#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hy2 n GLY 4 N 0.00 -2.22 0.04 0.46 0.00 -1.24 -4.05 105.19 98.17 3hy2 n GLY 4 Ca 0.00 -1.51 0.03 0.00 0.00 0.00 0.00 46.02 44.55 3hy2 n GLY 4 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hy2 n ASN 5 N -0.44 2.14 -4.55 1.61 3.02 0.16 -4.87 115.26 112.33 3hy2 n ASN 5 Ca 0.00 -2.36 -0.43 0.00 -0.03 0.00 0.00 54.58 51.76 3hy2 n ASN 5 Cb 0.00 -0.15 -0.03 0.00 -0.61 0.00 0.00 39.78 38.99 3hy2 n ASN 5 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hy2 s ALA 6 N -1.62 3.12 -0.09 5.41 0.00 -1.14 -4.65 121.76 122.79 3hy2 s ALA 6 Ca 0.11 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 51.10 3hy2 s ALA 6 Cb 0.09 -3.83 0.01 0.00 0.00 0.00 0.00 23.12 19.39 3hy2 s ALA 6 CO 0.01 -2.42 -0.15 0.15 0.00 0.00 0.00 175.76 173.35 3hy2 s LYS 7 N 4.29 2.08 0.25 0.00 1.02 -1.26 -5.03 119.74 121.09 3hy2 s LYS 7 Ca 0.37 -0.53 -0.31 0.00 0.02 0.00 0.00 55.97 55.52 3hy2 s LYS 7 Cb -0.10 -1.71 -0.13 0.00 -0.52 0.00 0.00 37.83 35.37 3hy2 s LYS 7 CO 0.23 0.01 1.50 -0.89 -0.92 0.00 0.00 175.35 175.28 3hy2 n ILE 8 N 3.93 0.87 -0.89 2.17 2.08 -1.26 -1.59 119.36 124.66 3hy2 n ILE 8 Ca -0.21 -0.22 0.00 0.00 0.56 0.00 0.00 62.75 62.89 3hy2 n ILE 8 Cb 0.52 -1.67 0.00 0.00 -0.75 0.00 0.00 39.64 37.74 3hy2 n ILE 8 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3hy2 n GLY 9 N 2.33 0.86 3.62 7.39 0.00 0.74 -4.99 105.19 115.15 3hy2 n GLY 9 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 3hy2 n GLY 9 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hy2 s HIS 10 N -3.41 2.65 0.05 1.61 3.76 -0.62 -4.89 115.29 114.44 3hy2 s HIS 10 Ca 0.00 -0.23 -0.36 0.00 -0.15 0.00 0.00 55.06 54.31 3hy2 s HIS 10 Cb 0.00 -1.18 -0.16 0.00 1.11 0.00 0.00 32.58 32.36 3hy2 s HIS 10 CO 0.00 0.63 1.48 -2.30 -0.85 0.00 0.00 174.74 173.70 3hy2 n PRO 11 N -0.82 1.46 -1.84 8.40 -0.02 -1.26 -0.89 135.00 140.03 3hy2 n PRO 11 Ca -0.06 0.53 -0.41 0.00 -2.02 0.00 0.00 63.50 61.53 3hy2 n PRO 11 Cb 0.59 -2.22 -0.01 0.00 -0.02 0.00 0.00 33.50 31.84 3hy2 n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hy2 s ALA 12 N 1.18 3.59 -0.13 3.55 0.00 0.50 -4.74 121.76 125.71 3hy2 s ALA 12 Ca 0.85 1.53 -0.37 0.00 0.00 0.00 0.00 51.96 53.97 3hy2 s ALA 12 Cb -0.88 -3.60 -0.14 0.00 0.00 0.00 0.00 23.12 18.49 3hy2 s ALA 12 CO 0.47 -0.99 1.73 -2.30 0.00 0.00 0.00 175.76 174.67 3hy2 n PRO 13 N 0.78 1.59 -1.79 0.00 -0.02 -1.26 -4.94 135.00 129.35 3hy2 n PRO 13 Ca 0.02 0.58 -0.33 0.00 -2.02 0.00 0.00 63.50 61.75 3hy2 n PRO 13 Cb 0.39 -2.32 0.04 0.00 -0.02 0.00 0.00 33.50 31.59 3hy2 n PRO 13 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3hy2 s ASN 14 N 3.14 5.25 0.05 2.55 2.47 -1.26 -4.94 114.94 122.20 3hy2 s ASN 14 Ca 0.93 1.93 -0.06 0.00 0.42 0.00 0.00 52.86 56.08 3hy2 s ASN 14 Cb -0.90 -2.54 -0.01 0.00 -1.45 0.00 0.00 41.25 36.35 3hy2 s ASN 14 CO 0.56 -1.53 0.10 0.72 -3.72 0.00 0.00 177.10 173.23 3hy2 s PHE 15 N -2.43 0.22 -0.10 0.43 -0.71 -1.26 -4.96 117.98 109.16 3hy2 s PHE 15 Ca 0.65 -0.56 0.04 0.00 -1.04 0.00 0.00 56.93 56.02 3hy2 s PHE 15 Cb -0.19 -0.15 0.00 0.00 -1.21 0.00 0.00 43.02 41.47 3hy2 s PHE 15 CO 0.42 -0.39 -0.23 0.21 -1.34 0.00 0.00 175.22 173.89 3hy2 s LYS 16 N -2.90 2.93 0.03 1.99 2.20 -1.26 -2.30 119.74 120.44 3hy2 s LYS 16 Ca -0.03 -0.84 -0.17 0.00 -0.36 0.00 0.00 55.97 54.58 3hy2 s LYS 16 Cb 0.01 -2.25 0.03 0.00 -1.51 0.00 0.00 37.83 34.10 3hy2 s LYS 16 CO -0.06 0.13 0.38 0.00 -0.36 0.00 0.00 175.35 175.44 3hy2 s ALA 17 N 0.46 -0.92 -0.07 3.13 0.00 0.25 -4.94 121.76 119.67 3hy2 s ALA 17 Ca -0.16 0.28 -0.30 0.00 0.00 0.00 0.00 51.96 51.77 3hy2 s ALA 17 Cb -0.17 0.28 -0.03 0.00 0.00 0.00 0.00 23.12 23.20 3hy2 s ALA 17 CO 0.07 -0.41 1.14 0.99 0.00 0.00 0.00 175.76 177.55 3hy2 s THR 18 N -2.25 4.41 0.20 0.00 2.01 -1.26 -0.58 115.64 118.16 3hy2 s THR 18 Ca -0.07 1.72 0.11 0.00 0.31 0.00 0.00 61.69 63.76 3hy2 s THR 18 Cb -0.01 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 3hy2 s THR 18 CO -0.01 0.00 -0.21 0.00 -0.69 0.00 0.00 174.62 173.72 3hy2 s ALA 19 N 2.12 2.64 -0.23 7.40 0.00 0.69 -1.11 121.76 133.28 3hy2 s ALA 19 Ca 0.54 -1.63 -0.16 0.00 0.00 0.00 0.00 51.96 50.71 3hy2 s ALA 19 Cb -0.23 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 3hy2 s ALA 19 CO 0.21 0.42 0.40 0.08 0.00 0.00 0.00 175.76 176.87 3hy2 s VAL 20 N -1.76 5.18 0.49 0.00 1.01 -0.08 -1.72 120.40 123.52 3hy2 s VAL 20 Ca 0.22 0.68 -0.03 0.00 0.00 0.00 0.00 61.98 62.85 3hy2 s VAL 20 Cb -0.08 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 3hy2 s VAL 20 CO 0.11 0.21 0.76 -0.04 0.00 0.00 0.00 175.10 176.14 3hy2 s MET 21 N 1.64 3.23 0.55 2.72 1.00 0.20 -1.47 119.30 127.17 3hy2 s MET 21 Ca 0.18 -0.10 0.28 0.00 0.00 0.00 0.00 55.69 56.04 3hy2 s MET 21 Cb -0.15 -2.43 1.46 0.00 0.00 0.00 0.00 34.83 33.71 3hy2 s MET 21 CO 0.09 -0.32 1.96 -1.35 0.00 0.00 0.00 175.02 175.39 3hy2 h PRO 22 N 0.21 0.00 0.00 2.03 0.11 -1.79 0.09 132.00 132.66 3hy2 h PRO 22 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3hy2 h PRO 22 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3hy2 h PRO 22 CO 0.60 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.99 3hy2 n ASP 23 N -4.12 0.00 0.00 -2.05 3.85 -1.26 -4.63 116.55 108.34 3hy2 n ASP 23 Ca 0.10 -0.98 0.00 0.00 -0.71 0.00 0.00 54.79 53.20 3hy2 n ASP 23 Cb 0.66 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.43 3hy2 n ASP 23 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hy2 n GLY 24 N 0.76 1.01 3.88 6.12 0.00 0.02 -5.05 105.19 111.93 3hy2 n GLY 24 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 3hy2 n GLY 24 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hy2 s GLN 25 N -0.35 3.79 0.22 1.61 -0.21 -1.26 -4.74 119.66 118.73 3hy2 s GLN 25 Ca 0.00 0.29 -0.26 0.00 0.02 0.00 0.00 55.36 55.41 3hy2 s GLN 25 Cb 0.00 -2.60 -0.09 0.00 1.00 0.00 0.00 33.01 31.33 3hy2 s GLN 25 CO 0.00 0.24 0.84 -0.06 -2.12 0.00 0.00 175.29 174.20 3hy2 s PHE 26 N -1.94 3.85 -0.11 0.91 0.08 -1.26 -0.63 117.98 118.89 3hy2 s PHE 26 Ca 0.48 1.70 -0.10 0.00 0.12 0.00 0.00 56.93 59.13 3hy2 s PHE 26 Cb -0.11 -2.83 0.03 0.00 -0.57 0.00 0.00 43.02 39.54 3hy2 s PHE 26 CO 0.23 0.42 0.29 0.21 -0.10 0.00 0.00 175.22 176.27 3hy2 s LYS 27 N -1.44 0.33 -0.16 0.44 2.20 -0.70 -4.95 119.74 115.47 