.00 -0.57 0.00 0.00 43.02 41.17 3hye s PHE 141 CO 0.00 -0.38 0.97 -0.25 -0.10 0.00 0.00 175.22 175.47 3hye n ASP 142 N 4.08 0.88 -4.61 1.36 8.00 -1.26 -4.82 116.55 120.17 3hye n ASP 142 Ca -0.20 0.85 -0.49 0.00 0.71 0.00 0.00 54.79 55.66 3hye n ASP 142 Cb 0.51 -1.38 -0.05 0.00 -0.02 0.00 0.00 41.12 40.18 3hye n ASP 142 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3hye n PRO 143 N -0.77 1.45 -1.76 -0.24 -0.02 -1.26 -1.20 135.00 131.19 3hye n PRO 143 Ca 0.13 0.52 -0.21 0.00 -2.02 0.00 0.00 63.50 61.92 3hye n PRO 143 Cb 0.46 -2.15 -0.07 0.00 -0.02 0.00 0.00 33.50 31.72 3hye n PRO 143 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hye n ARG 14 N 2.42 -1.49 -4.44 -0.52 1.74 -1.26 -4.98 116.66 108.13 3hye n ARG 14 Ca 0.16 1.19 -0.25 0.00 -0.77 0.00 0.00 57.85 58.18 3hye n ARG 14 Cb 0.24 -5.63 -0.13 0.00 -1.02 0.00 0.00 32.46 25.92 3hye n ARG 14 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3hye s ASP 144 N -2.64 2.67 0.00 0.55 3.68 -0.34 -5.04 116.67 115.54 3hye s ASP 144 Ca 0.00 -0.64 0.10 0.00 2.13 0.00 0.00 52.55 54.13 3hye s ASP 144 Cb 0.00 -0.18 -0.01 0.00 -1.45 0.00 0.00 42.92 41.29 3hye s ASP 144 CO 0.00 0.12 0.62 -0.90 0.13 0.00 0.00 175.17 175.13 3hye n ASP 14 N 1.32 1.17 -4.65 -0.34 3.85 -1.26 -4.46 116.55 112.17 3hye n ASP 14 Ca -0.18 -1.08 -0.43 0.00 -0.71 0.00 0.00 54.79 52.38 3hye n ASP 14 Cb 0.53 0.49 -0.02 0.00 -1.35 0.00 0.00 41.12 40.77 3hye n ASP 14 CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 3hye s GLU 145 N -1.35 4.16 0.54 0.11 2.12 -1.26 -4.79 118.70 118.21 3hye s GLU 145 Ca 0.08 1.56 -0.22 0.00 0.36 0.00 0.00 54.97 56.75 3hye s GLU 145 Cb 0.08 -3.79 -0.05 0.00 0.26 0.00 0.00 34.13 30.62 3hye s GLU 145 CO 0.25 -0.81 1.35 -1.25 -0.54 0.00 0.00 175.26 174.26 3hye s PRO 146 N 3.66 3.21 -0.04 4.30 0.04 -1.26 -4.61 135.00 140.30 3hye s PRO 146 Ca 0.55 2.22 0.03 0.00 0.04 0.00 0.00 61.00 63.84 3hye s PRO 146 Cb -0.20 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.05 3hye s PRO 146 CO 0.16 -1.13 -0.14 0.15 0.04 0.00 0.00 177.00 176.09 3hye s LYS 147 N -2.87 1.50 -0.08 4.56 -0.14 -0.78 -5.03 119.74 116.91 3hye s LYS 147 Ca 0.70 -0.48 -0.03 0.00 -1.36 0.00 0.00 55.97 54.81 3hye s LYS 147 Cb -0.40 -1.32 0.04 0.00 -1.68 0.00 0.00 37.83 34.48 3hye s LYS 147 CO 0.47 0.16 0.15 -1.17 -0.76 0.00 0.00 175.35 174.21 3hye s LEU 148 N 0.20 -0.03 0.26 3.17 2.96 -1.26 -2.21 118.68 121.77 3hye s LEU 148 Ca -0.05 0.30 0.07 0.00 -0.22 0.00 0.00 54.13 54.22 3hye s LEU 148 Cb -0.11 0.23 -0.05 0.00 0.50 0.00 0.00 46.19 46.75 3hye s LEU 148 CO 0.02 -0.24 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.43 3hye s TYR 149 N 2.24 1.86 -0.00 5.38 2.02 0.33 -1.19 117.35 127.99 3hye s TYR 149 Ca 0.03 -0.70 0.01 0.00 -0.37 0.00 0.00 57.07 56.04 3hye s TYR 149 Cb -0.12 -1.02 -0.00 0.00 -0.40 0.00 0.00 41.96 40.42 3hye s TYR 149 CO -0.05 0.26 -0.02 -1.14 -1.57 0.00 0.00 175.55 173.03 3hye s GLN 150 N -3.72 0.17 0.18 -0.62 0.74 -0.54 -0.84 119.66 115.02 3hye s GLN 150 Ca 0.28 -0.07 0.07 0.00 0.05 0.00 0.00 55.36 55.69 3hye s GLN 150 Cb 0.03 -0.17 -0.04 0.00 1.10 0.00 0.00 33.01 33.93 3hye s GLN 150 CO 0.10 0.04 -0.15 0.95 -0.55 0.00 0.00 175.29 175.69 3hye s THR 151 N -0.02 1.63 0.10 -0.34 -4.23 0.39 -2.50 115.64 110.68 3hye s THR 151 Ca 0.00 -2.04 -0.01 0.00 -1.18 0.00 0.00 61.69 58.46 3hye s THR 151 Cb -0.01 -1.89 -0.04 0.00 1.34 0.00 0.00 72.50 71.90 3hye s THR 151 CO -0.00 -0.52 0.02 -1.83 -0.54 0.00 0.00 174.62 171.75 3hye s GLU 152 N -3.29 0.81 0.32 3.99 -1.05 -1.06 -0.99 118.70 117.43 3hye s GLU 152 Ca 0.18 -1.36 0.13 0.00 -0.15 0.00 0.00 54.97 53.77 3hye s GLU 152 Cb -0.02 0.20 1.04 0.00 -0.44 0.00 0.00 34.13 34.90 3hye s GLU 152 CO 0.05 -0.19 1.45 -2.30 0.95 0.00 0.00 175.26 175.22 3hye n PRO 153 N -0.02 -0.06 0.26 -4.83 -0.02 -1.16 0.18 135.00 129.35 3hye n PRO 153 Ca -0.09 1.31 0.08 0.00 -2.02 0.00 0.00 63.50 62.79 3hye n PRO 153 Cb 0.63 -2.25 0.65 0.00 -0.02 0.00 0.00 33.50 32.50 3hye n PRO 153 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hye h SER 154 N 0.00 0.00 0.00 2.55 4.64 -1.87 -3.39 113.55 115.48 3hye h SER 154 Ca 0.70 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.02 3hye h SER 154 Cb 1.