#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 0.73 0.26 0.46 0.00 -1.26 -4.07 105.19 101.31 3hy2 n GLY 4 Ca 0.00 -0.76 0.02 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.46 2.18 -4.58 1.61 4.13 0.18 -4.89 115.26 111.44 3hy2 n ASN 5 Ca 0.00 -1.83 -0.42 0.00 1.68 0.00 0.00 54.58 54.01 3hy2 n ASN 5 Cb 0.00 -0.08 -0.03 0.00 -1.54 0.00 0.00 39.78 38.14 3hy2 n ASN 5 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hy2 s ALA 6 N -0.87 2.86 -0.09 5.41 0.00 -1.06 -4.62 121.76 123.39 3hy2 s ALA 6 Ca 0.09 -0.77 0.04 0.00 0.00 0.00 0.00 51.96 51.32 3hy2 s ALA 6 Cb 0.05 -4.09 0.00 0.00 0.00 0.00 0.00 23.12 19.08 3hy2 s ALA 6 CO 0.07 -2.87 -0.20 0.15 0.00 0.00 0.00 175.76 172.90 3hy2 s LYS 7 N 5.35 2.60 0.22 0.00 1.02 -1.26 -4.96 119.74 122.71 3hy2 s LYS 7 Ca 0.48 -0.73 -0.32 0.00 0.02 0.00 0.00 55.97 55.42 3hy2 s LYS 7 Cb -0.10 -2.01 -0.12 0.00 -0.52 0.00 0.00 37.83 35.08 3hy2 s LYS 7 CO 0.24 0.14 1.64 -0.89 -0.92 0.00 0.00 175.35 175.56 3hy2 n ILE 8 N 3.59 0.28 -0.64 2.17 2.08 -1.26 -1.74 119.36 123.83 3hy2 n ILE 8 Ca -0.20 -0.07 0.00 0.00 0.56 0.00 0.00 62.75 63.04 3hy2 n ILE 8 Cb 0.53 -1.85 0.00 0.00 -0.75 0.00 0.00 39.64 37.57 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 3.34 0.81 3.52 7.39 0.00 -0.04 -5.00 105.19 115.22 3hy2 n GLY 9 Ca 0.14 0.00 -0.26 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 -3.22 2.51 -0.06 1.61 3.76 -0.71 -4.88 115.29 114.29 3hy2 s HIS 10 Ca 0.00 -0.27 -0.38 0.00 -0.15 0.00 0.00 55.06 54.26 3hy2 s HIS 10 Cb 0.00 -1.22 -0.16 0.00 1.11 0.00 0.00 32.58 32.31 3hy2 s HIS 10 CO 0.00 0.52 1.56 -2.30 -0.85 0.00 0.00 174.74 173.67 3hy2 n PRO 11 N 0.03 1.31 -1.75 8.40 -0.02 -1.26 -1.28 135.00 140.43 3hy2 n PRO 11 Ca -0.11 0.48 -0.42 0.00 -2.02 0.00 0.00 63.50 61.43 3hy2 n PRO 11 Cb 0.56 -2.16 -0.01 0.00 -0.02 0.00 0.00 33.50 31.87 3hy2 n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hy2 n ALA 12 N 4.03 2.16 -1.66 3.55 0.00 0.13 -4.78 120.51 123.94 3hy2 n ALA 12 Ca 0.22 0.35 -0.48 0.00 0.00 0.00 0.00 53.44 53.53 3hy2 n ALA 12 Cb 0.18 -2.39 -0.05 0.00 0.00 0.00 0.00 19.45 17.19 3hy2 n ALA 12 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3hy2 n PRO 13 N 0.85 1.94 -1.82 0.00 -0.02 -1.26 -4.95 135.00 129.74 3hy2 n PRO 13 Ca 0.04 0.70 -0.32 0.00 -2.02 0.00 0.00 63.50 61.90 3hy2 n PRO 13 Cb 0.38 -2.47 0.03 0.00 -0.02 0.00 0.00 33.50 31.42 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 1.71 5.43 0.02 2.55 2.47 -1.26 -4.95 114.94 120.91 3hy2 s ASN 14 Ca 0.84 1.83 -0.06 0.00 0.42 0.00 0.00 52.86 55.89 3hy2 s ASN 14 Cb -0.75 -2.53 -0.01 0.00 -1.45 0.00 0.00 41.25 36.52 3hy2 s ASN 14 CO 0.44 -1.41 0.10 0.72 -3.72 0.00 0.00 177.10 173.23 3hy2 s PHE 15 N -2.57 0.13 -0.12 0.43 -0.12 -1.26 -4.98 117.98 109.49 3hy2 s PHE 15 Ca 0.63 -0.33 0.03 0.00 -0.05 0.00 0.00 56.93 57.21 3hy2 s PHE 15 Cb -0.17 -0.10 0.00 0.00 -0.63 0.00 0.00 43.02 42.12 3hy2 s PHE 15 CO 0.43 -0.31 -0.22 0.21 -0.05 0.00 0.00 175.22 175.28 3hy2 s LYS 16 N -1.87 3.07 0.09 1.99 2.20 -1.26 -2.71 119.74 121.25 3hy2 s LYS 16 Ca -0.11 -0.85 -0.14 0.00 -0.36 0.00 0.00 55.97 54.51 3hy2 s LYS 16 Cb -0.05 -2.41 0.02 0.00 -1.51 0.00 0.00 37.83 33.88 3hy2 s LYS 16 CO -0.01 0.08 0.33 0.00 -0.36 0.00 0.00 175.35 175.39 3hy2 s ALA 17 N 0.59 -0.72 -0.02 3.13 0.00 -0.29 -4.95 121.76 119.49 3hy2 s ALA 17 Ca -0.12 -0.13 -0.28 0.00 0.00 0.00 0.00 51.96 51.43 3hy2 s ALA 17 Cb -0.17 0.52 -0.03 0.00 0.00 0.00 0.00 23.12 23.45 3hy2 s ALA 17 CO 0.03 -0.54 0.91 0.99 0.00 0.00 0.00 175.76 177.16 3hy2 s THR 18 N -3.39 4.91 0.13 0.00 2.01 -1.26 -0.78 115.64 117.25 3hy2 s THR 18 Ca 0.01 1.91 0.10 0.00 0.31 0.00 0.00 61.69 64.01 3hy2 s THR 18 Cb 0.02 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 3hy2 s THR 18 CO -0.09 0.17 -0.24 0.00 -0.69 0.00 0.00 174.62 173.77 3hy2 s ALA 19 N 1.04 2.17 -0.34 7.40 0.00 0.41 -1.30 121.76 131.14 3hy2 s ALA 19 Ca 0.48 -1.41 -0.20 0.00 0.00 0.00 0.00 51.96 50.83 3hy2 s ALA 19 Cb -0.20 -0.31 -0.00 0.00 0.00 0.00 0.00 23.12 22.60 3hy2 s ALA 19 CO 0.25 0.45 0.63 0.08 0.00 0.00 0.00 175.76 177.17 3hy2 s VAL 20 N -1.22 4.91 0.65 0.00 1.01 -0.15 -1.59 120.40 124.01 3hy2 s VAL 20 Ca 0.12 0.68 -0.11 0.00 0.00 0.00 0.00 61.98 62.67 3hy2 s VAL 20 Cb -0.10 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 3hy2 s VAL 20 CO 0.06 -0.25 1.05 -0.04 0.00 0.00 0.00 175.10 175.92 3hy2 s MET 21 N 2.67 3.30 0.48 2.72 1.00 0.51 -1.57 119.30 128.40 3hy2 s MET 21 Ca 0.24 0.72 0.21 0.00 0.00 0.00 0.00 55.69 56.87 3hy2 s MET 21 Cb -0.15 -2.05 1.23 0.00 0.00 0.00 0.00 34.83 33.87 3hy2 s MET 21 CO 0.14 -0.78 1.93 -1.35 0.00 0.00 0.00 175.02 174.97 3hy2 h PRO 22 N -0.47 0.21 0.00 2.03 0.11 -1.80 0.69 132.00 132.77 3hy2 h PRO 22 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3hy2 h PRO 22 Cb 1.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3hy2 h PRO 22 CO 0.61 0.14 0.00 -0.40 -0.21 0.00 0.00 178.00 178.14 3hy2 n ASP 23 N -4.42 0.00 0.00 -2.05 5.68 -1.26 -4.65 116.55 109.85 3hy2 n ASP 23 Ca 0.14 -0.60 0.00 0.00 -0.50 0.00 0.00 54.79 53.83 3hy2 n ASP 23 Cb 0.64 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.56 3hy2 n ASP 23 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hy2 n GLY 24 N 0.52 0.77 3.86 6.12 0.00 0.24 -5.06 105.19 111.64 3hy2 n GLY 24 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.46 3.89 0.19 1.61 -0.21 -1.26 -4.77 119.66 118.64 3hy2 s GLN 25 Ca 0.00 0.51 -0.23 0.00 0.02 0.00 0.00 55.36 55.66 3hy2 s GLN 25 Cb 0.00 -2.47 -0.08 0.00 1.00 0.00 0.00 33.01 31.46 3hy2 s GLN 25 CO 0.00 0.14 0.75 -0.06 -2.12 0.00 0.00 175.29 174.00 3hy2 s PHE 26 N -2.06 3.78 -0.12 0.91 0.08 -1.26 -0.37 117.98 118.94 3hy2 s PHE 26 Ca 0.52 1.52 -0.11 0.00 0.12 0.00 0.00 56.93 58.97 3hy2 s PHE 26 Cb -0.10 -2.70 0.03 0.00 -0.57 0.00 0.00 43.02 39.68 3hy2 s PHE 26 CO 0.22 0.43 0.32 0.21 -0.10 0.00 0.00 175.22 176.30 3hy2 s LYS 27 N -1.54 0.37 -0.34 0.44 2.20 -0.62 -4.93 119.74 115.31 3hy2 s LYS 27 Ca 0.39 0.45 -0.24 0.00 -0.36 0.00 0.00 55.97 56.21 3hy2 s LYS 27 Cb -0.20 0.17 0.01 0.00 -1.51 0.00 0.00 37.83 36.30 3hy2 s LYS 27 CO 0.23 -0.05 0.84 -0.51 -0.36 0.00 0.00 175.35 175.51 3hy2 s ASP 28 N 0.22 6.65 0.21 1.43 -0.00 -1.26 -0.44 116.67 123.49 3hy2 s ASP 28 Ca -0.00 0.58 0.11 0.00 -0.00 0.00 0.00 52.55 53.24 3hy2 s ASP 28 Cb -0.03 -2.43 -0.05 0.00 -0.00 0.00 0.00 42.92 40.42 3hy2 s ASP 28 CO -0.00 -0.73 -0.23 0.27 -0.00 0.00 0.00 175.17 174.48 3hy2 s ILE 29 N 3.19 2.35 0.11 0.77 -4.36 0.04 -4.90 121.20 118.39 3hy2 s ILE 29 Ca 0.34 -2.12 0.09 0.00 -0.26 0.00 0.00 60.65 58.70 3hy2 s ILE 29 Cb -0.13 -2.15 -0.04 0.00 1.25 0.00 0.00 42.46 41.39 3hy2 s ILE 29 CO 0.16 -0.20 -0.23 -0.44 0.24 0.00 0.00 174.94 174.46 3hy2 s SER 30 N -2.89 2.83 0.26 4.36 0.01 -1.26 -1.14 113.70 115.87 3hy2 s SER 30 Ca 0.23 -0.70 -0.02 0.00 1.31 0.00 0.00 55.95 56.77 3hy2 s SER 30 Cb -0.07 -0.17 0.46 0.00 0.21 0.00 0.00 66.02 66.45 3hy2 s SER 30 CO 0.11 0.11 1.84 0.25 0.41 0.00 0.00 173.24 175.95 3hy2 h LEU 31 N 4.04 0.86 -2.25 2.44 5.85 -1.88 -0.88 115.31 123.49 3hy2 h LEU 31 Ca -0.48 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.28 3hy2 h LEU 31 Cb 1.18 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.07 3hy2 h LEU 31 CO 0.40 0.49 0.01 0.77 -0.34 0.00 0.00 178.44 179.77 3hy2 h SER 32 N 0.96 0.00 0.29 1.25 4.64 -1.95 -0.80 113.55 117.94 3hy2 h SER 32 Ca 0.44 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.76 3hy2 h SER 32 Cb 0.36 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3hy2 h SER 32 CO -0.24 0.00 -0.02 0.44 -0.87 0.00 0.00 176.83 176.15 3hy2 h ASP 33 N 0.00 0.00 -0.63 4.97 3.32 -1.55 -3.03 116.42 119.49 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 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3hy2 h ASP 33 CO 0.00 0.02 0.00 -1.22 -1.72 0.00 0.00 179.24 176.32 3hy2 n TYR 34 N -3.24 0.89 -1.76 4.55 4.02 -0.31 -4.97 117.16 116.35 3hy2 n TYR 34 Ca -0.02 -0.51 -0.41 0.00 -0.01 0.00 0.00 57.90 56.95 3hy2 n TYR 34 Cb 0.15 -0.03 0.01 0.00 -0.02 0.00 0.00 39.34 39.45 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 1.32 2.43 0.00 -0.72 5.02 -1.15 -1.45 118.16 123.61 3hy2 n LYS 35 Ca 0.22 0.86 0.00 0.00 -2.02 0.00 0.00 58.31 57.36 3hy2 n LYS 35 Cb 0.60 -2.