3hy2 s LYS 27 Ca 0.41 0.41 -0.27 0.00 -0.36 0.00 0.00 55.97 56.16 3hy2 s LYS 27 Cb -0.22 0.15 -0.01 0.00 -1.51 0.00 0.00 37.83 36.23 3hy2 s LYS 27 CO 0.27 -0.05 0.90 -0.51 -0.36 0.00 0.00 175.35 175.59 3hy2 s ASP 28 N 0.23 7.05 0.19 1.43 1.01 -1.26 -0.22 116.67 125.10 3hy2 s ASP 28 Ca -0.01 1.29 0.08 0.00 0.71 0.00 0.00 52.55 54.62 3hy2 s ASP 28 Cb -0.03 -2.49 -0.05 0.00 1.01 0.00 0.00 42.92 41.37 3hy2 s ASP 28 CO -0.00 -0.43 -0.16 0.27 0.21 0.00 0.00 175.17 175.06 3hy2 s ILE 29 N 2.19 1.79 0.06 0.77 -4.36 0.25 -4.90 121.20 117.00 3hy2 s ILE 29 Ca 0.41 -2.12 0.08 0.00 -0.26 0.00 0.00 60.65 58.76 3hy2 s ILE 29 Cb -0.17 -1.98 -0.03 0.00 1.25 0.00 0.00 42.46 41.53 3hy2 s ILE 29 CO 0.13 -0.50 -0.21 -0.44 0.24 0.00 0.00 174.94 174.16 3hy2 s SER 30 N -3.11 2.57 0.28 4.36 0.01 -1.26 -0.58 113.70 115.97 3hy2 s SER 30 Ca 0.20 -0.58 0.02 0.00 1.31 0.00 0.00 55.95 56.91 3hy2 s SER 30 Cb -0.03 -0.19 0.68 0.00 0.21 0.00 0.00 66.02 66.69 3hy2 s SER 30 CO 0.07 0.14 1.71 0.25 0.41 0.00 0.00 173.24 175.82 3hy2 h LEU 31 N 4.61 0.35 -2.36 2.44 5.85 -1.82 -1.07 115.31 123.31 3hy2 h LEU 31 Ca -0.44 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.42 3hy2 h LEU 31 Cb 1.16 0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.31 3hy2 h LEU 31 CO 0.42 0.04 0.00 0.77 -0.34 0.00 0.00 178.44 179.33 3hy2 h SER 32 N 0.44 0.00 0.04 1.25 4.64 -1.95 -1.17 113.55 116.79 3hy2 h SER 32 Ca 0.53 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.85 3hy2 h SER 32 Cb 0.96 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.05 3hy2 h SER 32 CO -0.49 0.00 -0.00 0.44 -0.87 0.00 0.00 176.83 175.90 3hy2 h ASP 33 N 0.00 0.00 -0.65 4.97 3.32 -1.58 -2.70 116.42 119.79 3hy2 h ASP 33 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hy2 h ASP 33 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3hy2 h ASP 33 CO 0.00 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.30 3hy2 n TYR 34 N -3.25 1.26 -1.70 4.55 4.02 -0.44 -4.97 117.16 116.62 3hy2 n TYR 34 Ca -0.03 -0.58 -0.40 0.00 -0.01 0.00 0.00 57.90 56.88 3hy2 n TYR 34 Cb 0.08 -0.16 0.02 0.00 -0.02 0.00 0.00 39.34 39.26 3hy2 n TYR 34 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3hy2 n LYS 35 N 1.21 1.84 0.00 -0.72 5.02 -1.02 -1.49 118.16 123.00 3hy2 n LYS 35 Ca 0.24 0.66 0.00 0.00 -2.02 0.00 0.00 58.31 57.19 3hy2 n LYS 35 Cb 0.78 -2.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.40 3hy2 n LYS 35 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hy2 n GLY 36 N 0.83 1.72 3.24 0.72 0.00 0.11 -5.04 105.19 106.77 3hy2 n GLY 36 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 3hy2 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hy2 s LYS 37 N -0.74 1.13 0.41 1.61 1.02 -0.56 -4.85 119.74 117.76 3hy2 s LYS 37 Ca 0.00 -1.00 -0.26 0.00 0.02 0.00 0.00 55.97 54.73 3hy2 s LYS 37 Cb 0.00 -1.27 -0.09 0.00 -0.52 0.00 0.00 37.83 35.95 3hy2 s LYS 37 CO 0.00 0.31 1.35 0.71 -0.92 0.00 0.00 175.35 176.80 3hy2 s TYR 38 N -1.01 2.72 -0.09 3.18 1.51 -0.94 -3.54 117.35 119.18 3hy2 s TYR 38 Ca 0.05 1.35 0.04 0.00 -1.01 0.00 0.00 57.07 57.50 3hy2 s TYR 38 Cb -0.09 -3.76 -0.00 0.00 -0.11 0.00 0.00 41.96 38.00 3hy2 s TYR 38 CO 0.03 -2.36 -0.22 0.08 -1.11 0.00 0.00 175.55 171.96 3hy2 s VAL 39 N -1.23 1.92 -0.43 0.71 1.01 0.25 -0.59 120.40 122.05 3hy2 s VAL 39 Ca 0.57 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 61.48 3hy2 s VAL 39 Cb -0.40 -1.66 0.06 0.00 0.00 0.00 0.00 36.38 34.38 3hy2 s VAL 39 CO 0.52 0.53 0.31 -0.69 0.00 0.00 0.00 175.10 175.77 3hy2 s VAL 40 N 0.28 4.75 -0.26 2.92 1.01 0.41 -0.84 120.40 128.66 3hy2 s VAL 40 Ca -0.15 -1.13 -0.07 0.00 0.00 0.00 0.00 61.98 60.63 3hy2 s VAL 40 Cb -0.17 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 3hy2 s VAL 40 CO 0.07 -0.48 0.07 0.12 0.00 0.00 0.00 175.10 174.89 3hy2 s PHE 41 N 1.55 3.09 0.05 5.22 5.36 -0.24 -0.57 117.98 132.44 3hy2 s PHE 41 Ca 0.03 -0.53 0.06 0.00 -0.96 0.00 0.00 56.93 55.53 3hy2 s PHE 41 Cb -0.23 -2.24 -0.03 0.00 -0.34 0.00 0.00 43.02 40.19 3hy2 s PHE 41 CO 0.05 -0.41 -0.17 -0.59 -1.46 0.00 0.00 175.22 172.64 3hy2 s PHE 42 N 1.59 1.50 0.16 10.12 -0.12 0.22 -0.19 117.98 131.25 3hy2 s PHE 42 Ca 0.06 -0.38 0.06 0.00 -0.05 0.00 0.00 56.93 56.62 3hy2 s PHE 42 Cb -0.15 -0.88 -0.04 0.00 -0.63 0.00 0.00 43.02 41.32 3hy2 s PHE 42 CO 0.03 0.08 0.07 -0.06 -0.05 0.00 0.00 175.22 175.29 3hy2 s PHE 43 N -0.92 3.02 0.03 3.49 0.40 0.73 -0.09 117.98 124.64 3hy2 s PHE 43 Ca 0.04 -0.06 -0.04 0.00 -0.60 0.00 0.00 56.93 56.27 3hy2 s PHE 43 Cb -0.09 -1.47 -0.01 0.00 0.51 0.00 0.00 43.02 41.96 3hy2 s PHE 43 CO 0.02 0.52 0.06 1.52 0.70 0.00 0.00 175.22 178.03 3hy2 s TYR 44 N -1.68 0.23 0.05 0.36 -0.85 -0.06 -3.90 117.35 111.50 3hy2 s TYR 44 Ca 0.29 -0.52 -0.24 0.00 -0.52 0.00 0.00 57.07 56.08 3hy2 s TYR 44 Cb -0.10 -0.17 -0.16 0.00 0.38 0.00 0.00 41.96 41.91 3hy2 s TYR 44 CO 0.21 -0.32 1.57 -1.00 -1.52 0.00 0.00 175.55 174.49 3hy2 h PRO 45 N 3.91 0.03 -2.16 -3.49 0.13 -1.82 -3.39 132.00 125.20 3hy2 h PRO 45 Ca -0.32 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 64.74 3hy2 h PRO 45 Cb 1.19 -0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.11 3hy2 h PRO 45 CO 0.49 0.20 0.08 -0.51 -0.23 0.00 0.00 178.00 178.02 3hy2 s LEU 46 N -9.83 -0.47 0.63 1.56 1.43 -1.26 -4.27 118.68 106.47 3hy2 s LEU 46 Ca -0.14 1.06 -0.16 0.00 -1.03 0.00 0.00 54.13 53.86 3hy2 s LEU 46 Cb 0.05 2.28 -0.01 0.00 0.03 0.00 0.00 46.19 48.53 3hy2 s LEU 46 CO 0.67 -0.36 1.12 -1.81 0.23 0.00 0.00 176.35 176.20 3hy2 s ASP 47 N -0.23 5.21 -1.40 2.29 1.11 -1.26 -4.36 116.67 118.02 3hy2 s ASP 47 Ca -0.04 2.07 -0.06 0.00 0.18 0.00 0.00 52.55 54.70 3hy2 s ASP 47 Cb -0.03 -2.56 0.01 0.00 1.07 0.00 0.00 42.92 41.40 3hy2 s ASP 47 CO 0.04 -1.57 0.76 0.49 1.18 0.00 0.00 175.17 176.07 3hy2 n PHE 48 N -2.14 -2.15 -2.07 4.23 3.72 -1.26 -5.01 117.46 112.77 3hy2 n PHE 48 Ca 0.11 0.65 -0.16 0.00 -0.05 0.00 0.00 57.45 58.00 3hy2 n PHE 48 Cb 0.52 -4.48 0.10 0.00 -0.94 0.00 0.00 39.48 34.67 3hy2 n PHE 48 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3hy2 n THR 49 N -4.59 0.00 1.66 4.37 -2.24 -1.26 -4.97 114.28 107.25 3hy2 n THR 49 Ca -0.07 -0.80 0.13 0.00 -2.27 0.00 0.00 64.05 61.04 3hy2 n THR 49 Cb 0.59 -1.35 0.63 0.00 -2.10 0.00 0.00 70.33 68.10 3hy2 n THR 49 