#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hye n ARG 5 N 0.00 0.00 -0.33 -4.13 0.63 -1.26 0.11 116.66 111.68 3hye n ARG 5 Ca 0.00 0.00 0.29 0.00 -0.92 0.00 0.00 57.85 57.22 3hye n ARG 5 Cb 0.00 0.00 0.63 0.00 0.45 0.00 0.00 32.46 33.54 3hye n ARG 5 CO 0.00 0.00 0.00 -0.97 -2.51 0.00 0.00 177.63 174.15 3hye h ASN 6 N 0.00 0.23 0.59 6.15 -1.24 -2.07 0.40 115.58 119.64 3hye h ASN 6 Ca 0.00 0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.06 3hye h ASN 6 Cb 0.00 0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.06 3hye h ASN 6 CO 0.00 0.03 -0.17 0.59 -1.29 0.00 0.00 177.43 176.59 3hye n ASN 7 N -4.43 0.33 0.00 1.15 5.03 0.30 -4.00 115.26 113.64 3hye n ASN 7 Ca 0.26 -0.17 0.00 0.00 0.87 0.00 0.00 54.58 55.54 3hye n ASN 7 Cb 1.08 -0.12 0.00 0.00 -1.02 0.00 0.00 39.78 39.72 3hye n ASN 7 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3hye n TYR 8 N -1.25 0.00 -1.06 3.10 4.01 0.13 -4.74 117.16 117.35 3hye n TYR 8 Ca 0.10 -0.34 0.09 0.00 -0.16 0.00 0.00 57.90 57.59 3hye n TYR 8 Cb 0.31 -0.03 0.20 0.00 -0.31 0.00 0.00 39.34 39.51 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 -0.34 3.13 0.24 7.72 3.85 -0.53 -4.55 116.55 126.07 3hye n ASP 9 Ca 0.00 -3.09 0.13 0.00 -0.71 0.00 0.00 54.79 51.12 3hye n ASP 9 Cb 0.32 -0.50 0.36 0.00 -1.35 0.00 0.00 41.12 39.95 3hye n ASP 9 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 3hye h GLY 10 N 0.97 0.00 -3.58 6.12 0.00 -1.85 -3.42 103.07 101.31 3hye h GLY 10 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.45 3hye h GLY 10 CO 0.13 0.00 0.52 0.51 0.00 0.00 0.00 176.54 177.70 3hye s ASP 11 N -6.04 -0.35 0.31 0.19 1.47 -1.26 -5.04 116.67 105.94 3hye s ASP 11 Ca 0.04 0.08 0.24 0.00 1.18 0.00 0.00 52.55 54.09 3hye s ASP 11 Cb 0.07 0.35 1.12 0.00 -0.34 0.00 0.00 42.92 44.12 3hye s ASP 11 CO 0.63 -0.54 1.72 0.74 0.68 0.00 0.00 175.17 178.39 3hye h THR 12 N 2.11 0.00 -0.21 2.11 2.02 -1.87 -2.86 112.91 114.21 3hye h THR 12 Ca -0.21 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 66.84 3hye h THR 12 Cb 1.22 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 3hye h THR 12 CO 0.30 0.00 0.00 0.55 0.37 0.00 0.00 175.52 176.74 3hye n VAL 13 N -2.30 0.28 -4.82 3.16 3.14 -1.26 -4.58 118.33 111.95 3hye n VAL 13 Ca 0.00 -0.29 -0.32 0.00 -2.96 0.00 0.00 64.34 60.77 3hye n VAL 13 Cb 0.14 0.15 -0.16 0.00 -1.06 0.00 0.00 33.84 32.90 3hye n VAL 13 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 3hye s THR 14 N -1.72 2.14 0.15 1.55 2.01 -1.08 -5.05 115.64 113.64 3hye s THR 14 Ca 0.16 -0.97 -0.18 0.00 0.31 0.00 0.00 61.69 61.01 3hye s THR 14 Cb 0.08 -1.85 -0.07 0.00 0.01 0.00 0.00 72.50 70.67 3hye s THR 14 CO 0.11 0.55 0.63 -0.36 -0.69 0.00 0.00 174.62 174.86 3hye s PHE 15 N 0.66 3.71 0.70 4.92 0.08 -1.26 -4.65 117.98 122.15 3hye s PHE 15 Ca -0.10 1.28 -0.08 0.00 0.12 0.00 0.00 56.93 58.14 3hye s PHE 15 Cb -0.16 -2.52 0.05 0.00 -0.57 0.00 0.00 43.02 39.82 3hye s PHE 15 CO 0.02 0.46 1.03 -1.54 -0.10 0.00 0.00 175.22 175.08 3hye s SER 16 N -1.46 4.93 0.65 1.36 1.04 0.00 -4.91 113.70 115.32 3hye s SER 16 Ca 0.36 0.60 0.40 0.00 0.48 0.00 0.00 55.95 57.79 3hye s SER 16 Cb -0.18 -1.29 2.21 0.00 0.10 0.00 0.00 66.02 66.86 3hye s SER 16 CO 0.20 -1.55 2.30 -0.65 0.98 0.00 0.00 173.24 174.53 3hye h PRO 17 N -0.61 0.00 -0.14 4.02 0.11 -1.98 -0.85 132.00 132.55 3hye h PRO 17 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3hye h PRO 17 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3hye h PRO 17 CO 0.62 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.66 3hye n THR 18 N -3.28 0.16 -0.69 -1.15 -2.24 -1.26 -4.93 114.28 100.89 3hye n THR 18 Ca -0.03 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 3hye n THR 18 Cb 0.11 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 3hye n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hye n GLY 19 N 1.28 0.77 3.96 3.38 0.00 -0.32 -5.08 105.19 109.18 3hye n GLY 19 Ca 0.17 -0.58 -0.23 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.48 3.44 -0.51 1.61 0.52 -1.26 -4.80 118.95 116.47 3hye s ARG 20 Ca 0.00 -0.69 0.04 0.00 -0.52 0.00 0.00 55.73 54.56 3hye s ARG 20 Cb 0.00 -2.91 0.13 0.00 0.52 0.00 0.00 34.95 32.69 3hye s ARG 20 CO 0.00 0.46 0.26 -0.51 0.02 0.00 0.00 175.30 175.53 3hye s LEU 21 N -3.71 4.07 0.21 2.53 1.43 -1.26 -0.82 118.68 121.14 3hye s LEU 21 Ca 0.34 -2.98 -0.09 0.00 -1.03 0.00 0.00 54.13 50.37 3hye s LEU 21 Cb -0.10 -1.55 0.23 0.00 0.03 0.00 0.00 46.19 44.81 3hye s LEU 21 CO 0.29 -0.23 1.81 -0.26 0.23 0.00 0.00 176.35 178.18 3hye h PHE 22 N 6.51 0.68 -0.84 0.29 0.04 -1.82 -1.76 116.94 120.03 3hye h PHE 22 Ca -0.07 0.02 0.11 0.00 2.80 0.00 0.00 57.97 60.84 3hye h PHE 22 Cb 0.89 -0.21 -0.06 0.00 2.20 0.00 0.00 35.95 38.77 3hye h PHE 22 CO 0.52 0.33 0.55 1.96 -0.60 0.00 0.00 178.31 181.06 3hye h GLN 23 N 0.68 0.74 -0.34 1.51 1.08 -1.85 0.47 115.11 117.41 3hye h GLN 23 Ca 0.30 -0.04 -0.08 0.00 -1.45 0.00 0.00 58.65 57.37 3hye h GLN 23 Cb 0.18 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 3hye h GLN 23 CO -0.18 0.49 -0.11 0.28 -0.95 0.00 0.00 178.83 178.37 3hye h VAL 24 N 0.77 1.28 -0.50 -0.54 2.07 -1.74 -1.74 116.25 115.85 3hye h VAL 24 Ca 0.40 -1.19 -0.06 0.00 0.82 0.00 0.00 66.70 66.67 3hye h VAL 24 Cb 0.50 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 3hye h VAL 24 CO -0.17 0.39 0.07 -0.33 0.02 0.00 0.00 177.57 177.55 3hye h GLU 25 N 0.46 0.79 -0.16 1.57 5.08 -0.25 -0.73 114.58 121.33 3hye h GLU 25 Ca 0.08 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 3hye h GLU 25 Cb 0.62 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3hye h GLU 25 CO 0.04 0.75 -0.32 1.88 -1.00 0.00 0.00 179.01 180.36 3hye h TYR 26 N 0.75 0.37 -0.38 4.33 -1.99 -0.03 -1.84 116.97 118.19 3hye h TYR 26 Ca 0.16 -0.08 -0.07 0.00 2.00 0.00 0.00 58.73 60.74 3hye h TYR 26 Cb 0.35 -0.09 -0.01 0.00 2.00 0.00 0.00 36.73 38.98 3hye h TYR 26 CO 0.02 0.61 -0.02 0.00 -0.00 0.00 0.00 178.16 178.77 3hye h ALA 27 N 1.39 0.52 -0.16 3.88 0.00 -0.62 -2.11 119.26 122.15 3hye h ALA 27 Ca 0.04 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.72 3hye h ALA 27 Cb 0.70 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3hye h ALA 27 CO 0.05 0.31 0.12 -0.07 0.00 0.00 0.00 179.25 179.67 3hye h LEU 28 N 0.51 0.00 -1.07 0.00 4.07 -0.64 -0.53 115.31 117.64 3hye h LEU 28 Ca 0.11 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.97 3hye h LEU 28 Cb 0.51 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.23 3hye h LEU 28 CO 0.02 0.00 -0.44 -0.08 -1.08 0.00 0.00 178.44 176.86 3hye h GLU 29 N 0.00 0.05 0.00 1.13 4.57 -0.64 -2.47 114.58 117.22 3hye h GLU 29 Ca 0.08 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.19 3hye h GLU 29 Cb 0.32 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 3hye h GLU 29 CO -0.00 0.48 -0.20 0.00 -1.18 0.00 0.00 179.01 178.11 3hye h ALA 30 N 1.52 1.50 -0.05 2.92 0.00 -0.97 -2.50 119.26 121.68 3hye h ALA 30 Ca -0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3hye h ALA 30 Cb 0.80 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 3hye h ALA 30 CO 0.06 0.25 -0.06 0.82 0.00 0.00 0.00 179.25 180.32 3hye h ILE 31 N 0.00 1.40 -0.55 0.00 2.04 -1.47 -2.97 117.51 115.96 3hye h ILE 31 Ca -0.00 -1.29 0.11 0.00 1.00 0.00 0.00 64.86 64.68 3hye h ILE 31 Cb 0.40 2.15 -0.03 0.00 -0.74 0.00 0.00 36.82 38.60 3hye h ILE 31 CO 0.03 0.35 0.38 0.11 0.00 0.00 0.00 178.15 179.01 3hye h LYS 32 N -0.35 0.27 0.00 2.37 6.56 -1.37 0.46 116.57 124.52 3hye h LYS 32 Ca 0.01 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 3hye h LYS 32 Cb 0.60 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.20 3hye h LYS 32 CO 0.02 0.18 0.00 0.94 -2.06 0.00 0.00 179.45 178.52 3hye n GLN 33 N -4.45 0.46 -2.67 3.15 7.27 -0.97 -2.12 117.38 118.05 3hye n GLN 33 Ca 0.09 0.01 -0.31 0.00 0.07 0.00 0.00 57.00 56.86 3hye n GLN 33 Cb 0.43 -1.50 -0.03 0.00 2.41 0.00 