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.81 3hye h SER 154 CO -0.77 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 175.82 3hye n GLY 155 N -1.46 0.86 3.75 -0.77 0.00 0.13 -4.01 105.19 103.69 3hye n GLY 155 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 3hye n GLY 155 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hye s ILE 156 N -2.00 4.05 0.09 -0.61 -1.09 -1.25 -4.60 121.20 115.79 3hye s ILE 156 Ca 0.00 2.02 -0.05 0.00 -2.23 0.00 0.00 60.65 60.39 3hye s ILE 156 Cb 0.00 -4.26 -0.02 0.00 -1.58 0.00 0.00 42.46 36.59 3hye s ILE 156 CO 0.00 0.45 0.10 -0.72 -1.23 0.00 0.00 174.94 173.54 3hye s TYR 157 N -1.23 0.45 -0.04 3.97 1.13 -1.26 -2.55 117.35 117.82 3hye s TYR 157 Ca 0.42 -0.90 -0.30 0.00 -1.41 0.00 0.00 57.07 54.88 3hye s TYR 157 Cb -0.25 -0.25 0.11 0.00 -1.10 0.00 0.00 41.96 40.46 3hye s TYR 157 CO 0.32 -0.51 1.03 -1.54 -2.51 0.00 0.00 175.55 172.34 3hye s SER 158 N -2.93 -0.24 0.08 -0.18 1.04 -1.04 -4.99 113.70 105.44 3hye s SER 158 Ca 0.11 -0.08 -0.05 0.00 0.48 0.00 0.00 55.95 56.42 3hye s SER 158 Cb 0.06 0.31 -0.05 0.00 0.10 0.00 0.00 66.02 66.44 3hye s SER 158 CO -0.07 -0.52 0.31 -0.94 0.98 0.00 0.00 173.24 173.01 3hye s SER 159 N -2.52 6.48 0.12 7.02 1.04 -1.26 -1.47 113.70 123.11 3hye s SER 159 Ca 0.08 0.53 0.06 0.00 0.48 0.00 0.00 55.95 57.11 3hye s SER 159 Cb -0.00 -2.07 -0.04 0.00 0.10 0.00 0.00 66.02 64.01 3hye s SER 159 CO -0.05 0.15 -0.14 0.26 0.98 0.00 0.00 173.24 174.43 3hye s TRP 160 N -1.49 1.40 0.11 5.02 0.52 -0.34 -4.99 118.94 119.18 3hye s TRP 160 Ca 0.35 -0.54 -0.06 0.00 0.02 0.00 0.00 56.10 55.87 3hye s TRP 160 Cb -0.13 -0.74 -0.16 0.00 -1.15 0.00 0.00 33.47 31.30 3hye s TRP 160 CO 0.22 0.14 1.25 0.77 0.02 0.00 0.00 176.95 179.35 3hye h SER 161 N 3.63 0.56 -4.42 2.95 0.02 -1.93 -3.40 113.55 110.95 3hye h SER 161 Ca -0.40 -0.48 -0.03 0.00 -0.84 0.00 0.00 61.79 60.04 3hye h SER 161 Cb 1.19 -0.17 -0.21 0.00 0.14 0.00 0.00 62.40 63.35 3hye h SER 161 CO 0.49 1.30 0.23 0.00 -1.14 0.00 0.00 176.83 177.71 3hye s ALA 162 N -3.12 -1.81 0.16 3.77 0.00 -1.26 -1.10 121.76 118.41 3hye s ALA 162 Ca -0.06 1.63 -0.22 0.00 0.00 0.00 0.00 51.96 53.31 3hye s ALA 162 Cb 0.08 -0.59 0.07 0.00 0.00 0.00 0.00 23.12 22.68 3hye s ALA 162 CO 0.88 -0.34 0.59 -1.14 0.00 0.00 0.00 175.76 175.75 3hye s GLN 163 N -0.55 1.28 0.03 0.00 2.00 0.12 -5.00 119.66 117.55 3hye s GLN 163 Ca -0.05 -0.50 -0.05 0.00 -2.00 0.00 0.00 55.36 52.76 3hye s GLN 163 Cb -0.02 0.58 -0.01 0.00 0.80 0.00 0.00 33.01 34.36 3hye s GLN 163 CO 0.05 -0.56 0.08 -0.08 -0.50 0.00 0.00 175.29 174.28 3hye s THR 164 N -3.76 0.13 0.07 -0.34 -1.32 -1.26 -0.48 115.64 108.69 3hye s THR 164 Ca 0.01 -1.07 -0.06 0.00 -1.21 0.00 0.00 61.69 59.36 3hye s THR 164 Cb -0.01 -0.81 -0.02 0.00 -1.51 0.00 0.00 72.50 70.16 3hye s THR 164 CO -0.12 -0.59 0.11 0.27 -2.21 0.00 0.00 174.62 172.08 3hye s ILE 165 N -2.42 0.17 0.00 5.08 -4.36 0.51 -4.96 121.20 115.22 3hye s ILE 165 Ca -0.07 -1.40 0.00 0.00 -0.26 0.00 0.00 60.65 58.92 3hye s ILE 165 Cb -0.02 -1.40 0.00 0.00 1.25 0.00 0.00 42.46 42.29 3hye s ILE 165 CO -0.04 -0.77 0.00 0.61 0.24 0.00 