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3hy2 n PHE 50 N -2.64 0.03 -4.02 4.78 3.01 -1.26 -4.77 117.46 112.59 3hy2 n PHE 50 Ca 0.10 -0.02 -0.36 0.00 1.01 0.00 0.00 57.45 58.18 3hy2 n PHE 50 Cb 0.36 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.75 3hy2 n PHE 50 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3hy2 s VAL 51 N -1.97 5.10 0.36 -4.37 0.11 -1.26 -5.08 120.40 113.30 3hy2 s VAL 51 Ca 0.39 0.06 -0.28 0.00 -2.93 0.00 0.00 61.98 59.21 3hy2 s VAL 51 Cb 0.20 -3.22 -0.11 0.00 -1.53 0.00 0.00 36.38 31.72 3hy2 s VAL 51 CO 0.32 0.59 1.47 -1.81 -3.33 0.00 0.00 175.10 172.34 3hy2 s ASP 52 N -0.77 6.42 -0.71 3.54 1.01 -1.26 -4.89 116.67 120.01 3hy2 s ASP 52 Ca 0.13 2.98 -0.07 0.00 0.71 0.00 0.00 52.55 56.31 3hy2 s ASP 52 Cb -0.12 -2.66 -0.10 0.00 1.01 0.00 0.00 42.92 41.05 3hy2 s ASP 52 CO 0.03 -0.82 3.10 -0.81 0.21 0.00 0.00 175.17 176.87 3hy2 n PRO 53 N 0.68 2.91 -0.25 8.23 -0.04 -1.26 -4.69 135.00 140.59 3hy2 n PRO 53 Ca 0.01 -1.95 0.05 0.00 -0.04 0.00 0.00 63.50 61.57 3hy2 n PRO 53 Cb 0.39 -2.33 0.18 0.00 -0.04 0.00 0.00 33.50 31.70 3hy2 n PRO 53 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3hy2 h THR 54 N 2.35 0.60 -0.56 0.52 2.02 -1.96 -1.32 112.91 114.56 3hy2 h THR 54 Ca 0.49 -0.12 -0.11 0.00 0.77 0.00 0.00 66.41 67.44 3hy2 h THR 54 Cb 0.85 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 3hy2 h THR 54 CO 0.95 0.06 -0.07 1.05 0.37 0.00 0.00 175.52 177.89 3hy2 h GLU 55 N 0.36 1.03 -0.42 6.66 4.11 -1.93 -0.16 114.58 124.22 3hy2 h GLU 55 Ca 0.40 -0.36 -0.03 0.00 0.07 0.00 0.00 59.36 59.45 3hy2 h GLU 55 Cb 0.64 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 3hy2 h GLU 55 CO -0.44 1.04 0.16 0.82 0.07 0.00 0.00 179.01 180.66 3hy2 h ILE 56 N 0.92 1.21 -0.87 -1.06 2.04 -1.81 -2.18 117.51 115.77 3hy2 h ILE 56 Ca 0.15 -0.65 0.01 0.00 1.00 0.00 0.00 64.86 65.37 3hy2 h ILE 56 Cb 0.63 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 3hy2 h ILE 56 CO 0.04 0.24 0.57 0.40 0.00 0.00 0.00 178.15 179.40 3hy2 h ILE 57 N 0.54 1.22 -0.18 -0.67 2.04 -1.05 -0.68 117.51 118.74 3hy2 h ILE 57 Ca 0.14 -0.41 0.02 0.00 1.00 0.00 0.00 64.86 65.61 3hy2 h ILE 57 Cb 0.21 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.22 3hy2 h ILE 57 CO -0.01 0.22 0.06 0.00 0.00 0.00 0.00 178.15 178.42 3hy2 h ALA 58 N 1.32 0.20 -0.79 1.87 0.00 -0.84 0.48 119.26 121.49 3hy2 h ALA 58 Ca 0.32 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 3hy2 h ALA 58 Cb -0.13 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3hy2 h ALA 58 CO -0.07 -0.37 0.35 0.74 0.00 0.00 0.00 179.25 179.90 3hy2 h PHE 59 N 0.15 1.18 -0.13 0.00 0.04 -1.15 -1.26 116.94 115.78 3hy2 h PHE 59 Ca 0.08 -0.08 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 3hy2 h PHE 59 Cb 0.05 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 37.83 3hy2 h PHE 59 CO -0.11 0.88 0.02 1.03 -0.60 0.00 0.00 178.31 179.52 3hy2 h SER 60 N 1.14 0.22 -0.80 2.17 0.87 -0.90 -2.49 113.55 113.77 3hy2 h SER 60 Ca 0.27 -0.28 0.05 0.00 -1.23 0.00 0.00 61.79 60.60 3hy2 h SER 60 Cb 0.17 -0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 62.03 3hy2 h SER 60 CO -0.03 0.44 0.52 0.44 -0.53 0.00 0.00 176.83 177.67 3hy2 h ASP 61 N -0.01 0.81 -0.62 6.23 3.32 0.11 -2.54 116.42 123.72 3hy2 h ASP 61 Ca 0.04 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 3hy2 h ASP 61 Cb 0.32 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 3hy2 h ASP 61 CO 0.00 0.54 0.06 0.54 -1.72 0.00 0.00 179.24 178.66 3hy2 n ARG 62 N -4.46 4.69 0.19 3.56 1.74 -0.49 -4.61 116.66 117.28 3hy2 n ARG 62 Ca 0.11 -3.15 0.12 0.00 -0.77 0.00 0.00 57.85 54.16 3hy2 n ARG 62 Cb 0.16 -2.27 0.69 0.00 -1.02 0.00 0.00 32.46 30.02 3hy2 n ARG 62 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hy2 h ALA 63 N 3.75 2.07 -0.59 7.54 0.00 -0.99 -1.82 119.26 129.21 3hy2 h ALA 63 Ca 0.06 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3hy2 h ALA 63 Cb 2.07 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.85 3hy2 h ALA 63 CO 0.55 -0.19 0.21 1.49 0.00 0.00 0.00 179.25 181.32 3hy2 h GLU 64 N 0.00 0.87 -0.34 0.00 4.57 -1.85 -0.68 114.58 117.15 3hy2 h GLU 64 Ca 0.07 -0.15 -0.04 0.00 -1.18 0.00 0.00 59.36 58.06 3hy2 h GLU 64 Cb 0.30 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 3hy2 h GLU 64 CO -0.00 0.73 0.03 0.93 -1.18 0.00 0.00 179.01 179.52 3hy2 h GLU 65 N 0.85 0.52 -0.23 1.92 5.08 -1.70 -0.75 114.58 120.27 3hy2 h GLU 65 Ca 0.20 -0.10 -0.16 0.00 -1.00 0.00 0.00 59.36 58.30 3hy2 h GLU 65 Cb 0.20 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3hy2 h GLU 65 CO -0.01 0.52 -0.49 0.74 -1.00 0.00 0.00 179.01 178.76 3hy2 h PHE 66 N 0.50 0.94 -0.79 4.33 -1.00 -1.50 -3.24 116.94 116.18 3hy2 h PHE 66 Ca 0.11 -0.35 0.04 0.00 2.81 0.00 0.00 57.97 60.58 3hy2 h PHE 66 Cb 0.27 -0.17 -0.05 0.00 3.61 0.00 0.00 35.95 39.61 3hy2 h PHE 66 CO 0.01 1.14 0.50 -0.22 -1.61 0.00 0.00 178.31 178.13 3hy2 h LYS 67 N 0.47 0.94 -0.15 1.51 3.64 -0.91 0.05 116.57 122.12 3hy2 h LYS 67 Ca 0.00 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.37 3hy2 h LYS 67 Cb 1.10 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.70 3hy2 h LYS 67 CO 0.11 0.62 0.15 0.87 -2.27 0.00 0.00 179.45 178.93 3hy2 h LYS 68 N 0.97 0.00 -0.62 1.90 1.57 -1.18 0.49 116.57 119.70 3hy2 h LYS 68 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 3hy2 h LYS 68 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3hy2 h LYS 68 CO -0.12 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.04 3hy2 n LEU 69 N -3.88 5.34 -3.96 2.94 4.77 -0.40 -4.94 117.00 116.87 3hy2 n LEU 69 Ca 0.01 -2.71 -0.29 0.00 -0.03 0.00 0.00 56.01 52.99 3hy2 n LEU 69 Cb 0.27 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 3hy2 n LEU 69 CO 0.28 0.62 -0.03 -3.20 -1.33 0.00 0.00 177.39 173.73 3hy2 n ASN 70 N 0.63 -2.80 -4.23 -1.43 5.15 0.16 -4.78 115.26 107.97 3hy2 n ASN 70 Ca 0.26 -0.89 -0.25 0.00 -0.60 0.00 0.00 54.58 53.10 3hy2 n ASN 70 Cb 1.11 -3.45 -0.14 0.00 -0.53 0.00 0.00 39.78 36.77 3hy2 n ASN 70 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3hy2 s SER 71 N -3.73 2.34 -0.19 1.20 1.04 -0.13 -2.21 113.70 112.01 3hy2 s SER 71 Ca 0.42 -0.50 -0.05 0.00 0.48 0.00 0.00 55.95 56.30 3hy2 s SER 71 Cb -0.22 -0.19 -0.03 0.00 0.10 0.00 0.00 66.02 65.68 3hy2 s SER 