0.00 30.24 31.54 3hye n GLN 33 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 3hye s GLY 34 N -2.53 2.01 0.55 1.69 0.00 0.16 -4.80 107.32 104.41 3hye s GLY 34 Ca 0.29 -0.02 -0.21 0.00 0.00 0.00 0.00 44.72 44.78 3hye s GLY 34 CO 0.45 0.21 1.36 -0.45 0.00 0.00 0.00 173.10 174.66 3hye s SER 35 N -3.08 5.22 0.54 1.64 0.15 -1.26 0.58 113.70 117.49 3hye s SER 35 Ca 0.55 2.76 -0.20 0.00 0.70 0.00 0.00 55.95 59.76 3hye s SER 35 Cb -0.10 -2.63 -0.06 0.00 -1.71 0.00 0.00 66.02 61.52 3hye s SER 35 CO 0.31 -1.60 1.15 0.54 1.20 0.00 0.00 173.24 174.84 3hye s VAL 36 N -1.31 3.04 -0.04 4.45 0.11 -1.26 -4.49 120.40 120.91 3hye s VAL 36 Ca 0.72 0.66 -0.14 0.00 -2.93 0.00 0.00 61.98 60.30 3hye s VAL 36 Cb -0.40 -3.28 0.02 0.00 -1.53 0.00 0.00 36.38 31.19 3hye s VAL 36 CO 0.47 -0.13 0.31 0.28 -3.33 0.00 0.00 175.10 172.70 3hye s THR 37 N -1.71 0.05 0.12 5.04 -1.32 -0.62 -1.52 115.64 115.68 3hye s THR 37 Ca 0.73 -0.38 0.07 0.00 -1.21 0.00 0.00 61.69 60.90 3hye s THR 37 Cb -0.26 -0.57 -0.04 0.00 -1.51 0.00 0.00 72.50 70.13 3hye s THR 37 CO 0.29 -0.21 -0.17 -0.69 -2.21 0.00 0.00 174.62 171.64 3hye s VAL 38 N -0.98 1.51 -0.04 5.08 1.01 0.41 -2.00 120.40 125.39 3hye s VAL 38 Ca -0.11 -1.68 -0.03 0.00 0.00 0.00 0.00 61.98 60.16 3hye s VAL 38 Cb -0.05 -1.56 0.02 0.00 0.00 0.00 0.00 36.38 34.79 3hye s VAL 38 CO 0.03 -0.29 0.10 -0.83 0.00 0.00 0.00 175.10 174.12 3hye s GLY 39 N -2.30 -0.05 0.02 4.51 0.00 -0.01 -0.38 107.32 109.11 3hye s GLY 39 Ca 0.09 0.38 -0.24 0.00 0.00 0.00 0.00 44.72 44.95 3hye s GLY 39 CO 0.04 0.47 0.54 0.48 0.00 0.00 0.00 173.10 174.64 3hye s LEU 40 N 0.43 -0.15 0.06 0.66 2.34 -0.78 0.07 118.68 121.31 3hye s LEU 40 Ca -0.03 0.31 -0.05 0.00 0.06 0.00 0.00 54.13 54.42 3hye s LEU 40 Cb -0.05 2.16 -0.02 0.00 -0.56 0.00 0.00 46.19 47.72 3hye s LEU 40 CO -0.02 -0.66 0.08 0.00 -1.06 0.00 0.00 176.35 174.68 3hye s ARG 41 N -2.01 0.66 0.00 1.48 1.70 -0.01 0.28 118.95 121.05 3hye s ARG 41 Ca -0.08 -0.97 0.00 0.00 -0.47 0.00 0.00 55.73 54.22 3hye s ARG 41 Cb -0.01 0.25 0.00 0.00 -0.57 0.00 0.00 34.95 34.62 3hye s ARG 41 CO 0.02 -0.17 0.00 -1.13 -1.08 0.00 0.00 175.30 172.94 3hye n SER 42 N 0.33 0.00 -0.08 -2.89 3.41 -0.15 -4.40 113.62 109.84 3hye n SER 42 Ca -0.16 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.50 3hye n SER 42 Cb 0.60 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.51 3hye n SER 42 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3hye n ASN 43 N 0.00 0.76 -0.02 4.04 3.02 -1.26 -4.58 115.26 117.22 3hye n ASN 43 Ca 0.00 -0.88 -0.01 0.00 -0.03 0.00 0.00 54.58 53.66 3hye n ASN 43 Cb 0.00 0.85 -0.05 0.00 -0.61 0.00 0.00 39.78 39.97 3hye n ASN 43 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3hye n THR 44 N -0.97 0.30 -4.28 3.41 -2.24 -1.26 -4.21 114.28 105.02 3hye n THR 44 Ca 0.03 -0.23 -0.16 0.00 -2.27 0.00 0.00 64.05 61.42 3hye n THR 44 Cb 0.20 -0.48 -0.10 0.00 -2.10 0.00 0.00 70.33 67.84 3hye n THR 44 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3hye s HIS 45 N -2.25 1.43 -0.04 4.78 3.76 -1.26 -1.51 115.29 120.20 3hye s HIS 45 Ca -0.03 -1.30 -0.03 0.00 -0.15 0.00 0.00 55.06 53.55 3hye s HIS 45 Cb 0.03 -0.77 0.02 0.00 1.11 0.00 0.00 32.58 32.96 3hye s HIS 45 CO 0.27 -0.49 0.10 0.00 -0.85 0.00 0.00 174.74 173.77 3hye s ALA 46 N -3.85 -0.21 0.04 -1.40 0.00 -0.59 -0.98 121.76 114.78 3hye s ALA 46 Ca 0.38 0.41 0.06 0.00 0.00 0.00 0.00 51.96 52.81 3hye s ALA 46 Cb 0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 3hye s ALA 46 CO 0.14 -0.09 -0.18 0.08 0.00 0.00 0.00 175.76 175.72 3hye s VAL 47 N 0.55 1.41 -0.11 0.00 1.01 0.14 -2.20 120.40 121.20 3hye s VAL 47 Ca -0.04 -1.07 0.03 0.00 0.00 0.00 0.00 61.98 60.90 3hye s VAL 47 Cb -0.06 -1.24 0.01 0.00 0.00 0.00 0.00 36.38 35.09 3hye s VAL 47 CO -0.02 0.14 -0.21 -0.76 0.00 0.00 0.00 175.10 174.24 3hye s LEU 48 N -1.09 2.02 -0.13 3.92 1.43 0.77 -1.86 118.68 123.74 3hye s LEU 48 Ca 0.05 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 52.62 3hye s LEU 48 Cb -0.08 -1.34 0.02 0.00 0.03 0.00 0.00 46.19 44.82 3hye s LEU 48 CO 0.01 0.10 -0.13 -0.69 0.23 0.00 0.00 176.35 175.87 3hye s VAL 49 N 0.62 1.44 -0.01 -1.59 1.01 0.49 -0.67 120.40 121.70 3hye s VAL 49 Ca -0.13 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.31 3hye s VAL 49 Cb -0.17 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.85 3hye s VAL 49 CO 0.03 0.43 -0.11 0.00 0.00 0.00 0.00 175.10 175.46 3hye s ALA 50 N 1.32 0.94 -0.44 5.51 0.00 0.53 0.16 121.76 129.77 3hye s ALA 50 Ca 0.00 -0.47 -0.23 0.00 0.00 0.00 0.00 51.96 51.26 3hye s ALA 50 Cb -0.14 -0.25 0.02 0.00 0.00 0.00 0.00 23.12 22.75 3hye s ALA 50 CO -0.07 0.22 0.78 -1.17 0.00 0.00 0.00 175.76 175.52 3hye s LEU 51 N -0.20 4.26 0.09 0.00 2.96 -0.58 -1.90 118.68 123.32 3hye s LEU 51 Ca 0.03 -0.09 -0.30 0.00 -0.22 0.00 0.00 54.13 53.55 3hye s LEU 51 Cb -0.05 -2.95 -0.05 0.00 0.50 0.00 0.00 46.19 43.63 3hye s LEU 51 CO -0.00 -0.90 0.98 -0.54 -1.32 0.00 0.00 176.35 174.58 3hye s LYS 52 N 3.25 4.65 -0.07 1.98 1.02 -0.58 -4.53 119.74 125.46 3hye s LYS 52 Ca 0.29 1.48 -0.04 0.00 0.02 0.00 0.00 55.97 57.72 3hye s LYS 52 Cb -0.12 -3.39 -0.04 0.00 -0.52 0.00 0.00 37.83 33.76 3hye s LYS 52 CO 0.22 0.13 0.13 0.50 -0.92 0.00 0.00 175.35 175.42 3hye s ARG 53 N 0.22 3.35 0.16 1.68 3.52 -1.26 -4.85 118.95 121.77 3hye s ARG 53 Ca 0.49 -0.26 0.09 0.00 -0.13 0.00 0.00 55.73 55.92 3hye s ARG 53 Cb -0.24 -3.08 -0.04 0.00 -1.56 0.00 0.00 34.95 30.03 3hye s ARG 53 CO 0.30 0.72 -0.14 0.54 -0.81 0.00 0.00 175.30 175.91 3hye s ASN 54 N -1.39 4.02 0.00 -2.12 4.22 -1.26 -1.76 114.94 116.65 3hye s ASN 54 Ca 0.20 -0.61 0.00 0.00 -2.14 0.00 0.00 52.86 50.30 3hye s ASN 54 Cb -0.12 -0.60 0.00 0.00 1.28 0.00 0.00 41.25 41.81 3hye s ASN 54 CO 0.10 0.13 0.12 0.00 -2.04 0.00 0.00 177.10 175.41 3hye n ALA 55 N 0.31 -0.06 -3.94 3.54 0.00 -1.26 -4.98 120.51 114.13 3hye n ALA 55 Ca -0.12 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.06 3hye n ALA 55 Cb 0.55 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.99 3hye n ALA 55 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hye n ASP 56 N -1.88 2.62 -0.55 0.00 9.92 -1.26 -4.98 116.55 120.43 3hye n ASP 56 Ca 0.00 -2.69 0.09 0.00 -0.53 0.00 0.00 54.79 51.66 3hye n ASP 56 Cb 0.00 0.01 0.33 0.00 -0.64 0.00 0.00 41.12 40.82 3hye n ASP 56 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3hye n GLU 57 N -1.57 1.71 0.00 -1.24 4.71 -1.26 -2.62 120.64 120.38 3hye n GLU 57 Ca -0.04 -1.08 0.06 0.00 -0.01 0.00 0.00 57.16 56.09 3hye n GLU 57 Cb 0.55 -1.36 -0.00 0.00 -1.01 0.00 0.00 31.44 29.62 3hye n GLU 57 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3hye n LEU 58 N 0.31 1.33 -5.00 -4.62 4.32 -1.26 -5.01 117.00 107.08 3hye n LEU 58 Ca 0.15 -0.76 -0.18 0.00 -0.02 0.00 0.00 56.01 55.20 3hye n LEU 58 Cb 0.31 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 42.12 3hye n LEU 58 CO 0.12 0.26 0.17 -0.94 -1.22 0.00 0.00 177.39 175.78 3hye s SER 59 N -1.54 5.48 0.50 -1.43 1.04 -1.08 -5.12 113.70 111.55 3hye s SER 59 Ca 0.10 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 55.99 3hye s SER 59 Cb 0.10 -0.45 0.01 0.00 0.10 0.00 0.00 66.02 65.77 3hye s SER 59 CO 0.31 -0.87 0.72 -0.94 0.98 0.00 0.00 173.24 173.44 3hye s SER 60 N -4.39 5.63 -0.47 7.02 1.04 -1.26 -4.81 113.70 116.47 3hye s SER 60 Ca 0.55 0.23 -0.17 0.00 0.48 0.00 0.00 55.95 57.04 3hye s SER 60 Cb -0.08 -1.34 0.05 0.00 0.10 0.00 0.00 66.02 64.75 3hye s SER 60 CO 0.33 -0.88 0.49 -0.31 0.98 0.00 0.00 173.24 173.86 3hye s TYR 63 N -2.66 3.15 0.00 5.02 1.51 -1.26 -4.06 117.35 119.05 3hye s TYR 63 Ca 0.52 -0.59 -0.37 0.00 -1.01 0.00 0.00 57.07 55.62 3hye s TYR 63 Cb -0.10 -3.19 -0.16 0.00 -0.11 0.00 0.00 41.96 38.40 3hye s TYR 63 CO 0.39 -0.84 1.50 0.94 -1.11 0.00 0.00 175.55 176.42 3hye n GLN 64 N 5.68 1.36 -1.76 -0.62 7.27 -0.72 -4.79 117.38 123.80 3hye n GLN 64 Ca -0.08 0.49 -0.42 0.00 0.07 0.00 0.00 57.00 57.06 3hye n GLN 64 Cb 0.46 -2.17 -0.01 0.00 2.41 0.00 0.00 30.24 30.92 3hye n GLN 64 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 3hye n LYS 65 N 3.55 2.62 0.00 3.69 2.85 -1.26 -4.37 118.16 125.24 3hye n LYS 65 Ca 0.20 0.92 0.00 0.00 -1.05 0.00 0.00 58.31 58.39 3hye n LYS 65 Cb 0.20 -2.66 0.00 0.00 -0.65 0.00 0.00 35.03 31.92 3hye n LYS 65 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3hye n LYS 66 N 1.08 -0.11 -5.05 -1.58 4.76 -1.26 -5.00 118.16 111.00 3hye n LYS 66 Ca 0.04 -0.65 -0.32 0.00 -2.87 0.00 0.00 58.31 54.52 3hye n LYS 66 Cb 0.38 -0.94 -0.17 0.00 -1.84 0.00 0.00 35.03 32.46 3hye n LYS 66 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3hye s ILE 67 N -0.19 1.99 -0.07 -0.18 1.01 -1.26 -1.02 121.20 121.47 3hye s ILE 67 Ca 0.00 -0.97 0.04 0.00 0.00 0.00 0.00 60.65 59.72 3hye s ILE 67 Cb 0.00 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.74 3hye s ILE 67 CO 0.00 0.54 -0.18 -0.63 0.00 0.00 0.00 174.94 174.67 3hye s ILE 68 N 0.47 1.56 -0.09 2.92 1.01 -0.10 -4.98 121.20 121.99 3hye s ILE 68 Ca -0.16 -0.75 -0.22 0.00 0.00 0.00 0.00 60.65 59.52 3hye s ILE 68 Cb -0.17 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 40.89 3hye s ILE 68 CO 0.06 0.45 0.64 -0.75 0.00 0.00 0.00 174.94 175.34 3hye s LYS 69 N 0.33 4.40 -0.10 2.79 2.20 -1.26 -0.80 119.74 127.29 3hye s LYS 69 Ca -0.12 0.76 0.18 0.00 -0.36 0.00 0.00 55.97 56.42 3hye s LYS 69 Cb -0.15 -3.46 -0.27 0.00 -1.51 0.00 0.00 37.83 32.45 3hye s LYS 69 CO 0.05 0.06 0.26 0.00 -0.36 0.00 0.00 175.35 175.36 3hye s ASP 71 N -4.70 0.02 0.41 0.00 3.68 -0.85 -4.41 116.67 110.82 3hye s ASP 71 Ca -0.08 -0.76 0.29 0.00 2.13 0.00 0.00 52.55 54.13 3hye s ASP 71 Cb 0.09 0.55 1.33 0.00 -1.45 0.00 0.00 42.92 43.44 3hye s ASP 71 CO 0.78 -1.09 1.88 -0.33 0.13 0.00 0.00 175.17 176.53 3hye h GLU 72 N 2.00 0.00 0.00 4.34 4.39 -1.97 -2.98 114.58 120.36 3hye h GLU 72 Ca -0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.42 3hye h GLU 72 Cb 1.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 3hye h GLU 72 CO 0.37 0.00 -0.01 -2.39 -1.16 0.00 0.00 179.01 175.82 3hye n HIS 73 N -2.61 0.00 -3.67 4.33 1.44 -1.26 -0.99 115.22 112.46 3hye n HIS 73 Ca 0.00 -0.56 -0.15 0.00 -2.01 0.00 0.00 57.72 55.00 3hye n HIS 73 Cb 0.20 -0.07 -0.08 0.00 0.12 0.00 0.00 29.99 30.16 3hye n HIS 73 CO 0.00 0.00 0.00 1.41 -2.81 0.00 0.00 176.34 174.94 3hye s MET 74 N -1.32 0.80 0.13 -1.40 -2.45 -1.13 -2.02 119.30 111.92 3hye s MET 74 Ca 0.07 0.05 -0.25 0.00 -1.25 0.00 0.00 55.69 54.32 3hye s MET 74 Cb 0.06 0.37 0.08 0.00 1.25 0.00 0.00 34.83 36.59 3hye s MET 74 CO 0.01 -0.23 1.06 0.20 1.05 0.00 0.00 175.02 177.11 3hye s GLY 75 N -1.14 -0.08 0.23 2.11 0.00 -0.89 -1.08 107.32 106.46 3hye s GLY 75 Ca -0.12 -0.03 -0.14 0.00 0.00 0.00 0.00 44.72 44.43 3hye s GLY 75 CO 0.06 1.58 0.48 0.48 0.00 0.00 0.00 173.10 175.71 3hye s LEU 76 N -3.23 0.30 0.06 0.66 2.34 0.02 -1.55 118.68 117.26 3hye s LEU 76 Ca 0.18 -0.80 0.09 0.00 0.06 0.00 0.00 54.13 53.66 3hye s LEU 76 Cb -0.01 1.85 -0.03 0.00 -0.56 0.00 0.00 46.19 47.44 3hye s LEU 76 CO 0.03 -1.11 -0.26 -0.94 -1.06 0.00 0.00 176.35 173.01 3hye s SER 77 N -2.97 3.12 0.22 1.48 1.04 0.10 -0.93 113.70 115.77 3hye s SER 77 Ca 0.18 -0.60 0.10 0.00 0.48 0.00 0.00 55.95 56.11 3hye s SER 77 Cb -0.01 -0.27 -0.04 0.00 0.10 0.00 0.00 66.02 65.80 3hye s SER 77 CO 0.05 0.24 -0.11 -1.48 0.98 0.00 0.00 173.24 172.93 3hye s LEU 78 N -1.33 2.90 -0.25 2.42 0.05 -0.19 -0.76 118.68 121.52 3hye s LEU 78 Ca 0.12 -0.70 -0.02 0.00 0.05 0.00 0.00 54.13 53.57 3hye s LEU 78 Cb -0.10 -1.52 0.14 0.00 -2.05 0.00 0.00 46.19 42.66 3hye s LEU 78 CO 0.02 0.07 0.38 0.00 -0.55 0.00 0.00 176.35 176.27 3hye s ALA 79 N -1.99 -1.07 0.00 1.48 0.00 -0.52 -4.90 121.76 114.75 3hye s ALA 79 Ca 0.27 0.72 0.00 0.00 0.00 0.00 0.00 51.96 52.95 3hye s ALA 79 Cb -0.07 -1.75 0.00 0.00 0.00 0.00 0.00 23.12 21.29 3hye s ALA 79 CO 0.16 -1.37 0.00 0.41 0.00 0.00 0.00 175.76 174.95 3hye n GLY 80 N 5.36 0.30 3.62 0.00 0.00 -1.26 -0.81 105.19 112.41 3hye n GLY 80 Ca -0.03 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.08 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 3.76 0.18 0.99 1.43 0.60 -4.89 118.68 120.75 3hye s LEU 81 Ca 0.00 1.51 -0.13 0.00 -1.03 0.00 0.00 54.13 54.48 3hye s LEU 81 Cb 0.00 -3.53 0.11 0.00 0.03 0.00 0.00 46.19 42.80 3hye s LEU 81 CO 0.00 -1.41 1.83 0.00 0.23 0.00 0.00 176.35 177.00 3hye h ALA 82 N 11.44 0.72 -0.98 4.21 0.00 -1.96 -2.52 119.26 130.17 3hye h ALA 82 Ca -0.34 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.65 3hye h ALA 82 Cb 1.16 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.69 3hye h ALA 82 CO 1.01 0.09 0.63 -1.35 0.00 0.00 0.00 179.25 179.63 3hye h PRO 83 N 0.70 1.01 0.00 0.00 0.11 -1.99 -0.02 132.00 131.80 3hye h PRO 83 Ca 0.22 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.20 3hye h PRO 83 Cb -0.01 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 30.86 3hye h PRO 83 CO -0.08 0.67 -0.33 -0.44 -0.21 0.00 0.00 178.00 177.61 3hye h ASP 84 N 1.04 0.00 -0.23 -2.05 3.45 -1.84 -1.39 116.42 115.40 3hye h ASP 84 Ca 0.46 0.00 -0.18 0.00 0.43 0.00 0.00 57.03 57.74 3hye h ASP 84 Cb 0.37 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.13 3hye h ASP 84 CO -0.22 0.33 -0.54 0.00 -1.57 0.00 0.00 179.24 177.24 3hye h ALA 85 N 1.67 0.52 -0.36 3.45 0.00 -0.78 -1.75 119.26 122.02 3hye h ALA 85 Ca -0.00 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 3hye h ALA 85 Cb 0.59 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3hye h ALA 85 CO 0.04 0.68 0.21 -0.09 0.00 0.00 0.00 179.25 180.10 3hye h ARG 86 N 0.63 0.49 0.07 0.00 2.43 -0.59 0.18 114.38 117.59 3hye h ARG 86 Ca 0.02 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3hye h ARG 86 Cb 1.13 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 3hye h ARG 86 CO 0.12 0.38 -0.03 0.28 -1.51 0.00 0.00 179.97 179.21 3hye h VAL 87 N 0.47 0.99 -0.66 0.20 2.07 -1.19 0.09 116.25 118.22 3hye h VAL 87 Ca 0.13 -0.18 -0.08 0.00 0.82 0.00 0.00 66.70 67.38 3hye h VAL 87 Cb 0.02 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3hye h VAL 87 CO -0.02 0.05 0.09 -0.07 0.02 0.00 0.00 177.57 177.63 3hye h LEU 88 N -0.17 1.07 -0.72 2.57 3.38 -1.20 -1.81 115.31 118.43 3hye h LEU 88 Ca -0.01 -0.27 -0.13 0.00 0.09 0.00 0.00 57.88 57.56 3hye h LEU 88 Cb 0.14 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3hye h LEU 88 CO 0.01 1.07 -0.50 0.77 0.09 0.00 0.00 178.44 179.88 3hye h SER 89 N 1.03 0.38 -0.03 -0.43 4.64 -0.59 -1.52 113.55 117.04 3hye h SER 89 Ca 0.20 -0.19 -0.11 0.00 -0.47 0.00 0.00 61.79 61.22 3hye h SER 89 Cb 0.47 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 3hye h SER 89 CO 0.02 0.82 -0.31 -1.13 -0.87 0.00 0.00 176.83 175.36 3hye h ASN 90 N 0.28 0.50 -0.21 4.97 -0.73 -0.73 0.13 115.58 119.78 3hye h ASN 90 Ca 0.01 -0.19 -0.12 0.00 1.87 0.00 0.00 56.30 57.88 3hye h ASN 90 Cb 0.98 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 39.42 3hye h ASN 90 CO 0.08 0.78 -0.26 0.22 -0.37 0.00 0.00 177.43 177.88 3hye h TYR 91 N 0.42 0.79 -0.24 0.67 5.03 -1.03 -2.29 116.97 120.31 3hye h TYR 91 Ca 0.05 -0.19 -0.13 0.00 2.58 0.00 0.00 58.73 61.04 3hye h TYR 91 Cb 0.75 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 38.83 3hye h TYR 91 CO 0.03 0.88 -0.40 1.25 -1.32 0.00 0.00 178.16 178.60 3hye h LEU 92 N 0.60 0.60 -0.77 2.82 5.85 -0.70 -1.16 115.31 122.55 3hye h LEU 92 Ca 0.08 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.50 3hye h LEU 92 Cb 0.76 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 3hye h LEU 92 CO 0.06 0.93 0.34 0.03 -0.34 0.00 0.00 178.44 179.47 3hye h ARG 93 N 0.47 1.13 -0.12 1.25 3.08 -0.46 -0.97 114.38 118.77 3hye h ARG 93 Ca 0.04 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 3hye h ARG 93 Cb 0.90 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.75 