0.00 174.94 174.98 3hye n GLY 166 N 0.01 -1.60 3.77 6.27 0.00 -1.26 -0.49 105.19 111.89 3hye n GLY 166 Ca -0.15 -2.11 -0.41 0.00 0.00 0.00 0.00 46.02 43.35 3hye n GLY 166 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3hye s ARG 167 N -0.14 4.19 -1.67 1.61 1.70 -0.53 -2.11 118.95 122.01 3hye s ARG 167 Ca 0.00 2.46 0.00 0.00 -0.47 0.00 0.00 55.73 57.72 3hye s ARG 167 Cb 0.00 -3.01 0.00 0.00 -0.57 0.00 0.00 34.95 31.37 3hye s ARG 167 CO 0.00 -0.43 0.00 0.09 -1.08 0.00 0.00 175.30 173.88 3hye n ASN 168 N 0.71 -5.47 0.25 -2.89 5.03 -1.26 -4.39 115.26 107.24 3hye n ASN 168 Ca 0.01 0.39 0.12 0.00 0.87 0.00 0.00 54.58 55.97 3hye n ASN 168 Cb 0.40 -4.35 0.65 0.00 -1.02 0.00 0.00 39.78 35.46 3hye n ASN 168 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 3hye h SER 169 N 0.00 0.00 0.09 6.41 4.64 -1.72 -2.23 113.55 120.74 3hye h SER 169 Ca -0.32 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.01 3hye h SER 169 Cb 1.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 3hye h SER 169 CO 0.47 0.16 -0.13 0.50 -0.87 0.00 0.00 176.83 176.96 3hye h LYS 170 N 0.00 -0.25 0.30 4.77 1.63 -1.87 0.10 116.57 121.25 3hye h LYS 170 Ca -0.00 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 3hye h LYS 170 Cb 0.46 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.13 3hye h LYS 170 CO 0.02 -0.17 -0.28 1.15 -3.45 0.00 0.00 179.45 176.72 3hye h THR 171 N -0.26 0.00 -0.19 1.00 2.02 -1.80 -2.68 112.91 111.00 3hye h THR 171 Ca 0.02 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.25 3hye h THR 171 Cb 0.27 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 3hye h THR 171 CO -0.06 0.00 0.17 1.62 0.37 0.00 0.00 175.52 177.62 3hye h VAL 172 N -0.57 0.62 -0.38 3.16 3.04 -1.44 -1.16 116.25 119.52 3hye h VAL 172 Ca -0.04 0.00 -0.13 0.00 -1.01 0.00 0.00 66.70 65.53 3hye h VAL 172 Cb 0.49 0.87 -0.01 0.00 -2.01 0.00 0.00 31.29 30.63 3hye h VAL 172 CO -0.02 0.00 -0.26 -0.09 -1.01 0.00 0.00 177.57 176.19 3hye h ARG 173 N 0.00 0.84 -0.33 4.17 2.43 -0.60 -1.76 114.38 119.14 3hye h ARG 173 Ca 0.09 -0.40 0.04 0.00 -0.81 0.00 0.00 59.98 58.90 3hye h ARG 173 Cb 0.44 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.94 3hye h ARG 173 CO -0.00 1.04 0.11 0.93 -1.51 0.00 0.00 179.97 180.53 3hye h GLU 174 N 0.64 0.24 -0.28 0.20 3.07 -0.89 0.27 114.58 117.83 3hye h GLU 174 Ca 0.07 -0.01 0.06 0.00 -0.50 0.00 0.00 59.36 58.99 3hye h GLU 174 Cb 0.83 -0.05 -0.07 0.00 -0.84 0.00 0.00 28.75 28.62 3hye h GLU 174 CO 0.07 0.16 -0.17 0.35 -1.40 0.00 0.00 179.01 178.01 3hye h PHE 175 N 0.24 -0.43 -0.47 4.33 3.57 -1.27 -1.52 116.94 121.40 3hye h PHE 175 Ca 0.15 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 3hye h PHE 175 Cb 0.12 0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 3hye h PHE 175 CO -0.14 -0.25 0.11 -0.07 -2.23 0.00 0.00 178.31 175.73 3hye h LEU 176 N -0.15 0.65 -1.54 0.59 3.38 -0.43 -1.99 115.31 115.83 3hye h LEU 176 Ca 0.15 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3hye h LEU 176 Cb 0.37 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3hye h LEU 176 CO -0.37 0.66 -0.12 -0.33 0.09 0.00 0.00 178.44 178.37 3hye h GLU 177 N 0.69 0.00 -0.05 1.13 5.08 0.49 -0.60 114.58 121.32 3hye h GLU 177 Ca 0.15 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 3hye h GLU 177 Cb 0.27 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 3hye h GLU 177 CO -0.00 0.12 -0.47 0.36 -1.00 0.00 0.00 179.01 178.01 3hye n LYS 178 N -3.34 1.65 0.00 2.33 2.85 -0.80 -4.53 118.16 116.32 3hye n LYS 178 Ca -0.00 -3.32 0.00 0.00 -1.05 0.00 0.00 58.31 53.94 3hye n LYS 178 Cb 0.32 -1.65 0.00 0.00 -0.65 0.00 0.00 35.03 33.05 3hye n LYS 178 