71 CO 0.86 0.15 -0.01 -1.58 0.98 0.00 0.00 173.24 173.64 3hy2 s GLN 72 N -1.13 3.63 -0.13 4.02 2.00 0.25 -3.64 119.66 124.66 3hy2 s GLN 72 Ca 0.07 -0.52 -0.15 0.00 -2.00 0.00 0.00 55.36 52.76 3hy2 s GLN 72 Cb -0.09 -3.05 -0.05 0.00 0.80 0.00 0.00 33.01 30.63 3hy2 s GLN 72 CO 0.02 0.06 0.37 0.08 -0.50 0.00 0.00 175.29 175.32 3hy2 s VAL 73 N 0.86 5.25 -0.07 1.34 1.01 -1.26 -0.45 120.40 127.08 3hy2 s VAL 73 Ca 0.01 0.71 0.02 0.00 0.00 0.00 0.00 61.98 62.71 3hy2 s VAL 73 Cb -0.14 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.55 3hy2 s VAL 73 CO 0.02 0.38 -0.10 -0.63 0.00 0.00 0.00 175.10 174.77 3hy2 s ILE 74 N 0.40 0.99 0.24 2.22 1.01 0.27 -4.16 121.20 122.16 3hy2 s ILE 74 Ca 0.20 -0.37 0.06 0.00 0.00 0.00 0.00 60.65 60.54 3hy2 s ILE 74 Cb -0.14 -0.94 -0.03 0.00 0.01 0.00 0.00 42.46 41.36 3hy2 s ILE 74 CO 0.07 0.33 0.29 -0.83 0.00 0.00 0.00 174.94 174.80 3hy2 s GLY 75 N 0.89 1.33 -0.11 6.18 0.00 -0.87 -0.61 107.32 114.13 3hy2 s GLY 75 Ca -0.11 -1.28 -0.16 0.00 0.00 0.00 0.00 44.72 43.17 3hy2 s GLY 75 CO 0.01 -1.31 0.41 0.00 0.00 0.00 0.00 173.10 172.21 3hy2 s ALA 76 N -2.01 -1.03 0.28 3.20 0.00 0.87 -0.09 121.76 122.98 3hy2 s ALA 76 Ca 0.34 0.94 -0.03 0.00 0.00 0.00 0.00 51.96 53.20 3hy2 s ALA 76 Cb -0.09 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.62 3hy2 s ALA 76 CO 0.27 -0.23 0.36 -1.54 0.00 0.00 0.00 175.76 174.62 3hy2 s SER 77 N -0.37 0.62 0.00 0.00 1.04 -1.04 -0.88 113.70 113.06 3hy2 s SER 77 Ca -0.05 -1.38 0.19 0.00 0.48 0.00 0.00 55.95 55.19 3hy2 s SER 77 Cb -0.03 0.56 0.92 0.00 0.10 0.00 0.00 66.02 67.57 3hy2 s SER 77 CO 0.02 -1.11 1.61 1.33 0.98 0.00 0.00 173.24 176.07 3hy2 n VAL 78 N -0.46 0.51 -1.78 5.02 0.24 -1.26 -0.38 118.33 120.22 3hy2 n VAL 78 Ca 0.02 0.13 -0.32 0.00 -2.04 0.00 0.00 64.34 62.13 3hy2 n VAL 78 Cb 0.63 -0.80 0.03 0.00 -1.47 0.00 0.00 33.84 32.23 3hy2 n VAL 78 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3hy2 s ASP 79 N -2.73 5.60 0.69 -1.34 1.11 -1.26 -3.32 116.67 115.42 3hy2 s ASP 79 Ca 0.15 1.68 -0.14 0.00 0.18 0.00 0.00 52.55 54.41 3hy2 s ASP 79 Cb 0.13 -2.51 0.02 0.00 1.07 0.00 0.00 42.92 41.63 3hy2 s ASP 79 CO 0.32 -1.29 1.13 -0.94 1.18 0.00 0.00 175.17 175.56 3hy2 s SER 80 N -3.43 4.79 0.38 0.27 1.04 -1.26 -3.73 113.70 111.76 3hy2 s SER 80 Ca 0.60 2.06 0.06 0.00 0.48 0.00 0.00 55.95 59.14 3hy2 s SER 80 Cb -0.14 -2.56 0.75 0.00 0.10 0.00 0.00 66.02 64.17 3hy2 s SER 80 CO 0.48 -1.85 1.98 1.12 0.98 0.00 0.00 173.24 175.95 3hy2 h HIS 81 N -0.22 0.54 -0.32 5.02 2.07 -1.93 -0.86 115.15 119.44 3hy2 h HIS 81 Ca -0.46 -0.01 0.03 0.00 -2.85 0.00 0.00 60.37 57.07 3hy2 h HIS 81 Cb 1.25 -0.17 -0.03 0.00 2.57 0.00 0.00 27.41 31.03 3hy2 h HIS 81 CO 0.53 0.42 0.12 0.74 -3.07 0.00 0.00 177.93 176.67 3hy2 h PHE 82 N 0.55 0.22 -0.54 6.12 -1.00 -1.98 -1.49 116.94 118.82 3hy2 h PHE 82 Ca 0.14 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.92 3hy2 h PHE 82 Cb 0.09 -0.05 -0.03 0.00 3.61 0.00 0.00 35.95 39.57 3hy2 h PHE 82 CO 0.00 0.10 0.28 1.49 -1.61 0.00 0.00 178.31 178.58 3hy2 h GLU 83 N 0.27 0.75 -0.58 1.51 4.81 -1.84 -2.12 114.58 117.38 3hy2 h GLU 83 Ca 0.14 -0.09 0.11 0.00 -0.13 0.00 0.00 59.36 59.38 3hy2 h GLU 83 Cb 0.10 -0.14 -0.09 0.00 0.63 0.00 0.00 28.75 29.25 3hy2 h GLU 83 CO -0.13 0.59 0.11 0.45 -0.73 0.00 0.00 179.01 179.30 3hy2 h HIS 84 N 0.72 0.16 -0.56 0.92 3.86 -0.95 -2.16 115.15 117.14 3hy2 h HIS 84 Ca 0.19 0.04 -0.08 0.00 -1.16 0.00 0.00 60.37 59.35 3hy2 h HIS 84 Cb 0.07 0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 3hy2 h HIS 84 CO -0.01 -0.05 0.03 1.25 0.86 0.00 0.00 177.93 180.01 3hy2 h LEU 85 N 0.23 0.94 -0.87 2.43 5.85 -0.97 -1.17 115.31 121.75 3hy2 h LEU 85 Ca 0.30 -0.29 0.13 0.00 0.84 0.00 0.00 57.88 58.86 3hy2 h LEU 85 Cb 0.45 -0.25 -0.09 0.00 0.37 0.00 0.00 40.66 41.14 3hy2 h LEU 85 CO -0.40 1.00 0.48 -0.33 -0.34 0.00 0.00 178.44 178.85 3hy2 h GLU 86 N 0.85 0.70 -0.26 1.25 5.08 -1.08 -1.07 114.58 120.05 3hy2 h GLU 86 Ca 0.16 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.41 3hy2 h GLU 86 Cb 0.51 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3hy2 h GLU 86 CO 0.02 0.47 -0.11 2.35 -1.00 0.00 0.00 179.01 180.74 3hy2 h TRP 87 N 0.73 0.61 -0.74 4.33 7.01 -1.00 -2.43 115.95 124.47 3hy2 h TRP 87 Ca 0.46 -0.15 0.14 0.00 2.11 0.00 0.00 58.89 61.45 3hy2 h TRP 87 Cb 0.58 -0.14 -0.09 0.00 -2.10 0.00 0.00 29.16 27.40 3hy2 h TRP 87 CO -0.07 0.78 0.29 0.28 -2.79 0.00 0.00 178.44 176.93 3hy2 h VAL 88 N 0.27 0.67 -0.16 2.65 2.07 -0.88 -1.54 116.25 119.32 3hy2 h VAL 88 Ca 0.06 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3hy2 h VAL 88 Cb 0.60 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 3hy2 h VAL 88 CO 0.03 0.08 0.00 0.59 0.02 0.00 0.00 177.57 178.29 3hy2 n ASN 89 N -5.01 1.33 -4.51 0.57 3.02 -0.44 -2.60 115.26 107.62 3hy2 n ASN 89 Ca 0.14 -2.07 -0.34 0.00 -0.03 0.00 0.00 54.58 52.27 3hy2 n ASN 89 Cb 0.40 -0.26 -0.12 0.00 -0.61 0.00 0.00 39.78 39.19 3hy2 n ASN 89 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3hy2 s THR 90 N -1.65 4.06 0.61 3.41 2.01 -0.85 -5.02 115.64 118.21 3hy2 s THR 90 Ca 0.12 -0.29 -0.18 0.00 0.31 0.00 0.00 61.69 61.64 3hy2 s THR 90 Cb 0.07 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.74 3hy2 s THR 90 CO 0.07 0.47 0.99 -2.65 -0.69 0.00 0.00 174.62 172.81 3hy2 n PRO 91 N 3.68 0.91 0.12 4.92 -0.02 -1.26 -2.86 135.00 140.48 3hy2 n PRO 91 Ca -0.17 0.35 0.04 0.00 -2.02 0.00 0.00 63.50 61.70 3hy2 n PRO 91 Cb 0.52 -2.20 0.45 0.00 -0.02 0.00 0.00 33.50 32.25 3hy2 n PRO 91 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3hy2 h LYS 92 N 0.47 0.27 0.00 -0.52 1.57 -1.89 0.61 116.57 117.08 3hy2 h LYS 92 Ca -0.49 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 3hy2 h LYS 92 Cb 1.36 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.62 3hy2 h LYS 92 CO 0.51 0.30 0.00 1.57 -0.57 0.00 0.00 179.45 181.26 3hy2 h LYS 93 N 0.27 0.00 -0.52 3.15 2.10 -1.91 -0.54 116.57 119.12 3hy2 h LYS 93 Ca 0.06 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.64 3hy2 h LYS 93 Cb 0.19 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.47 3hy2 h LYS 93 CO 0.00 0.00 0.07 1.04 -2.00 0.00 0.00 179.45 178.57 3hy2 n GLN 94 N -2.53 3.87 -1.23 0.07 6.02 -0.63 -4.92 117.38 118.02 3hy2 n GLN 94 Ca 0.01 -3.06 -0.06 0.00 -0.01 0.00 0.00 57.00 53.87 3hy2 n GLN 94 Cb 0.21 -2.12 -0.03 0.00 1.02 0.00 0.00 30.24 29.32 3hy2 n GLN 94 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hy2 n GLY 95 N -0.01 0.83 3.96 1.08 0.00 -0.21 -4.90 105.19 105.94 3hy2 n GLY 95 Ca 0.30 -0.76 -0.24 0.00 0.00 0.00 0.00 46.02 45.32 3hy2 n GLY 95 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hy2 s GLY 96 N -2.92 1.76 0.02 -0.02 0.00 0.11 -4.63 107.32 101.64 3hy2 s GLY 96 Ca 0.00 -1.30 -0.08 0.00 0.00 0.00 0.00 44.72 43.34 3hy2 s GLY 96 CO 0.00 -0.86 0.95 1.41 0.00 0.00 0.00 173.10 174.60 3hy2 h LEU 97 N -0.47 0.56 0.00 0.66 3.38 -1.27 -3.36 115.31 114.82 3hy2 h LEU 97 Ca -0.41 -0.68 0.07 0.00 0.09 0.00 0.00 57.88 56.95 3hy2 h LEU 97 Cb 1.29 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 3hy2 h LEU 97 CO 0.50 1.55 -0.09 0.61 0.09 0.00 0.00 178.44 181.09 3hy2 n GLY 98 N 1.67 -1.75 3.77 0.83 0.00 -1.07 -4.84 105.19 103.80 3hy2 n GLY 98 Ca -0.16 -1.27 -0.39 0.00 0.00 0.00 0.00 46.02 44.20 3hy2 n GLY 98 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hy2 s PRO 99 N -0.60 4.14 0.02 1.61 0.02 -1.25 -4.56 135.00 134.38 3hy2 s PRO 99 Ca 0.00 2.06 0.06 0.00 0.02 0.00 0.00 61.00 63.14 3hy2 s PRO 99 Cb 0.00 -2.85 -0.03 0.00 0.02 0.00 0.00 34.50 31.64 3hy2 s PRO 99 CO 0.00 -0.32 -0.14 -1.64 -0.33 0.00 0.00 177.00 174.57 3hy2 s MET 100 N -2.08 2.25 0.00 5.54 -1.94 -1.26 -5.00 119.30 116.81 3hy2 s MET 100 Ca 0.54 -0.88 0.24 0.00 -1.71 0.00 0.00 55.69 53.88 3hy2 s MET 100 Cb -0.36 -2.30 0.36 0.00 2.01 0.00 0.00 34.83 34.54 3hy2 s MET 100 CO 0.47 0.56 1.36 0.09 -0.01 0.00 0.00 175.02 177.49 3hy2 n ASN 101 N 1.58 3.06 -4.18 3.03 3.02 -1.26 -4.49 115.26 116.02 3hy2 n ASN 101 Ca -0.16 -1.96 -0.19 0.00 -0.03 0.00 0.00 54.58 52.24 3hy2 n ASN 101 Cb 0.52 -0.11 -0.12 0.00 -0.61 0.00 0.00 39.78 39.46 3hy2 n ASN 101 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3hy2 s ILE 102 N -1.78 1.17 0.46 2.41 -4.36 -1.26 -4.84 121.20 112.99 3hy2 s ILE 102 Ca 0.33 -1.28 -0.22 0.00 -0.26 0.00 0.00 60.65 59.22 3hy2 s ILE 102 Cb 0.21 -1.11 -0.09 0.00 1.25 0.00 0.00 42.46 42.73 3hy2 s ILE 102 CO 0.31 -0.18 1.05 -2.16 0.24 0.00 0.00 174.94 174.20 3hy2 s PRO 103 N -1.67 3.91 -0.26 0.37 0.05 -1.26 -4.34 135.00 131.80 3hy2 s PRO 103 Ca -0.01 1.44 0.03 0.00 0.05 0.00 0.00 61.00 62.51 3hy2 s PRO 103 Cb -0.10 -2.26 0.06 0.00 0.05 0.00 0.00 34.50 32.25 3hy2 s PRO 103 CO 0.02 -0.35 -0.11 -0.51 0.05 0.00 0.00 177.00 176.11 3hy2 s LEU 104 N -3.18 3.35 0.31 -3.56 1.43 -0.54 -2.05 118.68 114.43 3hy2 s LEU 104 Ca 0.64 -1.37 -0.28 0.00 -1.03 0.00 0.00 54.13 52.09 3hy2 s LEU 104 Cb -0.19 -1.51 -0.09 0.00 0.03 0.00 0.00 46.19 44.42 3hy2 s LEU 104 CO 0.23 -0.19 1.05 -0.69 0.23 0.00 0.00 176.35 176.98 3hy2 s VAL 105 N 1.13 3.70 -0.22 -1.59 1.01 0.87 -0.91 120.40 124.40 3hy2 s VAL 105 Ca -0.09 1.58 -0.09 0.00 0.00 0.00 0.00 61.98 63.39 3hy2 s VAL 105 Cb -0.20 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 3hy2 s VAL 105 CO -0.05 0.27 0.11 -0.55 0.00 0.00 0.00 175.10 174.88 3hy2 s SER 106 N -1.17 5.80 -0.51 3.32 0.15 -0.26 -2.51 113.70 118.51 3hy2 s SER 106 Ca 0.48 0.06 0.06 0.00 0.70 0.00 0.00 55.95 57.25 3hy2 s SER 106 Cb -0.27 -2.02 0.36 0.00 -1.71 0.00 0.00 66.02 62.38 3hy2 s SER 106 CO 0.35 0.10 0.96 -0.67 1.20 0.00 0.00 173.24 175.18 3hy2 n ASP 107 N 4.04 3.96 0.23 5.45 2.03 0.49 -4.42 116.55 128.32 3hy2 n ASP 107 Ca -0.16 -3.57 0.10 0.00 0.52 0.00 0.00 54.79 51.68 3hy2 n ASP 107 Cb 0.52 -0.54 0.55 0.00 -0.72 0.00 0.00 41.12 40.93 3hy2 n ASP 107 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3hy2 h PRO 108 N 2.89 0.00 0.00 -0.67 0.13 -1.78 -0.09 132.00 132.48 3hy2 h PRO 108 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3hy2 h PRO 108 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 3hy2 h PRO 108 CO 0.77 0.22 0.00 1.63 -0.23 0.00 0.00 178.00 180.39 3hy2 n LYS 109 N -3.61 0.60 -0.95 0.86 5.02 -1.26 -4.91 118.16 113.91 3hy2 n LYS 109 Ca -0.01 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3hy2 n LYS 109 Cb 0.35 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 3hy2 n LYS 109 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3hy2 n ARG 110 N -1.19 -1.66 0.11 1.97 3.00 -0.05 -4.87 116.66 113.97 3hy2 n ARG 110 Ca 0.17 0.42 -0.04 0.00 -0.01 0.00 0.00 57.85 58.39 3hy2 n ARG 110 Cb 0.19 -4.81 0.13 0.00 0.00 0.00 0.00 32.46 27.97 3hy2 n ARG 110 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.63 179.42 3hy2 h THR 111 N 0.00 1.43 -0.02 0.55 1.35 -1.91 -1.83 112.91 112.48 3hy2 h THR 111 Ca 0.00 -2.13 -0.01 0.00 -0.55 0.00 0.00 66.41 63.73 3hy2 h THR 111 Cb 0.83 2.12 -0.00 0.00 -1.73 0.00 0.00 68.15 69.38 3hy2 h THR 111 CO 0.00 0.62 -0.01 0.40 -0.25 0.00 0.00 175.52 176.27 3hy2 h ILE 112 N 0.08 1.36 -0.75 6.82 2.04 -1.89 -0.82 117.51 124.36 3hy2 h ILE 112 Ca -0.01 -1.09 0.10 0.00 1.00 0.00 0.00 64.86 64.86 3hy2 h ILE 112 Cb 1.15 2.06 -0.08 0.00 -0.74 0.00 0.00 36.82 39.21 3hy2 h ILE 112 CO 0.09 0.29 0.38 0.00 0.00 0.00 0.00 178.15 178.91 3hy2 h ALA 113 N 0.56 1.06 0.06 1.87 0.00 -1.91 -0.64 119.26 120.26 3hy2 h ALA 113 Ca 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hy2 h ALA 113 Cb 0.48 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3hy2 h ALA 113 CO 0.00 -0.04 -0.03 1.96 0.00 0.00 0.00 179.25 181.15 3hy2 h GLN 114 N 0.63 -0.08 -0.91 0.00 4.20 -1.29 0.20 115.11 117.87 3hy2 h GLN 114 Ca 0.38 0.01 0.16 0.00 0.06 0.00 0.00 58.65 59.26 3hy2 h GLN 114 Cb 0.42 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.15 3hy2 h GLN 114 CO -0.29 -0.04 0.58 -0.44 -0.67 0.00 0.00 178.83 177.98 3hy2 h ASP 115 N -0.10 0.61 -0.23 1.46 3.32 -0.55 -0.91 116.42 120.01 3hy2 h ASP 115 Ca -0.01 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3hy2 h ASP 115 Cb 0.08 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3hy2 h ASP 115 CO 0.01 0.28 0.00 -1.22 -1.72 0.00 0.00 179.24 176.60 3hy2 n TYR 116 N -4.57 0.30 -2.29 4.55 4.02 -0.30 0.38 117.16 119.25 3hy2 n TYR 116 Ca 0.18 -0.15 -0.20 0.00 -0.01 0.00 0.00 57.90 57.73 3hy2 n TYR 116 Cb 0.54 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.84 3hy2 n TYR 116 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hy2 n GLY 117 N 1.24 -0.20 0.38 2.72 0.00 -0.35 -4.79 105.19 104.19 3hy2 n