3hye h ARG 93 CO 0.08 0.90 -0.04 1.96 -1.07 0.00 0.00 179.97 181.80 3hye h GLN 94 N 1.10 0.24 -0.81 0.04 4.20 -1.19 -0.83 115.11 117.86 3hye h GLN 94 Ca 0.26 -0.10 0.05 0.00 0.06 0.00 0.00 58.65 58.93 3hye h GLN 94 Cb 0.16 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 27.88 3hye h GLN 94 CO -0.03 0.56 0.50 1.96 -0.67 0.00 0.00 178.83 181.15 3hye h GLN 95 N -0.09 0.90 -0.17 1.46 1.08 -1.05 0.64 115.11 117.87 3hye h GLN 95 Ca 0.03 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 3hye h GLN 95 Cb 0.48 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 3hye h GLN 95 CO 0.01 0.59 0.07 0.00 -0.95 0.00 0.00 178.83 178.56 3hye h ASN 97 N 0.13 0.60 -0.07 0.00 -0.00 -0.22 -2.08 115.58 113.94 3hye h ASN 97 Ca 0.06 0.01 0.00 0.00 -0.00 0.00 0.00 56.30 56.37 3hye h ASN 97 Cb 0.15 -0.12 -0.00 0.00 -0.00 0.00 0.00 38.32 38.35 3hye h ASN 97 CO -0.01 0.41 0.04 0.22 -0.00 0.00 0.00 177.43 178.10 3hye h TYR 98 N 0.73 0.09 -0.92 0.67 3.20 0.44 -0.86 116.97 120.33 3hye h TYR 98 Ca 0.26 0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.28 3hye h TYR 98 Cb 0.07 -0.03 -0.09 0.00 1.54 0.00 0.00 36.73 38.22 3hye h TYR 98 CO -0.06 0.08 0.53 1.03 -1.64 0.00 0.00 178.16 178.10 3hye h SER 99 N 0.07 0.70 0.17 -2.11 0.87 -0.94 -0.42 113.55 111.89 3hye h SER 99 Ca 0.03 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 3hye h SER 99 Cb 0.02 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 3hye h SER 99 CO -0.01 0.32 -0.08 0.28 -0.53 0.00 0.00 176.83 176.82 3hye h SER 100 N 0.77 -0.20 -0.40 6.23 0.02 -0.91 -2.05 113.55 117.01 3hye h SER 100 Ca 0.49 -0.32 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3hye h SER 100 Cb 0.62 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.19 3hye h SER 100 CO -0.33 0.26 0.24 -0.07 -1.14 0.00 0.00 176.83 175.79 3hye h LEU 101 N -0.71 0.49 0.15 5.07 3.38 -0.88 0.28 115.31 123.09 3hye h LEU 101 Ca -0.02 -0.06 -0.24 0.00 0.09 0.00 0.00 57.88 57.64 3hye h LEU 101 Cb 0.50 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.14 3hye h LEU 101 CO 0.04 0.41 -1.12 0.58 0.09 0.00 0.00 178.44 178.43 3hye h VAL 102 N 0.52 1.30 -0.01 1.22 2.07 -1.20 -3.38 116.25 116.77 3hye h VAL 102 Ca 0.14 -2.51 0.00 0.00 0.82 0.00 0.00 66.70 65.16 3hye h VAL 102 Cb 0.01 3.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.79 3hye h VAL 102 CO -0.03 0.73 -0.04 0.49 0.02 0.00 0.00 177.57 178.74 3hye n PHE 103 N -4.00 0.00 -3.84 1.57 3.01 -0.81 -4.98 117.46 108.42 3hye n PHE 103 Ca -0.18 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.00 3hye n PHE 103 Cb 0.89 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 40.39 3hye n PHE 103 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3hye n ASN 104 N 0.51 -4.50 -4.01 4.37 4.05 1.00 -4.96 115.26 111.72 3hye n ASN 104 Ca 0.07 -0.75 -0.21 0.00 0.45 0.00 0.00 54.58 54.14 3hye n ASN 104 Cb 0.29 -4.08 -0.16 0.00 1.23 0.00 0.00 39.78 37.06 3hye n ASN 104 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 177.26 173.61 3hye s ARG 105 N -6.48 1.04 0.23 1.20 3.52 -0.97 -4.95 118.95 112.55 3hye s ARG 105 Ca 0.56 -0.33 -0.30 0.00 -0.13 0.00 0.00 55.73 55.53 3hye s ARG 105 Cb -0.27 -0.96 -0.09 0.00 -1.56 0.00 0.00 34.95 32.07 3hye s ARG 105 CO 0.81 0.12 1.04 0.15 -0.81 0.00 0.00 175.30 176.60 3hye s LYS 106 N 0.21 4.71 0.05 5.12 1.02 -1.26 -2.78 119.74 126.82 3hye s LYS 106 Ca -0.04 1.66 -0.31 0.00 0.02 0.00 0.00 55.97 57.30 3hye s LYS 106 Cb -0.09 -3.25 -0.06 0.00 -0.52 0.00 0.00 37.83 33.91 3hye s LYS 106 CO 0.01 0.29 1.36 -1.17 -0.92 0.00 0.00 175.35 174.92 3hye s LEU 107 N -1.05 4.34 0.22 3.17 2.96 -1.26 -4.96 118.68 122.10 3hye s LEU 107 Ca 0.44 2.18 -0.30 0.00 -0.22 0.00 0.00 54.13 56.23 3hye s LEU 107 Cb -0.29 -3.57 -0.10 0.00 0.50 0.00 0.00 46.19 42.73 3hye s LEU 107 CO 0.36 -0.66 1.45 0.00 -1.32 0.00 0.00 176.35 176.18 3hye s ALA 108 N 1.71 3.64 0.44 5.97 0.00 -1.26 -4.89 121.76 127.36 3hye s ALA 108 Ca 0.63 1.30 0.15 0.00 0.00 0.00 0.00 51.96 54.05 3hye s ALA 108 Cb -0.33 -3.56 1.06 0.00 0.00 0.00 0.00 23.12 20.29 3hye s ALA 108 CO 0.28 -0.72 1.95 0.28 0.00 0.00 0.00 175.76 177.55 3hye h VAL 109 N 3.70 0.83 -0.37 0.00 2.07 -1.94 0.16 116.25 120.70 3hye h VAL 109 Ca -0.45 -0.13 -0.11 0.00 0.82 0.00 0.00 66.70 66.82 3hye h VAL 109 Cb 1.21 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 3hye h VAL 109 CO 0.81 0.07 -0.23 -0.08 0.02 0.00 0.00 177.57 178.16 3hye h GLU 110 N 0.39 0.74 -0.38 1.57 4.81 -2.00 -1.92 114.58 117.79 3hye h GLU 110 Ca 0.33 -0.30 -0.13 0.00 -0.13 0.00 0.00 59.36 59.12 3hye h GLU 110 Cb 0.73 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 3hye h GLU 110 CO -0.09 0.90 -0.30 -0.09 -0.73 0.00 0.00 179.01 178.69 3hye h ARG 111 N 0.65 0.82 -0.59 1.92 9.65 -1.12 -2.18 114.38 123.53 3hye h ARG 111 Ca 0.09 -0.38 -0.04 0.00 -1.10 0.00 0.00 59.98 58.55 3hye h ARG 111 Cb 0.73 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 29.27 3hye h ARG 111 CO 0.06 1.01 0.22 0.00 2.80 0.00 0.00 179.97 184.06 3hye h ALA 112 N 0.96 1.28 -0.56 2.80 0.00 -0.93 -0.91 119.26 121.90 3hye h ALA 112 Ca 0.08 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3hye h ALA 112 Cb 0.85 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3hye h ALA 112 CO 0.07 0.53 0.09 0.78 0.00 0.00 0.00 179.25 180.72 3hye h GLY 113 N 0.97 1.01 1.07 0.00 0.00 -1.04 -1.21 103.07 103.87 3hye h GLY 113 Ca 0.20 -0.67 -0.06 0.00 0.00 0.00 0.00 47.33 46.79 3hye h GLY 113 CO -0.02 0.62 0.21 0.45 0.00 0.00 0.00 176.54 177.81 3hye h HIS 114 N 0.83 1.20 -0.52 5.60 -0.00 -0.75 -0.80 115.15 120.71 3hye h HIS 114 Ca 0.17 -0.13 -0.11 0.00 -0.00 0.00 0.00 60.37 60.30 3hye h HIS 114 Cb 0.42 -0.34 -0.02 0.00 -0.00 0.00 0.00 27.41 27.47 3hye h HIS 114 CO 0.03 0.95 -0.11 -0.07 -0.00 0.00 0.00 177.93 178.73 3hye h LEU 115 N 1.10 1.00 -0.36 2.43 3.38 -0.96 -1.74 115.31 120.15 3hye h LEU 115 Ca 0.24 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 3hye h LEU 115 Cb 0.33 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3hye h LEU 115 CO -0.00 1.12 0.02 -0.07 0.09 0.00 0.00 178.44 179.60 3hye h LEU 116 N 0.86 0.61 -0.23 1.67 3.38 -1.06 -1.15 115.31 119.39 3hye h LEU 116 Ca 0.13 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 57.86 3hye h LEU 116 Cb 0.68 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 3hye h LEU 116 CO 0.05 0.75 -0.09 0.00 0.09 0.00 0.00 178.44 179.25 3hye h ASP 118 N -0.04 0.69 -0.56 0.00 3.32 -1.18 -1.39 116.42 117.24 3hye h ASP 118 Ca 0.12 -0.14 -0.09 0.00 0.02 0.00 0.00 57.03 56.94 3hye h ASP 118 Cb 0.23 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3hye h ASP 118 CO -0.27 0.73 0.01 0.50 -1.72 0.00 0.00 179.24 178.49 3hye h LYS 119 N 0.69 0.98 -0.20 3.56 3.64 -0.66 -2.91 116.57 121.67 3hye h LYS 119 Ca 0.15 -0.31 -0.11 0.00 -1.27 0.00 0.00 60.65 59.10 3hye h LYS 119 Cb 0.36 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 3hye h LYS 119 CO 0.01 0.98 -0.37 0.00 -2.27 0.00 0.00 179.45 177.80 3hye h ALA 120 N 0.97 1.00 -0.49 5.00 0.00 -1.02 -3.21 119.26 121.51 3hye h ALA 120 Ca 0.16 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 3hye h ALA 120 Cb 0.53 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3hye h ALA 120 CO 0.03 0.61 0.09 0.37 0.00 0.00 0.00 179.25 180.34 3hye h GLN 121 N 0.37 0.75 0.00 0.00 -0.00 -1.07 -2.71 115.11 112.46 3hye h GLN 121 Ca 0.04 -0.16 -0.01 0.00 -0.00 0.00 0.00 58.65 58.52 3hye h GLN 121 Cb 0.82 -0.11 -0.00 0.00 0.00 0.00 0.00 27.48 28.18 3hye h GLN 121 CO 0.07 0.70 -0.03 0.87 0.00 0.00 0.00 178.83 180.44 3hye h LYS 122 N 0.72 0.00 -0.81 1.69 1.57 -1.53 -1.31 116.57 116.90 3hye h LYS 122 Ca 0.16 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.91 3hye h LYS 122 Cb 0.31 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 3hye h LYS 122 CO 0.00 0.03 0.04 0.09 -0.57 0.00 0.00 179.45 179.04 3hye n ASN 123 N -4.10 3.42 0.00 0.86 3.02 -1.02 -3.68 