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3hye n ASN 179 N -1.11 0.00 -4.05 -5.58 3.02 -0.78 -5.01 115.26 101.75 3hye n ASN 179 Ca 0.21 -0.92 -0.32 0.00 -0.03 0.00 0.00 54.58 53.52 3hye n ASN 179 Cb 0.73 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.74 3hye n ASN 179 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3hye s TYR 180 N 0.00 2.71 -0.28 3.10 6.14 -0.26 -4.98 117.35 123.78 3hye s TYR 180 Ca 0.00 -1.76 -0.09 0.00 0.64 0.00 0.00 57.07 55.86 3hye s TYR 180 Cb 0.00 -1.79 -0.03 0.00 0.42 0.00 0.00 41.96 40.56 3hye s TYR 180 CO 0.00 -0.79 0.14 0.34 0.64 0.00 0.00 175.55 175.88 3hye s ASP 18 N 1.30 5.56 0.48 4.32 3.68 -1.26 -4.90 116.67 125.86 3hye s ASP 18 Ca -0.01 -0.27 0.22 0.00 2.13 0.00 0.00 52.55 54.62 3hye s ASP 18 Cb -0.16 -2.01 1.23 0.00 -1.45 0.00 0.00 42.92 40.53 3hye s ASP 18 CO -0.09 -0.10 2.02 0.03 0.13 0.00 0.00 175.17 177.16 3hye h ARG 18 N 8.33 0.00 -0.51 4.34 3.08 -2.00 -2.54 114.38 125.08 3hye h ARG 18 Ca -0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.70 3hye h ARG 18 Cb 1.17 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.19 3hye h ARG 18 CO 0.59 0.17 0.32 0.87 -1.07 0.00 0.00 179.97 180.84 3hye h LYS 18 N 0.00 0.68 -2.65 0.04 1.79 -2.06 -3.35 116.57 111.02 3hye h LYS 18 Ca -0.00 -0.05 -0.60 0.00 -2.18 0.00 0.00 60.65 57.82 3hye h LYS 18 Cb 0.37 -0.15 -0.40 0.00 -1.58 0.00 0.00 32.23 30.47 3hye h LYS 18 CO 0.02 0.47 -0.81 -1.91 -1.08 0.00 0.00 179.45 176.14 3hye n GLU 18 N -4.71 0.87 -2.03 3.15 2.13 -0.97 -5.12 120.64 113.96 3hye n GLU 18 Ca 0.02 -3.72 -0.36 0.00 0.66 0.00 0.00 57.16 53.77 3hye n GLU 18 Cb 0.04 -1.92 0.03 0.00 0.27 0.00 0.00 31.44 29.85 3hye n GLU 18 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 3hye s PRO 182 N -0.59 3.09 -0.84 5.31 0.02 -1.15 -4.64 135.00 136.21 3hye s PRO 182 Ca 0.30 1.85 -0.08 0.00 0.02 0.00 0.00 61.00 63.09 3hye s PRO 182 Cb 0.01 -2.01 -0.29 0.00 0.02 0.00 0.00 34.50 32.23 3hye s PRO 182 CO -0.19 -1.11 1.97 -2.30 -0.33 0.00 0.00 177.00 175.04 3hye n PRO 183 N -1.40 0.00 0.00 5.54 -0.02 -1.26 -4.42 135.00 133.44 3hye n PRO 183 Ca 0.13 -0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 3hye n PRO 183 Cb 0.49 -1.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.96 3hye n PRO 183 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hye n ALA 184 N 5.41 1.39 -2.78 3.55 0.00 -1.26 -2.75 120.51 124.07 3hye n ALA 184 Ca 0.57 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.87 3hye n ALA 184 Cb 0.20 -0.93 -0.11 0.00 0.00 0.00 0.00 19.45 18.61 3hye n ALA 184 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3hye s THR 185 N -1.92 0.66 0.23 0.00 2.01 -1.26 -4.75 115.64 110.61 3hye s THR 185 Ca 0.00 -1.20 -0.08 0.00 0.31 0.00 0.00 61.69 60.72 3hye s THR 185 Cb 0.00 -0.79 0.20 0.00 0.01 0.00 0.00 72.50 71.92 3hye s THR 185 CO 0.00 -0.39 1.90 0.58 -0.69 0.00 0.00 174.62 176.01 3hye h VAL 186 N 4.33 1.20 0.64 3.82 2.07 -1.95 -1.06 116.25 125.30 3hye h VAL 186 Ca -0.37 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 3hye h VAL 186 Cb 1.20 -0.04 0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3hye h VAL 186 CO 0.43 0.21 -0.31 -0.08 0.02 0.00 0.00 177.57 177.84 3hye h GLU 187 N 1.15 -0.83 0.00 1.57 4.81 -1.95 -1.06 114.58 118.27 3hye h GLU 187 Ca 0.32 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.61 3hye h GLU 187 Cb -0.11 0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.46 3hye h GLU 187 CO -0.08 -0.51 0.00 1.05 -0.73 0.00 0.00 179.01 178.74 3hye h GLU 188 N -1.08 0.00 0.01 1.92 4.11 -1.90 -0.97 114.58 116.67 3hye h GLU 188 Ca -0.09 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.31 3hye h GLU 188 