GLY 117 Ca 0.17 -0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.19 3hy2 n GLY 117 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hy2 n VAL 118 N -3.85 1.62 -2.61 1.61 0.24 -0.02 -4.22 118.33 111.10 3hy2 n VAL 118 Ca -0.23 -1.63 -0.43 0.00 -2.04 0.00 0.00 64.34 60.01 3hy2 n VAL 118 Cb 0.67 0.07 -0.02 0.00 -1.47 0.00 0.00 33.84 33.09 3hy2 n VAL 118 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3hy2 s LEU 119 N -2.08 4.22 -0.79 1.34 1.98 -1.20 -0.12 118.68 122.04 3hy2 s LEU 119 Ca 0.26 1.58 -0.21 0.00 -2.89 0.00 0.00 54.13 52.86 3hy2 s LEU 119 Cb 0.20 -3.55 0.09 0.00 0.66 0.00 0.00 46.19 43.59 3hy2 s LEU 119 CO 0.06 -0.55 1.08 -0.75 -1.89 0.00 0.00 176.35 174.30 3hy2 s LYS 120 N 2.41 3.33 0.32 1.98 2.20 0.59 -4.90 119.74 125.67 3hy2 s LYS 120 Ca 0.50 -1.16 0.05 0.00 -0.36 0.00 0.00 55.97 55.00 3hy2 s LYS 120 Cb -0.19 -4.57 0.55 0.00 -1.51 0.00 0.00 37.83 32.10 3hy2 s LYS 120 CO 0.16 -1.85 1.79 0.00 -0.36 0.00 0.00 175.35 175.09 3hy2 h ALA 121 N 9.35 1.25 -0.27 3.13 0.00 -1.94 0.36 119.26 131.15 3hy2 h ALA 121 Ca -0.09 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3hy2 h ALA 121 Cb 1.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3hy2 h ALA 121 CO 1.18 0.49 0.18 0.38 0.00 0.00 0.00 179.25 181.48 3hy2 h ASP 122 N 0.34 0.31 0.69 0.00 3.04 -1.95 -3.15 116.42 115.69 3hy2 h ASP 122 Ca 0.06 -0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.83 3hy2 h ASP 122 Cb 0.57 -0.08 0.00 0.00 -1.04 0.00 0.00 39.33 38.78 3hy2 h ASP 122 CO 0.04 0.23 -0.63 -0.62 -2.04 0.00 0.00 179.24 176.22 3hy2 n GLU 123 N -4.90 0.19 -2.55 4.15 1.02 -0.92 -4.97 120.64 112.67 3hy2 n GLU 123 Ca -0.02 0.04 -0.20 0.00 -0.02 0.00 0.00 57.16 56.97 3hy2 n GLU 123 Cb 0.03 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 29.84 3hy2 n GLU 123 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hy2 n GLY 124 N 1.40 -0.44 3.36 0.62 0.00 0.07 -5.02 105.19 105.18 3hy2 n GLY 124 Ca 0.04 -0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 3hy2 n GLY 124 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3hy2 s ILE 125 N -3.02 1.27 0.16 -0.61 -4.36 -1.19 -4.93 121.20 108.52 3hy2 s ILE 125 Ca 0.08 -2.07 -0.09 0.00 -0.26 0.00 0.00 60.65 58.31 3hy2 s ILE 125 Cb -0.04 -2.33 -0.06 0.00 1.25 0.00 0.00 42.46 41.28 3hy2 s ILE 125 CO 0.10 -0.36 0.47 -0.94 0.24 0.00 0.00 174.94 174.45 3hy2 s SER 126 N -3.34 6.63 1.05 4.36 1.04 -1.26 -0.30 113.70 121.88 3hy2 s SER 126 Ca 0.28 0.84 -0.14 0.00 0.48 0.00 0.00 55.95 57.41 3hy2 s SER 126 Cb 0.05 -2.19 0.22 0.00 0.10 0.00 0.00 66.02 64.19 3hy2 s SER 126 CO 0.09 0.05 1.10 -0.36 0.98 0.00 0.00 173.24 175.09 3hy2 s PHE 127 N -1.61 1.75 -1.23 5.02 0.40 0.84 -3.65 117.98 119.49 3hy2 s PHE 127 Ca 0.41 0.87 -0.18 0.00 -0.60 0.00 0.00 56.93 57.43 3hy2 s PHE 127 Cb -0.13 -3.31 -0.01 0.00 0.51 0.00 0.00 43.02 40.08 3hy2 s PHE 127 CO 0.21 -3.16 1.99 0.54 0.70 0.00 0.00 175.22 175.50 3hy2 n ARG 128 N -4.34 2.48 -3.56 0.44 1.74 -1.12 -4.32 116.66 107.98 3hy2 n ARG 128 Ca 0.06 -2.59 -0.34 0.00 -0.77 0.00 0.00 57.85 54.21 3hy2 n ARG 128 Cb 0.58 -3.32 -0.05 0.00 -1.02 0.00 0.00 32.46 28.64 3hy2 n ARG 128 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3hy2 s GLY 129 N 4.31 2.34 -0.01 -0.13 0.00 -1.25 -1.27 107.32 111.31 3hy2 s GLY 129 Ca 0.54 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.89 3hy2 s GLY 129 CO 0.03 -0.16 0.01 -2.27 0.00 0.00 0.00 173.10 170.71 3hy2 s LEU 130 N -2.01 1.69 -0.05 0.66 0.20 0.14 -0.19 118.68 119.12 3hy2 s LEU 130 Ca 0.34 0.00 0.02 0.00 0.69 0.00 0.00 54.13 55.19 3hy2 s LEU 130 Cb -0.14 -0.05 0.02 0.00 -0.43 0.00 0.00 46.19 45.59 3hy2 s LEU 130 CO 0.19 -0.04 -0.08 -0.36 -0.29 0.00 0.00 176.35 175.77 3hy2 s PHE 131 N 0.36 1.05 -0.23 5.38 0.40 0.73 -0.74 117.98 124.92 3hy2 s PHE 131 Ca -0.03 -0.34 -0.07 0.00 -0.60 0.00 0.00 56.93 55.88 3hy2 s PHE 131 Cb -0.05 -0.83 -0.03 0.00 0.51 0.00 0.00 43.02 42.62 3hy2 s PHE 131 CO -0.01 -0.22 0.07 0.42 0.70 0.00 0.00 175.22 176.19 3hy2 s ILE 132 N 0.74 4.46 -0.10 0.64 1.01 -0.67 -1.08 121.20 126.19 3hy2 s ILE 132 Ca -0.12 -0.13 0.04 0.00 0.00 0.00 0.00 60.65 60.44 3hy2 s ILE 132 Cb -0.15 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.26 3hy2 s ILE 132 CO 0.02 0.37 -0.24 -0.63 0.00 0.00 0.00 174.94 174.46 3hy2 s ILE 133 N 1.29 2.04 0.94 2.92 1.01 -0.02 -0.61 121.20 128.77 3hy2 s ILE 133 Ca 0.05 -1.01 -0.15 0.00 0.00 0.00 0.00 60.65 59.54 3hy2 s ILE 133 Cb -0.15 -1.77 0.18 0.00 0.01 0.00 0.00 42.46 40.74 3hy2 s ILE 133 CO 0.04 0.56 1.28 1.51 0.00 0.00 0.00 174.94 178.32 3hy2 s ASP 134 N 0.36 3.27 0.09 3.58 1.47 0.08 -0.58 116.67 124.94 3hy2 s ASP 134 Ca -0.19 0.41 0.12 0.00 1.18 0.00 0.00 52.55 54.07 3hy2 s ASP 134 Cb -0.18 -0.56 0.54 0.00 -0.34 0.00 0.00 42.92 42.38 3hy2 s ASP 134 CO 0.09 -2.65 1.37 -0.90 0.68 0.00 0.00 175.17 173.76 3hy2 n ASP 135 N -3.74 0.19 -0.72 2.11 5.75 -1.23 -0.92 116.55 117.98 3hy2 n ASP 135 Ca 0.13 0.57 0.13 0.00 -0.01 0.00 0.00 54.79 55.61 3hy2 n ASP 135 Cb 0.60 -0.60 0.27 0.00 -1.03 0.00 0.00 41.12 40.36 3hy2 n ASP 135 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3hy2 n LYS 136 N -1.73 1.96 -0.51 0.11 5.02 -1.26 0.06 118.16 121.82 3hy2 n LYS 136 Ca 0.01 -1.45 0.00 0.00 -2.02 0.00 0.00 58.31 54.85 3hy2 n LYS 136 Cb 0.10 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 3hy2 n LYS 136 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hy2 n GLY 137 N 1.28 0.75 3.74 0.72 0.00 -0.10 -5.00 105.19 106.58 3hy2 n GLY 137 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 3hy2 n GLY 137 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hy2 s ILE 138 N -2.21 5.06 0.02 -0.61 -1.09 -1.26 -0.37 121.20 120.74 3hy2 s ILE 138 Ca 0.00 1.12 -0.30 0.00 -2.23 0.00 0.00 60.65 59.24 3hy2 s ILE 138 Cb 0.00 -3.88 -0.06 0.00 -1.58 0.00 0.00 42.46 36.93 3hy2 s ILE 138 CO 0.00 0.37 1.50 -0.22 -1.23 0.00 0.00 174.94 175.36 3hy2 s LEU 139 N 0.24 4.33 -0.05 2.97 2.96 -0.07 -0.74 118.68 128.33 3hy2 s LEU 139 Ca 0.29 2.25 0.08 0.00 -0.22 0.00 0.00 54.13 56.53 3hy2 s LEU 139 Cb -0.17 -3.56 -0.12 0.00 0.50 0.00 0.00 46.19 42.85 3hy2 s LEU 139 CO 0.14 -0.79 0.10 0.54 -1.32 0.00 0.00 176.35 175.02 3hy2 n ARG 140 N 5.57 1.54 -3.70 1.98 5.12 0.22 -0.18 116.66 127.20 3hy2 n ARG 140 Ca 0.14 -0.04 -0.12 0.00 -1.93 0.00 0.00 57.85 55.91 3hy2 n ARG 140 Cb 0.42 -1.20 -0.10 0.00 -1.16 0.00 0.00 32.46 30.42 3hy2 n ARG 140 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 3hy2 s GLN 141 N -2.38 0.48 -0.12 5.56 -0.44 -1.06 -4.92 119.66 116.77 3hy2 s GLN 141 Ca -0.04 0.74 0.03 0.00 -2.50 0.00 0.00 55.36 53.59 3hy2 s GLN 141 Cb 0.04 0.12 0.00 0.00 -1.64 0.00 0.00 33.01 31.53 3hy2 s GLN 141 CO 0.34 -0.11 -0.21 0.42 0.50 0.00 0.00 175.29 176.22 3hy2 s ILE 142 N 0.87 2.21 -0.09 -2.34 1.01 -1.26 -1.68 121.20 119.92 3hy2 s ILE 142 Ca -0.05 -0.95 -0.01 0.00 0.00 0.00 0.00 60.65 59.64 3hy2 s ILE 142 Cb -0.06 -1.87 0.03 0.00 0.01 0.00 0.00 42.46 40.57 3hy2 s ILE 142 CO -0.07 0.55 -0.03 -0.89 0.00 0.00 0.00 174.94 174.50 3hy2 s THR 143 N 0.54 0.67 -0.10 2.92 2.01 0.08 -5.01 115.64 116.75 3hy2 s THR 143 Ca -0.13 -0.07 -0.01 0.00 0.31 0.00 0.00 61.69 61.80 3hy2 s THR 143 Cb -0.17 -0.76 0.03 0.00 0.01 0.00 0.00 72.50 71.61 3hy2 s THR 143 CO 0.04 0.31 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.53 3hy2 s VAL 144 N 1.81 0.85 -0.07 3.82 1.01 -1.26 0.27 120.40 126.83 3hy2 s VAL 144 Ca 0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 3hy2 s VAL 144 Cb -0.12 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 3hy2 s VAL 144 CO -0.06 0.34 0.10 0.20 0.00 0.00 0.00 175.10 175.68 3hy2 s ASN 145 N 1.78 5.98 0.85 3.32 -0.87 -0.40 -4.97 114.94 120.63 3hy2 s ASN 145 Ca 0.05 0.31 -0.14 0.00 -1.57 0.00 0.00 52.86 51.52 3hy2 s ASN 145 Cb -0.12 -1.84 0.04 0.00 -0.02 0.00 0.00 41.25 39.31 3hy2 s ASN 145 CO -0.07 0.35 0.74 -0.67 -2.57 0.00 0.00 177.10 174.88 3hy2 n ASP 146 N 1.70 -0.72 -0.31 -1.22 4.64 -1.26 -2.81 116.55 116.58 3hy2 n ASP 146 Ca -0.17 0.48 0.12 0.00 -1.38 0.00 0.00 54.79 53.84 3hy2 n ASP 146 Cb 0.54 -1.32 0.34 0.00 -1.04 0.00 0.00 41.12 39.64 3hy2 n ASP 146 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 3hy2 h LEU 147 N -1.08 0.73 0.00 -2.67 3.38 -1.98 -3.05 115.31 110.64 3hy2 h LEU 147 Ca -0.45 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3hy2 h LEU 147 Cb 1.30 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3hy2 h LEU 147 CO 0.40 0.35 0.00 -0.81 0.09 0.00 0.00 178.44 178.47 3hy2 n PRO 148 N -4.61 0.11 -4.98 1.13 -0.04 -1.26 -4.81 135.00 120.54 3hy2 n PRO 148 Ca 0.19 0.11 -0.31 0.00 -0.04 0.00 0.00 63.50 63.45 3hy2 n PRO 148 Cb 0.48 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.27 3hy2 n PRO 148 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3hy2 s VAL 149 N -2.84 1.95 0.77 0.52 1.01 -1.15 -5.13 120.40 115.52 3hy2 s VAL 149 Ca 0.14 -0.94 -0.09 0.00 0.00 0.00 0.00 61.98 61.09 3hy2 s VAL 149 Cb 0.14 -1.70 0.09 0.00 0.00 0.00 0.00 36.38 34.91 3hy2 s VAL 149 CO 0.37 0.53 1.10 -0.83 0.00 0.00 0.00 175.10 176.27 3hy2 s GLY 150 N 0.53 1.68 0.21 4.51 0.00 -1.26 -4.79 107.32 108.20 3hy2 s GLY 150 Ca -0.15 -0.96 0.03 0.00 0.00 0.00 0.00 44.72 43.65 3hy2 s GLY 150 CO 0.05 -0.46 0.35 0.50 0.00 0.00 0.00 173.10 173.54 3hy2 s ARG 151 N -5.42 3.45 -0.22 2.90 0.52 -1.26 -5.08 118.95 113.84 3hy2 s ARG 151 Ca 0.63 -0.63 -0.08 0.00 -0.52 0.00 0.00 55.73 55.14 3hy2 s ARG 151 Cb -0.09 -2.90 -0.04 0.00 0.52 0.00 0.00 34.95 32.44 3hy2 s ARG 151 CO 0.47 0.44 0.08 0.45 0.02 0.00 0.00 175.30 176.76 3hy2 s SER 152 N -3.62 5.47 0.16 0.23 0.15 -1.26 -4.97 113.70 109.86 3hy2 s SER 152 Ca 0.35 -0.05 -0.14 0.00 0.70 0.00 0.00 55.95 56.81 3hy2 s SER 152 Cb -0.10 -1.96 0.05 0.00 -1.71 0.00 0.00 66.02 62.29 3hy2 s SER 152 CO 0.29 0.06 1.77 0.58 1.20 0.00 0.00 173.24 177.15 3hy2 h VAL 153 N 5.20 1.18 -0.27 4.45 2.07 -1.96 -2.04 116.25 124.88 3hy2 h VAL 153 Ca -0.37 -0.45 0.05 0.00 0.82 0.00 0.00 66.70 66.75 3hy2 h VAL 153 Cb 1.17 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.44 3hy2 h VAL 153 CO 0.63 0.19 -0.03 0.44 0.02 0.00 0.00 177.57 178.82 3hy2 h ASP 154 N 0.68 -0.18 -0.71 0.57 3.45 -1.99 -0.92 116.42 117.32 3hy2 h ASP 154 Ca 0.18 0.07 0.05 0.00 0.43 0.00 0.00 57.03 57.76 3hy2 h ASP 154 Cb 0.05 0.14 -0.05 0.00 -0.56 0.00 0.00 39.33 38.91 3hy2 h ASP 154 CO -0.03 -0.05 0.43 -0.08 -1.57 0.00 0.00 179.24 177.93 3hy2 h GLU 155 N 0.04 0.78 -0.62 3.56 4.57 -1.97 -1.46 114.58 119.49 3hy2 h GLU 155 Ca 0.13 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.22 3hy2 h GLU 155 Cb 0.18 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.57 3hy2 h GLU 155 CO -0.25 0.52 0.22 1.15 -1.18 0.00 0.00 179.01 179.47 3hy2 h THR 156 N 0.81 1.24 -0.34 0.32 2.02 -1.00 -1.22 112.91 114.74 3hy2 h THR 156 Ca 0.30 -0.79 -0.13 0.00 0.77 0.00 0.00 66.41 66.56 3hy2 h THR 156 Cb 0.11 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 3hy2 h THR 156 CO -0.15 0.31 -0.31 -0.07 0.37 0.00 0.00 175.52 175.66 3hy2 h LEU 157 N 0.88 0.77 -0.19 2.58 3.38 -1.09 -0.97 115.31 120.67 3hy2 h LEU 157 Ca 0.20 -0.31 0.05 0.00 0.09 0.00 0.00 57.88 57.92 3hy2 h LEU 157 Cb 0.25 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 3hy2 h LEU 157 CO -0.01 1.02 -0.21 -0.09 0.09 0.00 0.00 178.44 179.24 3hy2 h ARG 158 N 0.62 -0.23 -0.16 1.13 2.43 -0.98 -1.88 114.38 115.31 3hy2 h ARG 158 Ca 0.07 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3hy2 h ARG 158 Cb 0.84 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.43 3hy2 h ARG 158 CO 0.07 -0.15 0.10 -0.07 -1.51 0.00 0.00 179.97 178.40 3hy2 h LEU 159 N -0.24 0.20 -0.15 3.80 3.38 -1.03 -2.12 115.31 119.15 3hy2 h LEU 159 Ca 0.12 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.07 3hy2 h LEU 159 Cb 0.42 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3hy2 h LEU 159 CO -0.33 0.19 -0.06 0.58 0.09 0.00 0.00 178.44 178.91 3hy2 h VAL 160 N 0.18 0.80 -0.70 1.22 2.07 -1.03 -1.21 116.25 117.58 3hy2 h VAL 160 Ca 0.06 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.55 3hy2 h VAL 160 Cb 0.03 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 3hy2 h VAL 160 CO -0.01 0.00 0.31 1.56 0.02 0.00 0.00 177.57 179.45 3hy2 h GLN 161 N -0.03 1.01 -0.49 1.57 4.20 -1.36 -1.58 115.11 118.44 3hy2 h GLN 161 Ca 0.08 -0.15 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 3hy2 h GLN 161 Cb 0.15 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 3hy2 h GLN 161 CO -0.18 0.80 0.09 0.00 -0.67 0.00 0.00 178.83 178.87 3hy2 h ALA 162 N 1.34 0.64 -0.31 3.87 0.00 -0.98 -0.52 119.26 123.31 3hy2 h ALA 162 Ca 