115.26 113.76 3hye n ASN 123 Ca -0.03 -2.51 0.00 0.00 -0.03 0.00 0.00 54.58 52.01 3hye n ASN 123 Cb 0.12 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 3hye n ASN 123 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3hye n THR 124 N 0.25 0.00 -0.06 3.41 -2.24 -0.50 -3.17 114.28 111.97 3hye n THR 124 Ca 0.16 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3hye n THR 124 Cb 0.78 1.54 0.00 0.00 -2.10 0.00 0.00 70.33 70.54 3hye n THR 124 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3hye n GLN 125 N -0.04 2.82 -4.47 -0.78 7.27 -1.22 -4.57 117.38 116.39 3hye n GLN 125 Ca 0.00 -0.21 -0.29 0.00 0.07 0.00 0.00 57.00 56.57 3hye n GLN 125 Cb 0.13 -0.67 -0.13 0.00 2.41 0.00 0.00 30.24 31.98 3hye n GLN 125 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 3hye s SER 126 N -0.46 3.32 0.52 1.69 0.01 -1.25 -4.84 113.70 112.69 3hye s SER 126 Ca 0.00 -0.71 -0.19 0.00 1.31 0.00 0.00 55.95 56.36 3hye s SER 126 Cb 0.00 -0.25 -0.07 0.00 0.21 0.00 0.00 66.02 65.92 3hye s SER 126 CO 0.00 0.19 1.06 -0.47 0.41 0.00 0.00 173.24 174.43 3hye s TYR 127 N -1.02 2.94 0.00 2.43 5.04 -1.26 -3.92 117.35 121.56 3hye s TYR 127 Ca 0.14 1.56 0.00 0.00 -2.44 0.00 0.00 57.07 56.32 3hye s TYR 127 Cb -0.10 -3.09 0.00 0.00 0.35 0.00 0.00 41.96 39.12 3hye s TYR 127 CO 0.06 -1.03 0.00 0.41 -1.34 0.00 0.00 175.55 173.65 3hye n GLY 128 N -0.36 2.36 0.92 8.97 0.00 -1.26 -5.01 105.19 110.82 3hye n GLY 128 Ca 0.10 -0.50 -0.06 0.00 0.00 0.00 0.00 46.02 45.55 3hye n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hye n GLY 129 N 0.00 -0.43 3.15 -0.02 0.00 -1.25 -5.12 105.19 101.51 3hye n GLY 129 Ca 0.00 -1.80 -0.11 0.00 0.00 0.00 0.00 46.02 44.12 3hye n GLY 129 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3hye s ARG 130 N -3.43 0.61 0.82 1.61 1.70 -1.26 -4.78 118.95 114.22 3hye s ARG 130 Ca 0.17 -0.56 -0.11 0.00 -0.47 0.00 0.00 55.73 54.76 3hye s ARG 130 Cb -0.01 0.25 0.09 0.00 -0.57 0.00 0.00 34.95 34.71 3hye s ARG 130 CO 0.12 -0.16 1.09 -2.14 -1.08 0.00 0.00 175.30 173.13 3hye s PRO 131 N -2.15 1.84 0.37 3.89 0.02 -1.19 -4.84 135.00 132.94 3hye s PRO 131 Ca -0.08 1.08 -0.25 0.00 0.02 0.00 0.00 61.00 61.77 3hye s PRO 131 Cb -0.03 -1.86 -0.10 0.00 0.02 0.00 0.00 34.50 32.54 3hye s PRO 131 CO -0.02 -1.91 1.00 0.71 -0.33 0.00 0.00 177.00 176.45 3hye s TYR 132 N -2.89 3.45 -0.68 6.54 1.51 -1.26 -4.96 117.35 119.05 3hye s TYR 132 Ca 0.62 1.70 0.01 0.00 -1.01 0.00 0.00 57.07 58.39 3hye s TYR 132 Cb -0.18 -3.03 0.37 0.00 -0.11 0.00 0.00 41.96 39.02 3hye s TYR 132 CO 0.57 -0.26 1.56 0.41 -1.11 0.00 0.00 175.55 176.72 3hye n GLY 133 N 0.37 5.78 3.26 0.71 0.00 -1.26 -4.66 105.19 109.39 3hye n GLY 133 Ca 0.04 -2.63 -0.13 0.00 0.00 0.00 0.00 46.02 43.29 3hye n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hye s VAL 134 N -5.14 0.04 0.07 1.61 0.11 -1.26 -0.29 120.40 115.53 3hye s VAL 134 Ca 0.49 -0.31 0.04 0.00 -2.93 0.00 0.00 61.98 59.27 3hye s VAL 134 Cb 0.39 -0.60 -0.04 0.00 -1.53 0.00 0.00 36.38 34.60 3hye s VAL 134 CO -0.28 -0.17 0.02 -0.83 -3.33 0.00 0.00 175.10 170.51 3hye s GLY 135 N -0.85 1.93 0.01 6.54 0.00 0.01 -4.03 107.32 110.94 3hye s GLY 135 Ca -0.09 -1.06 0.02 0.00 0.00 0.00 0.00 44.72 43.58 3hye s GLY 135 CO 0.03 -1.01 -0.05 1.08 0.00 0.00 0.00 173.10 173.15 3hye s LEU 136 N -2.16 2.07 -0.24 0.66 1.43 -0.76 -1.44 118.68 118.23 3hye s LEU 136 Ca 0.25 -0.19 -0.01 0.00 -1.03 0.00 0.00 54.13 53.15 3hye s LEU 136 Cb -0.12 -0.21 0.03 0.00 0.03 0.00 0.00 46.19 45.92 3hye s LEU 136 CO 0.17 -0.01 -0.07 -0.76 0.23 0.00 0.00 176.35 175.91 3hye s LEU 137 N -0.45 3.12 -0.16 1.79 1.43 0.06 0.60 118.68 125.07 3hye s LEU 137 Ca -0.01 -0.88 -0.05 0.00 -1.03 0.00 0.00 54.13 52.16 3hye s LEU 137 Cb -0.04 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 3hye s LEU 137 CO -0.00 -0.12 -0.01 -0.63 0.23 0.00 0.00 176.35 175.82 3hye s ILE 138 N 1.31 4.16 0.17 -0.59 1.09 0.58 -0.72 121.20 127.20 3hye s ILE 138 Ca 0.00 -0.26 0.09 0.00 -1.10 0.00 0.00 60.65 59.38 3hye s ILE 138 Cb -0.17 -2.84 -0.04 0.00 -1.06 0.00 0.00 42.46 38.35 3hye s ILE 138 CO -0.05 0.49 -0.20 0.27 -0.10 0.00 0.00 174.94 175.34 3hye s ILE 139 N 0.34 1.99 -0.22 2.92 -4.36 -0.60 0.12 121.20 121.39 3hye s ILE 139 Ca -0.02 -1.93 -0.33 0.00 -0.26 0.00 0.00 60.65 58.11 3hye s ILE 139 Cb -0.14 -1.91 0.15 0.00 1.25 0.00 0.00 42.46 41.81 3hye s ILE 139 CO 0.02 -0.23 1.24 -0.83 0.24 0.00 0.00 174.94 175.39 3hye s GLY 140 N -2.61 -0.18 -0.25 6.27 0.00 -0.67 -2.10 107.32 107.77 3hye s GLY 140 Ca 0.17 2.00 0.00 0.00 0.00 0.00 0.00 44.72 46.89 3hye s GLY 140 CO 0.07 0.75 -0.09 -0.47 0.00 0.00 0.00 173.10 173.36 3hye s TYR 141 N -1.87 3.13 0.00 1.90 5.04 -0.86 -0.70 117.35 123.98 3hye s TYR 141 Ca 0.08 -1.91 0.00 0.00 -2.44 0.00 0.00 57.07 52.80 3hye s TYR 141 Cb -0.01 -2.00 0.00 0.00 0.35 0.00 0.00 41.96 40.30 3hye s TYR 141 CO -0.05 -0.81 0.00 -0.40 -1.34 0.00 0.00 175.55 172.95 3hye n ASP 142 N 4.56 1.58 0.00 4.32 3.85 -0.36 -4.85 116.55 125.65 3hye n ASP 142 Ca -0.16 -0.16 0.03 0.00 -0.71 0.00 0.00 54.79 53.80 3hye n ASP 142 Cb 0.45 0.00 0.18 0.00 -1.35 0.00 0.00 41.12 40.40 3hye n ASP 142 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3hye n LYS 143 N 0.00 0.17 -0.60 0.11 5.02 -1.26 -1.68 118.16 119.92 3hye n LYS 143 Ca 0.00 0.06 0.06 0.00 -2.02 0.00 0.00 58.31 56.41 3hye n LYS 143 Cb 0.00 -1.50 0.11 0.00 -0.02 0.00 0.00 35.03 33.62 3hye n LYS 143 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3hye n SER 144 N -1.08 1.41 0.00 4.39 3.41 -1.26 -5.12 113.62 115.37 3hye n SER 144 Ca 0.04 -2.89 0.00 0.00 -0.26 0.00 0.00 58.87 55.77 3hye n SER 144 Cb 0.03 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 3hye n SER 144 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hye n GLY 145 N -0.67 -0.94 3.80 5.00 0.00 -0.68 -4.96 105.19 106.75 3hye n GLY 145 Ca 0.12 -1.71 -0.36 0.00 0.00 0.00 0.00 46.02 44.07 3hye n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hye s ALA 146 N -1.71 3.20 -0.00 4.61 0.00 -1.26 -1.23 121.76 125.37 3hye s ALA 146 Ca 0.00 0.42 -0.09 0.00 0.00 0.00 0.00 51.96 52.29 3hye s ALA 146 Cb 0.00 -3.10 0.01 0.00 0.00 0.00 0.00 23.12 20.02 3hye s ALA 146 CO 0.00 0.19 0.18 -1.01 0.00 0.00 0.00 175.76 175.13 3hye s HIS 147 N -1.76 -0.01 -0.02 0.00 3.76 0.12 -4.98 115.29 112.39 3hye s HIS 147 Ca 0.52 -0.04 0.00 0.00 -0.15 0.00 0.00 55.06 55.40 3hye s HIS 147 Cb -0.16 -0.01 0.02 0.00 1.11 0.00 0.00 32.58 33.55 3hye s HIS 147 CO 0.20 -0.32 0.01 -1.17 -0.85 0.00 0.00 174.74 172.62 3hye s LEU 148 N -1.38 1.26 0.07 0.89 2.96 -1.25 -1.67 118.68 119.55 3hye s LEU 148 Ca -0.14 0.00 0.06 0.00 -0.22 0.00 0.00 54.13 53.83 3hye s LEU 148 Cb -0.07 -0.13 -0.03 0.00 0.50 0.00 0.00 46.19 46.46 3hye s LEU 148 CO 0.02 -0.09 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.04 3hye s LEU 149 N 0.87 2.26 -0.16 -0.68 1.02 0.32 -1.73 118.68 120.58 3hye s LEU 149 Ca -0.08 -0.61 0.01 0.00 0.02 0.00 0.00 54.13 53.48 3hye s LEU 149 Cb -0.11 -0.64 0.01 0.00 0.02 0.00 0.00 46.19 45.46 3hye s LEU 149 CO -0.02 -0.02 -0.19 -0.70 0.02 0.00 0.00 176.35 175.44 3hye s GLU 150 N -1.68 3.06 -0.21 1.70 2.12 0.71 -0.31 118.70 124.10 3hye s GLU 150 Ca 0.01 -0.82 -0.05 0.00 0.36 0.00 0.00 54.97 54.47 3hye s GLU 150 Cb -0.10 -2.53 -0.02 0.00 0.26 0.00 0.00 34.13 31.74 3hye s GLU 150 CO 0.03 -0.08 0.01 0.12 -0.54 0.00 0.00 175.26 174.80 3hye s PHE 151 N 0.99 3.05 -0.07 5.30 5.36 0.20 -1.00 117.98 131.81 3hye s PHE 151 Ca -0.03 -0.48 0.02 0.00 -0.96 0.00 0.00 56.93 55.48 3hye s PHE 151 Cb -0.15 -2.11 -0.03 0.00 -0.34 0.00 0.00 43.02 40.39 3hye s PHE 151 CO -0.05 -0.28 -0.10 -0.65 -1.46 0.00 0.00 175.22 172.68 3hye s GLN 152 N 1.14 2.70 0.65 10.12 -1.52 -0.16 -1.83 119.66 130.76 3hye s GLN 152 Ca 0.03 -0.60 0.23 0.00 -1.95 0.00 0.00 55.36 53.07 3hye s GLN 152 Cb -0.14 -2.52 1.27 0.00 -0.22 0.00 0.00 33.01 31.40 3hye s GLN 152 CO 0.02 0.63 1.71 -1.35 -0.25 0.00 0.00 175.29 176.04 3hye h PRO 153 N 5.36 0.00 0.00 2.91 0.11 -1.83 0.90 132.00 139.44 3hye h PRO 153 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3hye h PRO 153 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3hye h PRO 153 CO 0.52 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.18 3hye n SER 154 N -2.77 0.71 0.00 -2.05 3.41 -1.26 -4.56 113.62 107.10 3hye n SER 154 Ca -0.02 0.69 0.00 0.00 -0.26 0.00 0.00 58.87 59.28 3hye n SER 154 Cb 0.50 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 3hye n SER 154 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hye n GLY 155 N -0.11 0.40 3.65 5.00 0.00 0.31 -4.73 105.19 109.71 3hye n GLY 155 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 3hye n GLY 155 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hye s ASN 156 N -2.17 7.02 -0.07 1.61 0.01 -1.14 -4.40 114.94 115.80 3hye s ASN 156 Ca 0.00 1.36 0.05 0.00 -0.71 0.00 0.00 52.86 53.56 3hye s ASN 156 Cb 0.00 -2.54 -0.01 0.00 0.41 0.00 0.00 41.25 39.11 3hye s ASN 156 CO 0.00 -0.74 -0.22 -0.69 -1.51 0.00 0.00 177.10 173.94 3hye s VAL 157 N 3.39 2.32 0.01 1.60 1.01 -1.26 -0.98 120.40 126.49 3hye s VAL 157 Ca 0.47 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.50 3hye s VAL 157 Cb -0.16 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.34 3hye s VAL 157 CO 0.10 0.57 -0.07 -0.89 0.00 0.00 0.00 175.10 174.81 3hye s THR 158 N -0.16 0.52 -0.17 3.92 2.01 -0.17 -4.94 115.64 116.66 3hye s THR 158 Ca -0.03 -0.55 -0.14 0.00 0.31 0.00 0.00 61.69 61.28 3hye s THR 158 Cb -0.14 -0.49 -0.05 0.00 0.01 0.00 0.00 72.50 71.83 3hye s THR 158 CO 0.04 -0.04 0.30 -0.70 -0.69 0.00 0.00 174.62 173.53 3hye s GLU 159 N -0.65 4.25 0.31 4.92 2.12 -1.26 -0.21 118.70 128.18 3hye s GLU 159 Ca -0.02 0.09 0.04 0.00 0.36 0.00 0.00 54.97 55.45 3hye s GLU 159 Cb -0.05 -3.44 -0.03 0.00 0.26 0.00 0.00 34.13 30.87 3hye s GLU 159 CO 0.00 0.21 0.19 -0.51 -0.54 0.00 0.00 175.26 174.61 3hye s LEU 160 N 0.56 1.67 0.05 2.70 1.43 -0.71 -5.02 118.68 119.36 3hye s LEU 160 Ca 0.16 -1.61 0.14 0.00 -1.03 0.00 0.00 54.13 51.79 3hye s LEU 160 Cb -0.13 0.30 -0.16 0.00 0.03 0.00 0.00 46.19 46.23 3hye s LEU 160 CO 0.04 -0.94 0.86 1.88 0.23 0.00 0.00 176.35 178.42 3hye h TYR 161 N 2.20 0.00 -1.67 0.29 0.05 -1.93 -3.36 116.97 112.56 3hye h TYR 161 Ca -0.31 0.00 0.25 0.00 0.05 0.00 0.00 58.73 58.71 3hye h TYR 161 Cb 1.25 0.00 -0.15 0.00 1.01 0.00 0.00 36.73 38.83 3hye h TYR 161 CO 1.21 0.77 0.74 0.20 -1.05 0.00 0.00 178.16 180.02 3hye s GLY 162 N -4.87 -0.35 -0.10 3.88 0.00 -1.26 -0.83 107.32 103.79 3hye s GLY 162 Ca -0.03 1.11 -0.31 0.00 0.00 0.00 0.00 44.72 45.49 3hye s GLY 162 CO 0.81 0.33 1.40 -1.08 0.00 0.00 0.00 173.10 174.56 3hye s THR 163 N -2.61 0.00 -0.03 0.90 -1.32 0.11 -4.96 115.64 107.74 3hye s THR 163 Ca 0.10 -0.00 -0.20 0.00 -1.21 0.00 0.00 61.69 60.39 3hye s THR 163 Cb 0.01 -2.78 0.04 0.00 -1.51 0.00 0.00 72.50 68.26 3hye s THR 163 CO -0.04 0.00 0.42 0.00 -2.21 0.00 0.00 174.62 172.79 3hye s ALA 164 N -2.00 -1.08 0.06 11.08 0.00 -1.26 -0.82 121.76 127.73 3hye s ALA 164 Ca 0.29 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.88 3hye s ALA 164 Cb 0.02 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 3hye s ALA 164 CO -0.04 -0.29 -0.04 0.96 0.00 0.00 0.00 175.76 176.35 3hye s ILE 165 N -1.27 0.34 0.00 0.00 -4.36 -0.85 -4.84 121.20 110.22 3hye s ILE 165 Ca -0.13 -1.65 0.00 0.00 -0.26 0.00 0.00 60.65 58.62 3hye s ILE 165 Cb -0.04 -1.30 0.00 0.00 1.25 0.00 0.00 42.46 42.38 3hye s ILE 165 CO 0.06 -0.85 0.00 0.61 0.24 0.00 0.00 174.94 175.00 3hye n GLY 166 N 0.40 -0.60 3.71 6.27 0.00 -1.26 -1.58 105.19 112.13 3hye n GLY 166 Ca -0.16 -2.23 -0.42 0.00 0.00 0.00 0.00 46.02 43.22 3hye n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hye s ALA 167 N -1.79 3.69 -1.42 4.61 0.00 0.20 -2.39 121.76 124.66 3hye s ALA 167 Ca 0.00 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.20 3hye s ALA 167 Cb 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.52 3hye s ALA 167 CO 0.00 -0.76 0.00 0.54 0.00 0.00 0.00 175.76 175.54 3hye n ARG 168 N 4.20 -1.13 0.26 0.00 1.74 -1.26 -4.27 116.66 116.19 3hye n ARG 168 Ca 0.13 0.95 0.14 0.00 -0.77 0.00 0.00 57.85 58.30 3hye n ARG 168 Cb 0.40 -5.10 0.82 0.00 -1.02 0.00 0.00 32.46 27.56 3hye n ARG 168 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3hye h SER 169 N 0.00 0.00 -0.24 0.55 4.64 -1.77 -2.38 113.55 114.36 3hye h SER 169 Ca -0.27 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.12 3hye h SER 169 Cb 0.97 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.05 3hye h SER 169 CO 0.40 0.00 0.26 -0.61 -0.87 0.00 0.00 176.83 176.01 3hye h GLN 170 N 0.00 0.00 0.60 4.77 5.75 -1.88 -1.82 115.11 122.53 3hye h GLN 170 Ca 0.03 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.50 3hye h GLN 170 Cb 0.13 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.69 3hye h GLN 170 CO -0.00 0.00 -0.29 0.78 -2.65 0.00 0.00 178.83 176.67 3hye h GLY 171 N 0.00 -0.84 0.52 2.39 0.00 -1.62 -2.58 103.07 100.95 3hye h GLY 171 Ca 0.11 0.31 0.14 0.00 0.00 0.00 0.00 47.33 47.89 3hye h GLY 171 CO -0.00 -0.31 0.58 0.00 0.00 0.00 0.00 176.54 176.82 3hye h ALA 172 N -1.36 1.77 -0.53 3.60 0.00 -1.53 -1.93 119.26 119.28 3hye h ALA 172 Ca -0.08 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3hye h ALA 172 Cb 0.62 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3hye h ALA 172 CO 0.14 -0.01 -0.01 -0.22 0.00 0.00 0.00 179.25 179.14 3hye h LYS 173 N 0.75 0.90 -0.19 0.00 3.64 -1.34 -0.95 116.57 119.38 3hye h LYS 173 Ca 0.46 -0.26 -0.17 0.00 -1.27 0.00 0.00 60.65 59.40 3hye h LYS 173 Cb 0.67 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.40 3hye h LYS 173 CO -0.22 0.90 -0.58 1.15 -2.27 0.00 0.00 179.45 178.43 3hye h THR 174 N 0.83 1.32 0.05 1.00 2.02 -0.95 -1.52 112.91 115.66 3hye h THR 174 Ca 0.15 -1.83 -0.00 0.00 0.77 0.00 0.00 66.41 65.50 3hye h THR 174 Cb 0.50 1.79 -0.00 0.00 -1.74 0.00 0.00 68.15 68.71 3hye h THR 174 CO 0.02 0.57 -0.03 0.22 0.37 0.00 0.00 175.52 176.68 3hye h TYR 175 N 0.46 -0.07 -0.74 3.16 3.20 -1.10 -2.27 116.97 119.61 3hye h TYR 175 Ca 0.00 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 3hye h TYR 175 Cb 1.14 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.40 3hye h TYR 175 CO 0.05 -0.05 0.28 -0.07 -1.64 0.00 0.00 178.16 176.74 3hye h LEU 176 N -0.08 1.03 -1.55 2.82 3.38 -1.14 0.36 115.31 120.14 3hye h LEU 176 Ca -0.01 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3hye h LEU 176 Cb 0.06 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.54 3hye h LEU 176 CO 0.01 0.93 0.00 -0.08 0.09 0.00 0.00 178.44 179.39 3hye h GLU 177 N 1.07 0.00 0.01 1.13 4.81 -1.06 0.15 114.58 120.69 3hye h GLU 177 Ca 0.24 0.00 -0.41 0.00 -0.13 0.00 0.00 59.36 59.07 3hye h GLU 177 Cb 0.24 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.56 3hye h GLU 177 CO -0.02 0.00 -2.27 -2.13 -0.73 0.00 0.00 179.01 173.87 3hye n ARG 178 N -2.48 0.60 0.00 1.92 0.00 -0.67 -4.32 116.66 111.71 3hye n ARG 178 Ca -0.01 0.30 0.10 0.00 -0.00 0.00 0.00 57.85 58.24 3hye n ARG 178 Cb 0.11 -1.56 0.54 0.00 0.00 0.00 0.00 32.46 31.56 3hye n ARG 178 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 3hye n THR 179 N -4.08 0.21 0.00 5.15 -1.04 0.12 -4.44 114.28 110.19 3hye n THR 179 Ca -0.48 0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.58 3hye n THR 179 Cb 0.88 -0.73 0.00 0.00 -1.82 0.00 0.00 70.33 68.65 3hye n THR 179 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3hye n LEU 180 N -1.14 0.00 -0.20 -4.42 7.94 0.49 -0.69 117.00 118.99 3hye n LEU 180 Ca 0.12 0.75 0.30 0.00 -1.11 0.00 0.00 56.01 56.07 3hye n LEU 180 Cb 0.11 -0.28 0.63 0.00 0.53 0.00 0.00 43.42 44.41 3hye n LEU 180 CO 0.13 -0.28 1.27 0.44 -1.11 0.00 0.00 177.39 177.84 3hye h ASP 18 N 0.00 0.00 0.00 1.96 3.45 -1.88 -2.47 116.42 117.47 3hye h ASP 18 Ca 