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 3hye h GLU 188 CO 0.14 0.00 -0.12 0.00 0.07 0.00 0.00 179.01 179.11 3hye h VAL 190 N -0.75 1.10 0.26 0.00 2.07 -0.61 -1.96 116.25 116.37 3hye h VAL 190 Ca -0.02 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 3hye h VAL 190 Cb 0.96 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3hye h VAL 190 CO 0.02 0.13 -0.13 0.50 0.02 0.00 0.00 177.57 178.11 3hye h LYS 191 N 0.70 -0.34 -0.88 1.57 3.64 -1.22 -0.64 116.57 119.39 3hye h LYS 191 Ca 0.21 0.02 0.16 0.00 -1.27 0.00 0.00 60.65 59.78 3hye h LYS 191 Cb 0.00 0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 31.83 3hye h LYS 191 CO -0.05 -0.08 0.57 1.25 -2.27 0.00 0.00 179.45 178.88 3hye h LEU 192 N -0.58 0.58 0.03 5.20 5.85 -1.09 0.16 115.31 125.46 3hye h LEU 192 Ca -0.04 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3hye h LEU 192 Cb 0.42 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.38 3hye h LEU 192 CO 0.06 0.28 -0.01 0.74 -0.34 0.00 0.00 178.44 179.16 3hye h THR 193 N 0.61 1.20 -0.49 1.05 2.02 -1.06 -1.99 112.91 114.24 3hye h THR 193 Ca 0.45 -0.72 0.01 0.00 0.77 0.00 0.00 66.41 66.92 3hye h THR 193 Cb 0.84 1.69 -0.03 0.00 -1.74 0.00 0.00 68.15 68.91 3hye h THR 193 CO -0.20 0.18 0.31 0.58 0.37 0.00 0.00 175.52 176.76 3hye h VAL 194 N -0.35 1.08 -0.36 3.16 2.07 -0.03 -2.32 116.25 119.50 3hye h VAL 194 Ca -0.00 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.37 3hye h VAL 194 Cb 0.33 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 3hye h VAL 194 CO 0.01 0.11 -0.05 0.03 0.02 0.00 0.00 177.57 177.69 3hye h ARG 195 N 0.62 0.04 -0.50 1.57 3.08 -0.66 -0.41 114.38 118.13 3hye h ARG 195 Ca 0.19 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 3hye h ARG 195 Cb -0.02 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 3hye h ARG 195 CO -0.07 0.03 0.32 0.66 -1.07 0.00 0.00 179.97 179.84 3hye h SER 196 N 0.04 0.58 0.16 7.04 4.64 -0.96 -2.34 113.55 122.72 3hye h SER 196 Ca 0.18 -0.02 -0.19 0.00 -0.47 0.00 0.00 61.79 61.29 3hye h SER 196 Cb 0.26 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3hye h SER 196 CO -0.34 0.43 -0.72 -0.07 -0.87 0.00 0.00 176.83 175.26 3hye h LEU 197 N 0.68 0.58 -2.55 5.97 3.38 -0.75 -3.05 115.31 119.55 3hye h LEU 197 Ca 0.18 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 3hye h LEU 197 Cb -0.06 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 3hye h LEU 197 CO -0.04 1.12 -0.02 -0.07 0.09 0.00 0.00 178.44 179.52 3hye h LEU 198 N 0.34 0.00 -1.32 1.67 3.38 -0.55 0.58 115.31 119.40 3hye h LEU 198 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3hye h LEU 198 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 3hye h LEU 198 CO 0.13 0.02 0.00 -0.33 0.09 0.00 0.00 178.44 178.35 3hye h GLU 199 N 0.00 0.00 0.00 1.13 4.39 -1.41 -3.31 114.58 115.37 3hye h GLU 199 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3hye h GLU 199 Cb 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 3hye h GLU 199 CO 0.00 0.00 -0.39 0.28 -1.16 0.00 0.00 179.01 177.74 3hye n VAL 200 N -2.56 0.00 0.21 3.13 0.31 0.05 -4.83 118.33 114.63 3hye n VAL 200 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.41 3hye n VAL 200 Cb 0.19 -0.14 0.42 0.00 -0.91 0.00 0.00 33.84 33.40 3hye n VAL 200 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3hye h VAL 201 N 0.00 0.74 -5.49 2.52 2.07 -0.05 -3.48 116.25 112.56 3hye h VAL 201 Ca 0.00 -1.26 -0.03 0.00 0.82 0.00 0.00 66.70 66.23 3hye h VAL 201 Cb 0.23 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 3hye h VAL 201 CO 0.00 0.29 -0.89 0.00 0.02 0.00 0.00 177.57 176.99 3hye n GLN 202 N -3.52 -2.58 -2.86 1.57 1.13 -1.25 -4.45 