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.00 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 0.55 3.06 3.24 0.72 0.00 0.83 -5.05 105.19 108.55 3hy2 n GLY 36 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.97 1.04 0.52 1.61 1.02 -0.53 -4.85 119.74 117.58 3hy2 s LYS 37 Ca 0.00 -1.06 -0.22 0.00 0.02 0.00 0.00 55.97 54.71 3hy2 s LYS 37 Cb 0.00 -1.21 -0.06 0.00 -0.52 0.00 0.00 37.83 36.04 3hy2 s LYS 37 CO 0.00 0.28 1.26 0.71 -0.92 0.00 0.00 175.35 176.69 3hy2 s TYR 38 N -1.15 2.51 -0.09 3.18 1.51 -1.12 -3.64 117.35 118.55 3hy2 s TYR 38 Ca 0.04 1.46 0.02 0.00 -1.01 0.00 0.00 57.07 57.57 3hy2 s TYR 38 Cb -0.10 -3.60 0.01 0.00 -0.11 0.00 0.00 41.96 38.17 3hy2 s TYR 38 CO 0.03 -2.28 -0.13 0.08 -1.11 0.00 0.00 175.55 172.13 3hy2 s VAL 39 N -1.44 1.31 -0.47 0.71 1.01 0.38 -1.12 120.40 120.78 3hy2 s VAL 39 Ca 0.70 -0.55 -0.15 0.00 0.00 0.00 0.00 61.98 61.98 3hy2 s VAL 39 Cb -0.34 -1.20 0.07 0.00 0.00 0.00 0.00 36.38 34.91 3hy2 s VAL 39 CO 0.41 0.40 0.38 -0.69 0.00 0.00 0.00 175.10 175.59 3hy2 s VAL 40 N 0.87 5.13 -0.27 2.92 1.01 0.14 -1.38 120.40 128.83 3hy2 s VAL 40 Ca -0.10 -1.09 -0.07 0.00 0.00 0.00 0.00 61.98 60.72 3hy2 s VAL 40 Cb -0.15 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.15 3hy2 s VAL 40 CO 0.01 -0.57 0.06 0.12 0.00 0.00 0.00 175.10 174.73 3hy2 s PHE 41 N 1.62 3.10 0.03 5.22 5.36 -0.10 -0.70 117.98 132.51 3hy2 s PHE 41 Ca 0.04 -0.72 0.05 0.00 -0.96 0.00 0.00 56.93 55.35 3hy2 s PHE 41 Cb -0.24 -2.24 -0.02 0.00 -0.34 0.00 0.00 43.02 40.18 3hy2 s PHE 41 CO 0.06 -0.48 -0.15 -0.59 -1.46 0.00 0.00 175.22 172.61 3hy2 s PHE 42 N 1.55 1.33 0.13 10.12 -0.12 0.04 -0.29 117.98 130.74 3hy2 s PHE 42 Ca 0.05 -0.33 0.04 0.00 -0.05 0.00 0.00 56.93 56.63 3hy2 s PHE 42 Cb -0.16 -0.80 -0.04 0.00 -0.63 0.00 0.00 43.02 41.39 3hy2 s PHE 42 CO 0.02 0.03 0.13 -0.06 -0.05 0.00 0.00 175.22 175.29 3hy2 s PHE 43 N -0.75 3.20 0.04 3.49 0.40 0.21 -0.39 117.98 124.19 3hy2 s PHE 43 Ca 0.03 0.04 -0.02 0.00 -0.60 0.00 0.00 56.93 56.38 3hy2 s PHE 43 Cb -0.08 -1.58 -0.02 0.00 0.51 0.00 0.00 43.02 41.85 3hy2 s PHE 43 CO 0.01 0.52 0.01 1.52 0.70 0.00 0.00 175.22 177.99 3hy2 s TYR 44 N -1.60 0.34 0.02 0.36 -0.85 -0.35 -3.85 117.35 111.42 3hy2 s TYR 44 Ca 0.31 -0.73 -0.26 0.00 -0.52 0.00 0.00 57.07 55.87 3hy2 s TYR 44 Cb -0.11 -0.25 -0.17 0.00 0.38 0.00 0.00 41.96 41.81 3hy2 s TYR 44 CO 0.23 -0.32 1.36 -1.35 -1.52 0.00 0.00 175.55 173.95 3hy2 h PRO 45 N 3.73 -0.34 -2.48 -3.49 0.11 -1.82 -3.39 132.00 124.32 3hy2 h PRO 45 Ca -0.33 0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.71 3hy2 h PRO 45 Cb 1.18 0.08 -0.22 0.00 0.11 0.00 0.00 31.00 32.15 3hy2 h PRO 45 CO 0.54 -0.05 -0.08 -0.51 -0.21 0.00 0.00 178.00 177.69 3hy2 s LEU 46 