0.00 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.46 3hye h ASP 18 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3hye h ASP 18 CO 0.00 0.00 -0.00 0.74 -1.57 0.00 0.00 179.24 178.41 3hye h THR 18 N 0.00 0.00 -0.08 0.35 2.02 -1.22 -3.39 112.91 110.59 3hye h THR 18 Ca 0.47 -0.01 -0.03 0.00 0.77 0.00 0.00 66.41 67.62 3hye h THR 18 Cb 2.35 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 3hye h THR 18 CO -0.00 0.00 -0.07 2.19 0.37 0.00 0.00 175.52 178.00 3hye h PHE 18 N -0.01 0.11 0.00 3.16 -5.15 -1.26 -2.58 116.94 111.22 3hye h PHE 18 Ca -0.00 -0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.76 3hye h PHE 18 Cb 0.00 -0.04 0.00 0.00 0.22 0.00 0.00 35.95 36.14 3hye h PHE 18 CO 0.03 0.19 0.08 1.51 -2.00 0.00 0.00 178.31 178.12 3hye n ILE 18 N -4.39 1.01 -0.02 0.88 3.06 -0.95 -0.25 119.36 118.71 3hye n ILE 18 Ca -0.02 0.72 0.06 0.00 -2.50 0.00 0.00 62.75 61.01 3hye n ILE 18 Cb 0.19 -1.72 0.14 0.00 0.54 0.00 0.00 39.64 38.79 3hye n ILE 18 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 3hye n LYS 18 N -2.12 2.32 -1.49 9.51 5.02 -0.97 -3.98 118.16 126.44 3hye n LYS 18 Ca -0.01 -1.89 -0.40 0.00 -2.02 0.00 0.00 58.31 53.99 3hye n LYS 18 Cb 0.10 -1.28 -0.02 0.00 -0.02 0.00 0.00 35.03 33.82 3hye n LYS 18 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3hye n ILE 18 N 0.64 3.77 -3.34 -0.18 5.41 0.65 -4.91 119.36 121.40 3hye n ILE 18 Ca 0.11 -2.73 -0.36 0.00 1.00 0.00 0.00 62.75 60.77 3hye n ILE 18 Cb 0.41 -2.59 -0.06 0.00 -0.71 0.00 0.00 39.64 36.69 3hye n ILE 18 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 3hye s ASP 183 N 2.80 6.90 0.00 4.38 1.01 -1.26 -4.05 116.67 126.44 3hye s ASP 183 Ca 0.57 1.13 0.00 0.00 0.71 0.00 0.00 52.55 54.96 3hye s ASP 183 Cb 0.16 -2.31 0.00 0.00 1.01 0.00 0.00 42.92 41.78 3hye s ASP 183 CO -0.07 0.16 0.00 0.61 0.21 0.00 0.00 175.17 176.09 3hye n GLY 184 N 1.12 0.44 2.47 0.21 0.00 -1.26 -4.94 105.19 103.23 3hye n GLY 184 Ca -0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 3hye n GLY 184 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hye s ASN 185 N -2.25 2.38 0.12 1.61 3.04 -1.26 -5.02 114.94 113.58 3hye s ASN 185 Ca 0.00 -2.70 -0.27 0.00 0.04 0.00 0.00 52.86 49.93 3hye s ASN 185 Cb 0.00 -0.52 -0.06 0.00 -1.54 0.00 0.00 41.25 39.13 3hye s ASN 185 CO 0.00 -0.23 1.62 1.55 -3.04 0.00 0.00 177.10 177.00 3hye h PRO 186 N 6.28 -0.46 -1.06 0.43 0.13 -1.92 -2.35 132.00 133.06 3hye h PRO 186 Ca 0.15 0.03 0.28 0.00 -0.87 0.00 0.00 66.00 65.60 3hye h PRO 186 Cb 0.93 0.10 -0.09 0.00 0.13 0.00 0.00 31.00 32.08 3hye h PRO 186 CO 0.35 -0.30 0.70 -0.44 -0.23 0.00 0.00 178.00 178.08 3hye h ASP 187 N -0.47 0.36 -0.22 1.44 3.32 -1.98 0.25 116.42 119.11 3hye h ASP 187 Ca 0.06 0.07 -0.19 0.00 0.02 0.00 0.00 57.03 56.99 3hye h ASP 187 Cb 0.55 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.12 3hye h ASP 187 CO -0.25 0.06 -0.59 -0.33 -1.72 0.00 0.00 179.24 176.41 3hye h GLU 188 N 0.31 0.79 -0.49 3.56 4.39 -1.83 -1.40 114.58 119.91 3hye h GLU 188 Ca 0.59 -0.56 -0.05 0.00 0.34 0.00 0.00 59.36 59.69 3hye h GLU 188 Cb 1.66 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 30.38 3hye h GLU 188 CO -0.25 1.18 0.11 1.25 -1.16 0.00 0.00 179.01 180.14 3hye h LEU 189 N 0.54 0.76 -0.05 1.33 6.46 -0.29 -1.42 115.31 122.62 3hye h LEU 189 Ca -0.01 -0.24 -0.00 0.00 -0.12 0.00 0.00 57.88 57.51 3hye h LEU 189 Cb 1.21 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 40.94 3hye h LEU 189 CO 0.13 0.80 0.03 0.40 -0.62 0.00 0.00 178.44 179.17 3hye h ILE 190 N 0.68 1.09 -0.91 4.05 2.04 -0.76 -0.30 117.51 123.40 3hye h ILE 190 Ca 0.15 -0.25 0.08 0.00 1.00 0.00 0.00 64.86 65.84 3hye h ILE 190 Cb 0.34 1.16 -0.07 0.00 -0.74 0.00 0.00 36.82 37.52 3hye h ILE 190 CO 0.00 0.07 0.57 0.11 0.00 0.00 0.00 178.15 178.90 3hye h LYS 191 N -0.02 0.96 -0.79 2.37 1.57 -1.15 0.17 116.57 119.69 3hye h LYS 191 Ca 0.02 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3hye h LYS 191 Cb 0.09 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.15 3hye h LYS 191 CO -0.00 0.64 0.46 0.00 -0.57 0.00 0.00 179.45 179.97 3hye h ALA 192 N 1.45 1.32 -0.35 3.86 0.00 -0.80 0.41 119.26 125.15 3hye h ALA 192 Ca 0.41 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 3hye h ALA 192 Cb 0.26 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3hye h ALA 192 CO -0.20 0.57 -0.15 0.78 0.00 0.00 0.00 179.25 180.25 3hye h GLY 193 N 1.12 0.77 1.79 0.00 0.00 0.88 -2.12 103.07 105.50 3hye h GLY 193 Ca 0.28 -0.68 -0.06 0.00 0.00 0.00 0.00 47.33 46.87 3hye h GLY 193 CO -0.05 0.62 -0.17 -2.08 0.00 0.00 0.00 176.54 174.85 3hye h VAL 194 N 0.49 1.20 -0.07 4.60 2.07 -0.22 -1.16 116.25 123.15 3hye h VAL 194 Ca 0.08 -0.92 -0.13 0.00 0.82 0.00 0.00 66.70 66.55 3hye h VAL 194 Cb 0.68 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 3hye h VAL 194 CO 0.05 0.28 -0.53 -0.08 0.02 0.00 0.00 177.57 177.31 3hye h GLU 195 N 0.24 0.21 -0.09 1.57 4.81 -0.75 -1.92 114.58 118.65 3hye h GLU 195 Ca 0.05 -0.12 -0.24 0.00 -0.13 0.00 0.00 59.36 58.91 3hye h GLU 195 Cb 0.45 0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.86 3hye h GLU 195 CO 0.03 0.69 -0.88 0.00 -0.73 0.00 0.00 179.01 178.12 3hye h ALA 196 N 1.29 0.27 -0.26 2.92 0.00 -0.77 -3.24 119.26 119.47 3hye h ALA 196 Ca 0.00 -0.64 -0.13 0.00 0.00 0.00 0.00 54.91 54.14 3hye h ALA 196 Cb 0.99 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3hye h ALA 196 CO 0.08 0.70 -0.38 0.97 0.00 0.00 0.00 179.25 180.62 3hye h ILE 197 N 0.46 1.29 0.00 0.00 2.10 -1.12 -2.39 117.51 117.86 3hye h ILE 197 Ca -0.08 -1.54 0.00 0.00 1.08 0.00 0.00 64.86 64.32 3hye h ILE 197 Cb 1.51 1.50 0.00 0.00 -1.09 0.00 0.00 36.82 38.75 3hye h ILE 197 CO 0.17 0.49 0.00 -1.54 -1.08 0.00 0.00 178.15 176.19 3hye n SER 198 N -4.04 0.28 0.00 2.19 3.41 -0.73 -1.27 113.62 113.46 3hye n SER 198 Ca -0.02 0.58 0.13 0.00 -0.26 0.00 0.00 58.87 59.31 3hye n SER 198 Cb 0.51 -0.64 0.78 0.00 -0.26 0.00 0.00 64.21 64.60 3hye n SER 198 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3hye n GLN 199 N -1.82 0.79 0.00 4.33 -0.06 -0.90 -2.48 117.38 117.24 3hye n GLN 199 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.03 3hye n GLN 199 Cb 0.16 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 24.84 3hye n GLN 199 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 3hye n SER 200 N -1.03 1.45 -4.09 1.69 7.64 -0.40 -3.86 113.62 115.03 3hye n SER 200 Ca 0.19 -1.63 -0.30 0.00 1.01 0.00 0.00 58.87 58.15 3hye n SER 200 Cb 0.10 0.00 0.20 0.00 -1.01 0.00 0.00 64.21 63.50 3hye n SER 200 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hye s LEU 201 N -0.63 1.75 0.00 -3.43 1.43 -1.04 -4.82 118.68 111.94 3hye s LEU 201 Ca 0.00 0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.63 3hye s LEU 201 Cb 0.00 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.74 3hye s LEU 201 CO 0.00 -3.30 0.00 -1.14 0.23 0.00 0.00 176.35 172.14 3hye n ARG 202 N -4.19 0.00 0.00 1.70 0.63 -1.26 -5.00 116.66 108.53 3hye n ARG 202 Ca 0.13 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 3hye n ARG 202 Cb 0.59 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.50 3hye n ARG 202 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 3hye n ASP 203 N 0.00 0.00 0.00 6.15 2.03 -1.26 -4.96 116.55 118.51 3hye n ASP 203 Ca 0.00 0.95 0.00 0.00 0.52 0.00 0.00 54.79 56.26 3hye n ASP 203 Cb 0.00 -0.