117.38 105.43 3hye n GLN 202 Ca -0.00 2.19 0.00 0.00 -1.94 0.00 0.00 57.00 57.25 3hye n GLN 202 Cb 0.45 -4.49 0.00 0.00 0.11 0.00 0.00 30.24 26.31 3hye n GLN 202 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3hye n THR 203 N 0.47 -1.42 -3.06 5.09 -1.04 -1.26 -4.99 114.28 108.08 3hye n THR 203 Ca 0.02 0.26 -0.17 0.00 -2.04 0.00 0.00 64.05 62.13 3hye n THR 203 Cb 0.26 -2.51 -0.04 0.00 -1.82 0.00 0.00 70.33 66.22 3hye n THR 203 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3hye n GLY 206 N 1.71 1.20 0.22 3.41 0.00 -1.26 -4.96 105.19 105.51 3hye n GLY 206 Ca 0.00 -0.63 -0.05 0.00 0.00 0.00 0.00 46.02 45.34 3hye n GLY 206 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hye h ALA 207 N 4.76 0.69 -0.03 4.61 0.00 -1.94 -0.27 119.26 127.07 3hye h ALA 207 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3hye h ALA 207 Cb 0.98 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3hye h ALA 207 CO 0.29 0.00 0.00 0.36 0.00 0.00 0.00 179.25 179.90 3hye n LYS 208 N -4.81 1.57 -0.39 0.00 -0.00 -1.26 -3.55 118.16 109.73 3hye n LYS 208 Ca 0.04 -0.83 0.08 0.00 -0.00 0.00 0.00 58.31 57.60 3hye n LYS 208 Cb 0.10 -1.47 0.26 0.00 -0.00 0.00 0.00 35.03 33.91 3hye n LYS 208 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3hye n ASN 209 N 0.01 3.82 -3.66 -5.58 3.02 -0.18 -4.80 115.26 107.89 3hye n ASN 209 Ca 0.19 -2.33 -0.24 0.00 -0.03 0.00 0.00 54.58 52.18 3hye n ASN 209 Cb 0.31 -0.43 -0.17 0.00 -0.61 0.00 0.00 39.78 38.88 3hye n ASN 209 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3hye s ILE 210 N -1.60 0.01 0.05 2.41 1.01 -0.79 -0.26 121.20 122.03 3hye s ILE 210 Ca 0.39 0.05 0.06 0.00 0.00 0.00 0.00 60.65 61.15 3hye s ILE 210 Cb 0.24 -0.45 -0.04 0.00 0.01 0.00 0.00 42.46 42.23 3hye s ILE 210 CO 0.20 -0.04 -0.11 -1.83 0.00 0.00 0.00 174.94 173.16 3hye s GLU 211 N 2.11 2.28 0.02 2.79 -1.05 -0.92 -4.95 118.70 118.97 3hye s GLU 211 Ca 0.03 -0.90 0.02 0.00 -0.15 0.00 0.00 54.97 53.98 3hye s GLU 211 Cb -0.14 -2.35 -0.01 0.00 -0.44 0.00 0.00 34.13 31.18 3hye s GLU 211 CO -0.06 0.55 -0.07 0.42 0.95 0.00 0.00 175.26 177.05 3hye s ILE 212 N -1.06 0.54 -0.04 1.83 1.01 -1.26 -2.24 121.20 119.98 3hye s ILE 212 Ca 0.18 -0.65 0.03 0.00 0.00 0.00 0.00 60.65 60.21 3hye s ILE 212 Cb -0.11 -0.53 0.01 0.00 0.01 0.00 0.00 42.46 41.84 3hye s ILE 212 CO 0.09 -0.09 -0.12 -0.89 0.00 0.00 0.00 174.94 173.93 3hye s THR 213 N -0.70 1.05 -0.18 2.92 2.01 -0.72 -1.33 115.64 118.70 3hye s THR 213 Ca -0.03 -0.48 -0.04 0.00 0.31 0.00 0.00 61.69 61.45 3hye s THR 213 Cb -0.06 -0.94 -0.02 0.00 0.01 0.00 0.00 72.50 71.49 3hye s THR 213 CO 0.00 0.32 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.53 3hye s VAL 214 N 0.32 3.70 -0.19 3.82 1.01 0.71 -1.71 120.40 128.05 3hye s VAL 214 Ca -0.07 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 3hye s VAL 214 Cb -0.12 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.62 3hye s VAL 214 CO 0.02 0.46 -0.12 0.54 0.00 0.00 0.00 175.10 176.00 3hye s VAL 215 N 0.82 2.76 0.41 2.92 0.11 -0.60 -1.52 120.40 125.30 3hye s VAL 215 Ca -0.01 -0.71 0.07 0.00 -2.93 0.00 0.00 61.98 58.41 3hye s VAL 215 Cb -0.15 -2.21 -0.05 0.00 -1.53 0.00 0.00 36.38 32.45 3hye s VAL 215 CO 0.02 0.48 0.21 -0.54 -3.33 0.00 0.00 175.10 171.94 3hye s LYS 216 N 1.29 2.28 0.97 1.54 1.02 0.20 -1.94 119.74 125.09 3hye s LYS 216 Ca 0.04 -1.79 -0.11 0.00 0.02 0.00 0.00 55.97 54.13 3hye s LYS 216 Cb -0.14 -2.05 0.15 0.00 -0.52 0.00 0.00 37.83 35.27 3hye s LYS 216 CO -0.06 -0.12 0.95 -2.30 -0.92 0.00 0.00 175.35 172.89 3hye n PRO 217 N -1.28 -0.76 -3.61 -1.68 -0.02 -1.26 -3.13 135.00 123.26 3hye n PRO 217 Ca -0.00 -0.17 -0.22 0.00 -2.02 0.00 