N -9.63 0.03 0.65 2.35 1.43 -1.26 -4.25 118.68 108.00 3hy2 s LEU 46 Ca -0.15 0.82 -0.15 0.00 -1.03 0.00 0.00 54.13 53.63 3hy2 s LEU 46 Cb 0.03 1.84 -0.00 0.00 0.03 0.00 0.00 46.19 48.09 3hy2 s LEU 46 CO 0.59 -0.31 1.11 -1.81 0.23 0.00 0.00 176.35 176.16 3hy2 s ASP 47 N -0.27 5.12 -1.48 2.29 1.11 -1.26 -4.37 116.67 117.81 3hy2 s ASP 47 Ca -0.04 2.01 -0.04 0.00 0.18 0.00 0.00 52.55 54.66 3hy2 s ASP 47 Cb -0.03 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.41 3hy2 s ASP 47 CO 0.03 -1.62 0.50 0.49 1.18 0.00 0.00 175.17 175.75 3hy2 n PHE 48 N -2.38 -1.72 -1.84 4.23 3.72 -1.26 -5.01 117.46 113.20 3hy2 n PHE 48 Ca 0.10 0.43 -0.14 0.00 -0.05 0.00 0.00 57.45 57.79 3hy2 n PHE 48 Cb 0.52 -4.22 0.09 0.00 -0.94 0.00 0.00 39.48 34.93 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 -4.39 0.00 1.45 4.37 -2.24 -1.26 -4.97 114.28 107.23 3hy2 n THR 49 Ca -0.12 -0.62 0.14 0.00 -2.27 0.00 0.00 64.05 61.17 3hy2 n THR 49 Cb 0.62 -1.51 0.59 0.00 -2.10 0.00 0.00 70.33 67.93 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 -2.65 0.00 -3.66 4.78 3.01 -1.26 -4.78 117.46 112.90 3hy2 n PHE 50 Ca 0.09 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.17 3hy2 n PHE 50 Cb 0.30 -0.13 -0.06 0.00 -0.01 0.00 0.00 39.48 39.58 3hy2 n PHE 50 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 3hy2 s VAL 51 N -2.37 5.28 0.40 -4.37 -7.23 -1.26 -5.08 120.40 105.77 3hy2 s VAL 51 Ca 0.31 0.52 -0.26 0.00 -1.81 0.00 0.00 61.98 60.74 3hy2 s VAL 51 Cb 0.20 -3.57 -0.09 0.00 0.56 0.00 0.00 36.38 33.48 3hy2 s VAL 51 CO 0.45 0.55 1.36 -1.81 -0.31 0.00 0.00 175.10 175.35 3hy2 s ASP 52 N -0.72 6.26 -0.65 4.85 1.11 -1.26 -4.89 116.67 121.38 3hy2 s ASP 52 Ca 0.19 2.78 -0.06 0.00 0.18 0.00 0.00 52.55 55.63 3hy2 s ASP 52 Cb -0.14 -2.65 -0.10 0.00 1.07 0.00 0.00 42.92 41.10 3hy2 s ASP 52 CO 0.07 -0.90 3.12 -0.81 1.18 0.00 0.00 175.17 177.83 3hy2 n PRO 53 N 0.18 2.83 -0.25 8.23 -0.04 -1.26 -4.70 135.00 139.99 3hy2 n PRO 53 Ca 0.03 -1.92 0.05 0.00 -0.04 0.00 0.00 63.50 61.63 3hy2 n PRO 53 Cb 0.42 -2.30 0.17 0.00 -0.04 0.00 0.00 33.50 31.75 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 2.30 0.43 -0.18 0.52 2.02 -1.96 -0.94 112.91 115.11 3hy2 h THR 54 Ca 0.46 -0.06 0.02 0.00 0.77 0.00 0.00 66.41 67.60 3hy2 h THR 54 Cb 0.89 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 3hy2 h THR 54 CO 0.90 0.03 0.05 -0.08 0.37 0.00 0.00 175.52 176.79 3hy2 h GLU 55 N 0.17 0.13 -0.56 6.66 4.81 -1.94 -0.94 114.58 122.92 3hy2 h GLU 55 Ca 0.41 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.58 3hy2 h GLU 55 Cb 0.71 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 3hy2 h GLU 55 CO -0.58 0.08 0.17 0.82 -0.73 0.00 0.00 179.01 178.77 3hy2 h ILE 56 N 0.13 1.24 -0.62 