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.94 3hye n ASP 203 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 3hye n GLU 204 N -1.87 2.85 -4.26 -0.67 0.28 -1.26 -5.17 120.64 110.54 3hye n GLU 204 Ca 0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.83 3hye n GLU 204 Cb 0.00 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 32.73 3hye n GLU 204 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3hye s SER 206 N 1.00 1.07 -0.07 -1.84 0.15 -1.26 -4.90 113.70 107.85 3hye s SER 206 Ca 0.00 -0.30 -0.31 0.00 0.70 0.00 0.00 55.95 56.04 3hye s SER 206 Cb 0.00 -0.07 -0.09 0.00 -1.71 0.00 0.00 66.02 64.14 3hye s SER 206 CO 0.00 0.02 2.00 0.00 1.20 0.00 0.00 173.24 176.46 3hye n LEU 207 N 2.37 3.69 0.00 3.45 -0.00 -1.26 -4.97 117.00 120.27 3hye n LEU 207 Ca -0.16 0.78 -0.07 0.00 -0.00 0.00 0.00 56.01 56.55 3hye n LEU 207 Cb 0.56 -1.47 0.02 0.00 -0.00 0.00 0.00 43.42 42.54 3hye n LEU 207 CO 0.24 -0.08 0.13 0.35 -0.00 0.00 0.00 177.39 178.02 3hye n THR 2 N 5.90 0.00 -0.05 1.47 -2.24 -1.26 -4.92 114.28 113.18 3hye n THR 2 Ca 0.24 -0.69 -0.15 0.00 -2.27 0.00 0.00 64.05 61.18 3hye n THR 2 Cb 0.37 -0.81 -0.07 0.00 -2.10 0.00 0.00 70.33 67.72 3hye n THR 2 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 3hye h VAL 2 N 0.05 1.35 -0.48 2.28 3.04 -1.93 -2.28 116.25 118.28 3hye h VAL 2 Ca -0.10 -1.64 0.00 0.00 -1.01 0.00 0.00 66.70 63.96 3hye h VAL 2 Cb 0.44 1.98 0.00 0.00 -2.01 0.00 0.00 31.29 31.70 3hye h VAL 2 CO 0.14 0.50 0.00 -0.90 -1.01 0.00 0.00 177.57 176.30 3hye n ASP 2 N -4.30 3.56 -0.00 3.17 5.68 -1.26 -2.87 116.55 120.52 3hye n ASP 2 Ca -0.07 -2.31 0.02 0.00 -0.50 0.00 0.00 54.79 51.94 3hye n ASP 2 Cb 0.52 -0.48 -0.04 0.00 -1.14 0.00 0.00 41.12 39.98 3hye n ASP 2 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3hye n ASN 2 N 0.78 3.94 -4.87 -1.12 5.15 -1.18 -4.64 115.26 113.32 3hye n ASN 2 Ca 0.19 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.81 3hye n ASN 2 Cb 0.67 1.13 -0.06 0.00 -0.53 0.00 0.00 39.78 40.99 3hye n ASN 2 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3hye s LEU 210 N -3.46 4.40 -0.04 1.20 2.96 -0.87 -1.53 118.68 121.35 3hye s LEU 210 Ca -0.02 0.69 -0.01 0.00 -0.22 0.00 0.00 54.13 54.58 3hye s LEU 210 Cb 0.03 -2.58 0.03 0.00 0.50 0.00 0.00 46.19 44.17 3hye s LEU 210 CO 0.19 0.29 0.03 -0.55 -1.32 0.00 0.00 176.35 174.99 3hye s SER 211 N -1.40 0.76 0.08 3.68 0.15 -0.80 -4.11 113.70 112.07 3hye s SER 211 Ca 0.25 0.01 0.06 0.00 0.70 0.00 0.00 55.95 56.98 3hye s SER 211 Cb -0.14 -0.20 -0.03 0.00 -1.71 0.00 0.00 66.02 63.94 3hye s SER 211 CO 0.13 -0.17 -0.17 -0.63 1.20 0.00 0.00 173.24 173.61 3hye s ILE 212 N 1.56 1.34 -0.08 6.45 -1.09 -0.46 -0.35 121.20 128.57 3hye s ILE 212 Ca -0.03 -1.41 -0.09 0.00 -2.23 0.00 0.00 60.65 56.90 3hye s ILE 212 Cb -0.13 -1.27 0.02 0.00 -1.58 0.00 0.00 42.46 39.51 3hye s ILE 212 CO -0.03 -0.17 0.24 0.00 -1.23 0.00 0.00 174.94 173.74 3hye s ALA 213 N -1.27 -0.58 0.03 9.38 0.00 0.16 0.77 121.76 130.24 3hye s ALA 213 Ca 0.01 0.58 -0.01 0.00 0.00 0.00 0.00 51.96 52.54 3hye s ALA 213 Cb -0.10 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 3hye s ALA 213 CO 0.03 -0.13 -0.01 -1.50 0.00 0.00 0.00 175.76 174.15 3hye s ILE 214 N -0.11 0.14 -0.04 0.00 2.07 -0.79 -0.16 121.20 122.31 3hye s ILE 214 Ca -0.02 -1.16 -0.11 0.00 -1.41 0.00 0.00 60.65 57.95 3hye s ILE 214 Cb -0.02 -0.67 0.02 0.00 0.13 0.00 0.00 42.46 41.92 3hye s ILE 214 CO 0.01 -0.64 0.26 0.54 -1.91 0.00 0.00 174.94 173.20 3hye s VAL 215 N -2.23 0.04 -0.22 4.00 0.11 -0.93 -1.38 120.40 119.79 3hye s VAL 215 Ca -0.09 -0.36 0.00 0.00 -2.93 0.00 0.00 61.98 58.60 3hye s VAL 215 Cb -0.04 -0.50 0.00 0.00 -1.53 0.00 0.00 36.38 34.31 3hye s VAL 215 CO -0.04 -0.20 0.00 0.61 -3.33 0.00 0.00 175.10 172.14 3hye n GLY 216 N 1.87 -1.17 0.00 6.54 0.00 0.03 -1.54 105.19 110.92 3hye n GLY 216 Ca -0.19 -1.01 -0.00 0.00 0.00 0.00 0.00 46.02 44.82 3hye n GLY 216 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hye n LYS 217 N -0.04 -0.00 -1.40 1.61 4.81 -0.57 0.63 118.16 123.20 3hye n LYS 217 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.38 3hye n LYS 217 Cb 0.00 -0.00 0.11 0.00 0.02 0.00 0.00 35.03 35.16 3hye n LYS 217 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3hye n ASP 218 N -2.98 2.88 -3.87 3.14 10.43 -1.26 -4.98 116.55 119.91 3hye n ASP 218 Ca 0.00 -3.54 -0.29 0.00 2.57 0.00 0.00 54.79 53.53 3hye n ASP 218 Cb 0.00 -0.43 -0.16 0.00 1.84 0.00 0.00 41.12 42.37 3hye n ASP 218 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3hye s THR 219 N -3.52 1.18 0.21 -3.53 2.01 0.20 -5.11 115.64 107.07 3hye s THR 219 Ca 0.42 -0.99 -0.30 0.00 0.31 0.00 0.00 61.69 61.13 3hye s THR 219 Cb 0.38 -1.53 -0.08 0.00 0.01 0.00 0.00 72.50 71.28 3hye s THR 219 CO -0.03 -0.14 1.15 -2.16 -0.69 0.00 0.00 174.62 172.75 3hye s PRO 220 N 1.56 4.55 -0.48 4.92 0.04 -1.26 -0.79 135.00 143.54 3hye s PRO 220 Ca -0.04 1.82 -0.45 0.00 0.04 0.00 0.00 61.00 62.37 3hye s PRO 220 Cb -0.18 -3.24 -0.19 0.00 0.04 0.00 0.00 34.50 30.93 3hye s PRO 220 CO -0.07 0.02 1.83 0.34 0.04 0.00 0.00 177.00 179.17 3hye n PHE 221 N 2.15 1.56 -4.06 0.56 -0.00 -0.16 -4.76 117.46 112.74 3hye n PHE 221 Ca 0.03 0.93 -0.13 0.00 -0.00 0.00 0.00 57.45 58.27 3hye n PHE 221 Cb 0.45 -2.28 -0.12 0.00 -0.00 0.00 0.00 39.48 37.53 3hye n PHE 221 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 3hye s THR 222 N 4.32 0.39 -0.11 -2.13 -4.23 -0.48 -4.93 115.64 108.47 3hye s THR 222 Ca 1.10 -0.73 -0.04 0.00 -1.18 0.00 0.00 61.69 60.84 3hye s THR 222 Cb -1.44 -0.43 -0.04 0.00 1.34 0.00 0.00 72.50 71.93 3hye s THR 222 CO 0.74 -0.23 0.04 -0.63 -0.54 0.00 0.00 174.62 173.99 3hye s ILE 223 N -0.93 4.63 -0.14 2.99 1.09 -1.26 -1.89 121.20 125.69 3hye s ILE 223 Ca -0.07 -0.12 0.02 0.00 -1.10 0.00 0.00 60.65 59.39 3hye s ILE 223 Cb -0.07 -2.99 0.01 0.00 -1.06 0.00 0.00 42.46 38.35 3hye s ILE 223 CO -0.00 0.58 -0.20 -0.31 -0.10 0.00 0.00 174.94 174.91 3hye s TYR 224 N -0.63 2.55 0.01 3.97 2.02 0.23 -4.99 117.35 120.51 3hye s TYR 224 Ca 0.11 -1.31 0.02 0.00 -0.37 0.00 0.00 57.07 55.51 3hye s TYR 224 Cb -0.12 -1.75 -0.01 0.00 -0.40 0.00 0.00 41.96 39.68 3hye s TYR 224 CO 0.02 -0.62 -0.06 -0.51 -1.57 0.00 0.00 175.55 172.82 3hye s ASP 225 N 0.94 0.63 0.73 2.29 1.01 -1.26 -1.36 116.67 119.65 3hye s ASP 225 Ca -0.05 -0.27 0.00 0.00 0.71 0.00 0.00 52.55 52.94 3hye s ASP 225 Cb -0.15 -0.02 0.00 0.00 1.01 0.00 0.00 42.92 43.76 3hye s ASP 225 CO -0.04 -0.05 0.00 0.61 0.21 0.00 0.00 175.17 175.90 3hye n GLY 226 N 2.37 1.99 0.25 0.21 0.00 -1.14 -3.49 105.19 105.38 3hye n GLY 226 Ca -0.17 -0.56 0.20 0.00 0.00 0.00 0.00 46.02 45.49 3hye n GLY 226 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hye n GLU 227 N 13.20 -0.05 0.10 1.61 4.71 -1.26 0.18 120.64 139.13 3hye n GLU 227 Ca 0.00 1.09 0.09 0.00 -0.01 0.00 0.00 57.16 58.33 3hye n GLU 227 Cb 0.00 -1.87 0.42 0.00 -1.01 0.00 0.00 31.44 28.98 3hye n GLU 227 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3hye n ALA 228 N -2.75 1.31 0.52 0.62 0.00 -1.23 -1.74 120.51 117.25 3hye n ALA 228 Ca 0.25 0.10 0.06 0.00 0.00 0.00 0.00 53.44 53.84 3hye n ALA 228 Cb 0.84 -1.27 -0.00 0.00 0.00 0.00 0.00 19.45 19.01 3hye n ALA 228 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3hye n VAL 229 N -2.02 0.00 -0.23 0.00 0.24 0.47 -4.62 118.33 112.17 3hye n VAL 229 Ca 0.01 -0.37 0.04 0.00 -2.04 0.00 0.00 64.34 61.97 3hye n VAL 229 Cb 0.11 1.13 0.15 0.00 -1.47 0.00 0.00 33.84 33.76 3hye n VAL 229 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hye h ALA 230 N 2.01 0.82 0.00 2.33 0.00 -1.13 -0.30 119.26 122.99 3hye h ALA 230 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3hye h ALA 230 Cb 0.39 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3hye h ALA 230 CO 0.00 -0.36 0.00 0.36 0.00 0.00 0.00 179.25 179.25 3hye n LYS 231 N -5.20 0.22 0.00 0.00 0.00 -1.26 -1.46 118.16 110.46 3hye n LYS 231 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.43 3hye n LYS 231 Cb 0.42 -1.06 0.00 0.00 -0.00 0.00 0.00 35.03 34.38 3hye n LYS 231 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 3hye n TYR 232 N 0.01 0.00 1.97 5.58 4.02 -0.13 -5.09 117.16 123.52 3hye n TYR 232 Ca 0.00 0.00 0.16 0.00 -0.01 0.00 0.00 57.90 58.05 3hye n TYR 232 Cb 0.03 0.00 0.92 0.00 -0.02 0.00 0.00 39.34 40.28 3hye n TYR 232 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96