0.00 63.50 61.09 3hye n PRO 217 Cb 0.64 -2.23 0.04 0.00 -0.02 0.00 0.00 33.50 31.94 3hye n PRO 217 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3hye n ASP 218 N -3.72 -3.00 -2.21 2.55 10.43 -1.26 -2.98 116.55 116.36 3hye n ASP 218 Ca 0.09 -0.83 -0.18 0.00 2.57 0.00 0.00 54.79 56.44 3hye n ASP 218 Cb 0.53 -4.16 -0.02 0.00 1.84 0.00 0.00 41.12 39.30 3hye n ASP 218 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 3hye n SER 219 N -3.01 -5.22 -4.39 -2.24 7.64 -1.26 -4.92 113.62 100.23 3hye n SER 219 Ca -0.22 0.14 -0.45 0.00 1.01 0.00 0.00 58.87 59.35 3hye n SER 219 Cb 0.65 -4.43 -0.03 0.00 -1.01 0.00 0.00 64.21 59.39 3hye n SER 219 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3hye s ASP 220 N -2.16 6.52 -0.05 6.43 3.68 -1.16 -4.84 116.67 125.08 3hye s ASP 220 Ca 0.00 -2.02 0.04 0.00 2.13 0.00 0.00 52.55 52.70 3hye s ASP 220 Cb 0.00 -2.32 -0.00 0.00 -1.45 0.00 0.00 42.92 39.15 3hye s ASP 220 CO 0.00 -0.95 -0.17 -0.63 0.13 0.00 0.00 175.17 173.55 3hye s ILE 221 N 2.00 1.47 -0.08 4.11 1.01 -1.26 0.58 121.20 129.03 3hye s ILE 221 Ca 0.22 -0.72 -0.15 0.00 0.00 0.00 0.00 60.65 59.99 3hye s ILE 221 Cb -0.13 -1.27 0.03 0.00 0.01 0.00 0.00 42.46 41.11 3hye s ILE 221 CO -0.04 0.42 0.37 0.54 0.00 0.00 0.00 174.94 176.24 3hye s VAL 222 N 0.16 0.03 -0.05 2.92 0.11 -0.58 -5.01 120.40 117.99 3hye s VAL 222 Ca -0.07 -0.23 -0.03 0.00 -2.93 0.00 0.00 61.98 58.72 3hye s VAL 222 Cb -0.13 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 34.07 3hye s VAL 222 CO 0.03 -0.13 0.11 0.00 -3.33 0.00 0.00 175.10 171.79 3hye s ALA 223 N -0.63 3.71 0.48 1.54 0.00 -1.26 -0.20 121.76 125.40 3hye s ALA 223 Ca -0.07 -0.78 -0.11 0.00 0.00 0.00 0.00 51.96 51.00 3hye s ALA 223 Cb -0.04 -1.74 -0.06 0.00 0.00 0.00 0.00 23.12 21.29 3hye s ALA 223 CO 0.03 0.67 0.87 -0.51 0.00 0.00 0.00 175.76 176.82 3hye s LEU 224 N -1.49 3.63 0.40 0.00 1.02 -0.44 -4.98 118.68 116.82 3hye s LEU 224 Ca 0.21 1.23 0.02 0.00 0.02 0.00 0.00 54.13 55.61 3hye s LEU 224 Cb -0.12 -4.17 -0.01 0.00 0.02 0.00 0.00 46.19 41.91 3hye s LEU 224 CO 0.11 -0.57 0.59 -0.94 0.02 0.00 0.00 176.35 175.56 3hye s SER 225 N -3.54 5.95 0.23 2.29 1.04 -1.26 -4.69 113.70 113.72 3hye s SER 225 Ca 0.53 0.18 -0.14 0.00 0.48 0.00 0.00 55.95 57.00 3hye s SER 225 Cb -0.10 -1.54 0.27 0.00 0.10 0.00 0.00 66.02 64.75 3hye s SER 225 CO 0.38 -0.55 1.59 0.28 0.98 0.00 0.00 173.24 175.93 3hye h SER 226 N 0.61 -0.88 0.47 7.02 0.02 -1.93 -1.63 113.55 117.23 3hye h SER 226 Ca -0.47 0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 60.70 3hye h SER 226 Cb 1.25 0.52 -0.01 0.00 0.14 0.00 0.00 62.40 64.30 3hye h SER 226 CO 0.57 -0.27 -0.39 -0.33 -1.14 0.00 0.00 176.83 175.26 3hye h GLU 227 N -0.04 -0.81 -0.95 3.45 3.07 -1.95 1.06 114.58 118.42 3hye h GLU 227 Ca 0.34 0.06 0.29 0.00 -0.50 0.00 0.00 59.36 59.55 3hye h GLU 227 Cb 0.57 0.18 -0.16 0.00 -0.84 0.00 0.00 28.75 28.50 3hye h GLU 227 CO -0.79 -0.54 0.27 0.93 -1.40 0.00 0.00 179.01 177.48 3hye h GLU 228 N -0.84 0.12 0.04 2.33 5.08 -1.78 0.73 114.58 120.25 3hye h GLU 228 Ca -0.06 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3hye h GLU 228 Cb 0.71 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3hye h GLU 228 CO -0.01 0.08 -0.02 0.82 -1.00 0.00 0.00 179.01 178.88 3hye h ILE 229 N 0.12 1.33 -1.04 3.13 2.04 -0.96 -3.16 117.51 118.97 3hye h ILE 229 Ca 0.65 -1.62 0.28 0.00 1.00 0.00 0.00 64.86 65.17 3hye h ILE 229 Cb 1.43 2.34 -0.07 0.00 -0.74 0.00 0.00 36.82 39.79 3hye h ILE 229 CO -0.75 0.39 0.71 -1.13 0.00 0.00 0.00 178.15 177.36 3hye h ASN 230 N -0.82 0.24 -0.46 1.72 -1.24 0.36 0.73 115.58 116.10 3hye h ASN 230 Ca -0.01 0.04 -0.11 0.00 0.71 