0.24 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3hy2 h ALA 162 Cb 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3hy2 h ALA 162 CO -0.03 0.37 0.12 0.74 0.00 0.00 0.00 179.25 180.45 3hy2 h PHE 163 N 0.67 0.47 -0.46 0.00 -1.00 -1.05 -3.09 116.94 112.48 3hy2 h PHE 163 Ca 0.15 -0.04 -0.03 0.00 2.81 0.00 0.00 57.97 60.86 3hy2 h PHE 163 Cb 0.38 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 39.78 3hy2 h PHE 163 CO 0.03 0.45 0.16 1.96 -1.61 0.00 0.00 178.31 179.30 3hy2 h GLN 164 N 0.34 0.67 0.08 1.51 4.20 -1.24 0.07 115.11 120.74 3hy2 h GLN 164 Ca 0.10 -0.10 0.02 0.00 0.06 0.00 0.00 58.65 58.73 3hy2 h GLN 164 Cb 0.18 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 3hy2 h GLN 164 CO -0.01 0.57 -0.22 0.35 -0.67 0.00 0.00 178.83 178.85 3hy2 h PHE 165 N 0.66 -0.57 -0.14 2.96 3.57 -1.01 -0.79 116.94 121.61 3hy2 h PHE 165 Ca 0.16 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.52 3hy2 h PHE 165 Cb 0.17 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 3hy2 h PHE 165 CO 0.01 -0.31 -0.55 1.15 -2.23 0.00 0.00 178.31 176.38 3hy2 h THR 166 N -0.39 1.34 -0.33 4.41 2.02 -1.45 -2.79 112.91 115.73 3hy2 h THR 166 Ca 0.04 -1.83 0.03 0.00 0.77 0.00 0.00 66.41 65.42 3hy2 h THR 166 Cb 0.43 1.84 -0.03 0.00 -1.74 0.00 0.00 68.15 68.64 3hy2 h THR 166 CO -0.14 0.56 0.13 0.44 0.37 0.00 0.00 175.52 176.87 3hy2 h ASP 167 N 0.33 0.15 -0.27 4.18 3.32 -0.83 -2.81 116.42 120.49 3hy2 h ASP 167 Ca 0.00 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 3hy2 h ASP 167 Cb 1.07 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 3hy2 h ASP 167 CO 0.10 0.12 0.07 0.11 -1.72 0.00 0.00 179.24 177.93 3hy2 h LYS 168 N 0.28 0.51 0.00 3.56 1.57 -1.06 -1.31 116.57 120.11 3hy2 h LYS 168 Ca 0.14 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3hy2 h LYS 168 Cb 0.10 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3hy2 h LYS 168 CO -0.14 0.48 0.00 0.72 -0.57 0.00 0.00 179.45 179.95 3hy2 n HIS 169 N -4.34 0.00 1.15 -1.35 8.25 -1.06 -2.27 115.22 115.61 3hy2 n HIS 169 Ca 0.02 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.61 3hy2 n HIS 169 Cb 0.19 -0.18 0.42 0.00 1.12 0.00 0.00 29.99 31.54 3hy2 n HIS 169 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hy2 n GLY 170 N 0.36 -1.06 3.54 -1.41 0.00 -0.49 -4.64 105.19 101.48 3hy2 n GLY 170 Ca 0.12 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 3hy2 n GLY 170 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hy2 s GLU 171 N -2.76 3.80 0.10 1.61 2.02 -0.96 -4.94 118.70 117.57 3hy2 s GLU 171 Ca 0.19 -1.70 0.02 0.00 0.02 0.00 0.00 54.97 53.49 3hy2 s GLU 171 Cb 0.19 -5.33 -0.04 0.00 0.10 0.00 0.00 34.13 29.05 3hy2 s GLU 171 CO 0.58 -2.11 -0.07 0.14 0.02 0.00 0.00 175.26 173.82 3hy2 s VAL 172 N 3.98 0.73 0.24 2.63 -7.23 -1.26 -5.11 120.40 114.37 3hy2 s VAL 172 Ca 0.47 -1.88 0.03 0.00 -1.81 0.00 0.00 61.98 58.79 3hy2 s VAL 172 Cb 0.00 -1.61 -0.05 0.00 0.56 0.00 0.00 36.38 35.28 3hy2 s VAL 172 CO -0.02 -0.82 0.02 -0.94 -0.31 0.00 0.00 175.10 173.03 3hy2 s SER 173 N -2.93 1.71 0.65 4.85 1.04 -1.26 -5.13 113.70 112.63 3hy2 s SER 173 Ca 0.11 -1.26 -0.17 0.00 0.48 0.00 0.00 55.95 55.11 3hy2 s SER 173 Cb 0.04 0.04 -0.00 0.00 0.10 0.00 0.00 66.02 66.19 3hy2 s SER 173 CO -0.04 -0.57 1.21 -2.16 0.98 0.00 0.00 173.24 172.67 3hy2 s PRO 174 N -3.90 2.62 0.24 4.02 0.04 -1.26 -4.91 135.00 131.85 3hy2 s PRO 174 Ca 0.30 1.80 -0.07 0.00 0.04 0.00 0.00 61.00 63.08 3hy2 s PRO 174 Cb 0.06 -1.89 0.24 0.00 0.04 0.00 0.00 34.50 32.96 3hy2 s PRO 174 CO 0.10 -1.48 1.92 0.00 0.04 0.00 0.00 177.00 177.58 3hy2 h ALA 175 N 0.37 1.22 -1.69 8.56 0.00 -2.08 -3.46 119.26 122.18 3hy2 h ALA 175 Ca -0.49 -0.07 -0.29 0.00 0.00 0.00 0.00 54.91 54.06 3hy2 h ALA 175 Cb 1.30 -0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 3hy2 h ALA 175 CO 0.53 0.62 -0.34 0.41 0.00 0.00 0.00 179.25 180.47 3hy2 n GLY 176 N -1.35 0.21 2.88 0.00 0.00 -1.26 -5.01 105.19 100.65 3hy2 n GLY 176 Ca 0.11 -0.30 -0.19 0.00 0.00 0.00 0.00 46.02 45.64 3hy2 n GLY 176 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3hy2 s TRP 177 N -2.67 0.64 -0.15 1.61 -0.00 -1.26 -5.14 118.94 111.97 3hy2 s TRP 177 Ca 0.00 -0.16 0.01 0.00 -0.00 0.00 0.00 56.10 55.96 3hy2 s TRP 177 Cb 0.00 -0.60 0.00 0.00 -0.00 0.00 0.00 33.47 32.87 3hy2 s TRP 177 CO 0.00 -0.17 -0.18 0.15 -0.00 0.00 0.00 176.95 176.75 3hy2 s LYS 178 N 0.93 3.13 0.58 5.86 1.02 -1.26 -5.12 119.74 124.89 3hy2 s LYS 178 Ca -0.11 -0.79 -0.19 0.00 0.02 0.00 0.00 55.97 54.90 3hy2 s LYS 178 Cb -0.14 -2.55 -0.04 0.00 -0.52 0.00 0.00 37.83 34.58 3hy2 s LYS 178 CO -0.00 -0.01 1.17 -2.14 -0.92 0.00 0.00 175.35 173.45 3hy2 s PRO 179 N 0.84 3.08 -0.02 -1.68 0.02 -1.26 -4.87 135.00 131.11 3hy2 s PRO 179 Ca -0.05 1.70 -0.07 0.00 0.02 0.00 0.00 61.00 62.60 3hy2 s PRO 179 Cb -0.15 -1.96 0.02 0.00 0.02 0.00 0.00 34.50 32.43 3hy2 s PRO 179 CO -0.01 -1.09 0.31 0.41 -0.33 0.00 0.00 177.00 176.29 3hy2 n GLY 180 N 0.28 0.35 0.36 0.52 0.00 -1.26 -4.99 105.19 100.45 3hy2 n GLY 180 Ca 0.13 -0.85 0.18 0.00 0.00 0.00 0.00 46.02 45.48 3hy2 n GLY 180 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hy2 h SER 181 N 0.46 0.00 1.19 1.61 4.64 -2.00 -0.85 113.55 118.60 3hy2 h SER 181 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3hy2 h SER 181 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3hy2 h SER 181 CO 0.07 0.00 0.00 -2.24 -0.87 0.00 0.00 176.83 173.79 3hy2 h ASP 182 N 0.00 0.00 -0.02 4.97 2.03 -1.95 -3.29 116.42 118.16 3hy2 h ASP 182 Ca 0.15 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.45 3hy2 h ASP 182 Cb 0.75 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.25 3hy2 h ASP 182 CO -0.00 0.00 -0.04 0.35 -1.03 0.00 0.00 179.24 178.51 3hy2 n THR 183 N -2.36 0.00 -1.79 1.15 -2.24 -0.33 -4.96 114.28 103.75 3hy2 n THR 183 Ca 0.04 -0.48 -0.41 0.00 -2.27 0.00 0.00 64.05 60.93 3hy2 n THR 183 Cb 0.35 1.37 -0.01 0.00 -2.10 0.00 0.00 70.33 69.94 3hy2 n THR 183 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3hy2 s ILE 184 N -1.62 2.06 0.30 2.28 1.01 -1.23 -4.93 121.20 119.07 3hy2 s ILE 184 Ca 0.21 0.06 -0.29 0.00 0.00 0.00 0.00 60.65 60.62 3hy2 s ILE 184 Cb 0.15 -3.04 -0.10 0.00 0.01 0.00 0.00 42.46 39.49 3hy2 s ILE 184 CO 0.26 0.01 1.41 0.00 0.00 0.00 0.00 174.94 176.62