0.00 0.00 56.30 56.94 3hye h ASN 230 Cb 0.67 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.71 3hye h ASN 230 CO 0.01 0.05 -0.11 1.56 -1.29 0.00 0.00 177.43 177.65 3hye h GLN 231 N 0.21 0.94 -0.34 6.67 4.20 0.34 -1.63 115.11 125.50 3hye h GLN 231 Ca 0.54 -0.34 -0.03 0.00 0.06 0.00 0.00 58.65 58.88 3hye h GLN 231 Cb 1.73 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 29.43 3hye h GLN 231 CO -0.15 1.00 0.08 1.88 -0.67 0.00 0.00 178.83 180.97 3hye h TYR 232 N 0.84 0.58 -0.14 2.96 -1.99 0.46 -2.28 116.97 117.40 3hye h TYR 232 Ca 0.13 -0.07 0.04 0.00 2.00 0.00 0.00 58.73 60.84 3hye h TYR 232 Cb 0.65 -0.16 -0.05 0.00 2.00 0.00 0.00 36.73 39.17 3hye h TYR 232 CO 0.04 0.59 -0.17 0.28 -0.00 0.00 0.00 178.16 178.91 3hye h VAL 233 N 0.40 0.56 -0.08 -2.88 2.07 -1.02 -1.41 116.25 113.89 3hye h VAL 233 Ca 0.11 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.67 3hye h VAL 233 Cb 0.31 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 3hye h VAL 233 CO 0.00 0.00 -0.36 0.74 0.02 0.00 0.00 177.57 177.97 3hye h THR 234 N -0.20 0.23 -0.04 2.57 2.02 -1.16 0.29 112.91 116.62 3hye h THR 234 Ca 0.10 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.29 3hye h THR 234 Cb 0.35 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 3hye h THR 234 CO -0.26 0.00 0.05 -0.61 0.37 0.00 0.00 175.52 175.07 3hye h GLN 235 N -0.47 0.00 0.24 6.66 4.15 -1.14 -2.56 115.11 122.00 3hye h GLN 235 Ca 0.08 0.00 -0.34 0.00 0.77 0.00 0.00 58.65 59.16 3hye h GLN 235 Cb 0.59 0.00 0.03 0.00 0.21 0.00 0.00 27.48 28.31 3hye h GLN 235 CO -0.34 0.00 -1.53 0.82 -1.93 0.00 0.00 178.83 175.86 3hye h ILE 236 N 0.00 1.23 0.00 2.39 2.04 0.11 -3.13 117.51 120.14 3hye h ILE 236 Ca 0.02 -2.69 -0.02 0.00 1.00 0.00 0.00 64.86 63.17 3hye h ILE 236 Cb 0.12 2.99 -0.00 0.00 -0.74 0.00 0.00 36.82 39.18 3hye h ILE 236 CO -0.00 0.82 -0.11 -0.33 0.00 0.00 0.00 178.15 178.53 3hye h GLU 237 N 0.14 0.00 -0.06 2.37 5.08 -0.70 -2.46 114.58 118.94 3hye h GLU 237 Ca -0.27 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.94 3hye h GLU 237 Cb 2.15 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.41 3hye h GLU 237 CO 0.26 0.11 -0.55 1.96 -1.00 0.00 0.00 179.01 179.78 3hye h GLN 238 N 0.00 0.49 -1.07 2.33 4.20 -1.57 -2.45 115.11 117.04 3hye h GLN 238 Ca -0.00 -0.44 0.29 0.00 0.06 0.00 0.00 58.65 58.56 3hye h GLN 238 Cb 0.35 0.10 -0.10 0.00 0.30 0.00 0.00 27.48 28.14 3hye h GLN 238 CO 0.01 1.08 0.68 0.93 -0.67 0.00 0.00 178.83 180.87 3hye h GLU 239 N 0.05 0.35 0.31 1.46 4.39 -1.38 0.52 114.58 120.29 3hye h GLU 239 Ca -0.05 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 3hye h GLU 239 Cb 1.22 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 3hye h GLU 239 CO 0.11 0.23 -0.15 0.87 -1.16 0.00 0.00 179.01 178.91 3hye h LYS 240 N 0.36 -0.41 -0.74 2.33 1.57 -1.50 -3.33 116.57 114.86 3hye h LYS 240 Ca 0.63 0.03 0.11 0.00 -1.87 0.00 0.00 60.65 59.55 3hye h LYS 240 Cb 1.63 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 33.99 3hye h LYS 240 CO -0.33 -0.27 0.49 1.96 -0.57 0.00 0.00 179.45 180.72 3hye h GLN 241 N -1.05 0.55 -1.45 3.15 4.20 -0.86 -1.22 115.11 118.43 3hye h GLN 241 Ca -0.04 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.63 3hye h GLN 241 Cb 0.32 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.98 3hye h GLN 241 CO 0.07 0.36 0.00 0.39 -0.67 0.00 0.00 178.83 178.98 3hye n GLU 242 N -4.49 0.44 0.00 1.46 1.02 0.18 -5.09 120.64 114.15 3hye n GLU 242 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 3hye n GLU 242 Cb 0.39 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.54 3hye n GLU 242 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25