2.32 2.04 -1.66 -2.39 117.51 118.56 3hy2 h ILE 56 Ca 0.08 -0.82 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 3hy2 h ILE 56 Cb 0.06 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 3hy2 h ILE 56 CO -0.09 0.30 0.30 0.40 0.00 0.00 0.00 178.15 179.06 3hy2 h ILE 57 N 0.78 1.20 -0.26 -0.67 2.04 -1.05 -1.13 117.51 118.42 3hy2 h ILE 57 Ca 0.18 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.43 3hy2 h ILE 57 Cb 0.29 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 3hy2 h ILE 57 CO -0.00 0.24 0.03 0.00 0.00 0.00 0.00 178.15 178.42 3hy2 h ALA 58 N 1.45 0.35 -0.71 1.87 0.00 -0.92 0.29 119.26 121.60 3hy2 h ALA 58 Ca 0.22 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3hy2 h ALA 58 Cb 0.10 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3hy2 h ALA 58 CO -0.03 0.05 0.27 0.74 0.00 0.00 0.00 179.25 180.28 3hy2 h PHE 59 N 0.25 1.09 -0.18 0.00 -1.00 -1.17 -1.98 116.94 113.95 3hy2 h PHE 59 Ca 0.08 -0.09 -0.06 0.00 2.81 0.00 0.00 57.97 60.72 3hy2 h PHE 59 Cb 0.35 -0.32 -0.00 0.00 3.61 0.00 0.00 35.95 39.59 3hy2 h PHE 59 CO 0.03 0.84 -0.10 1.03 -1.61 0.00 0.00 178.31 178.50 3hy2 h SER 60 N 1.01 0.40 -0.86 2.17 0.87 -1.12 -2.59 113.55 113.43 3hy2 h SER 60 Ca 0.23 -0.42 0.12 0.00 -1.23 0.00 0.00 61.79 60.49 3hy2 h SER 60 Cb 0.23 -0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 62.01 3hy2 h SER 60 CO -0.02 0.74 0.56 0.44 -0.53 0.00 0.00 176.83 178.02 3hy2 h ASP 61 N 0.07 0.67 -0.55 6.23 3.32 -0.35 -1.86 116.42 123.94 3hy2 h ASP 61 Ca 0.04 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.02 3hy2 h ASP 61 Cb 0.59 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 39.98 3hy2 h ASP 61 CO 0.03 0.36 0.10 0.54 -1.72 0.00 0.00 179.24 178.55 3hy2 n ARG 62 N -4.54 3.77 -0.16 3.56 1.74 -0.75 -4.56 116.66 115.72 3hy2 n ARG 62 Ca 0.16 -3.07 0.14 0.00 -0.77 0.00 0.00 57.85 54.31 3hy2 n ARG 62 Cb 0.41 -2.12 0.48 0.00 -1.02 0.00 0.00 32.46 30.20 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 2.75 2.03 -0.73 7.54 0.00 -0.93 -0.94 119.26 128.99 3hy2 h ALA 63 Ca 0.12 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.10 3hy2 h ALA 63 Cb 1.97 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.64 3hy2 h ALA 63 CO 0.52 -0.22 0.48 0.93 0.00 0.00 0.00 179.25 180.96 3hy2 h GLU 64 N 0.48 0.70 -0.51 0.00 3.07 -1.83 -1.01 114.58 115.49 3hy2 h GLU 64 Ca 0.36 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 59.09 3hy2 h GLU 64 Cb 0.73 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.46 3hy2 h GLU 64 CO -0.12 0.47 -0.04 0.93 -1.40 0.00 0.00 179.01 178.84 3hy2 h GLU 65 N 0.72 0.88 -0.41 2.33 5.08 -1.53 -1.21 114.58 120.44 3hy2 h GLU 65 Ca 0.32 -0.27 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 3hy2 h GLU 65 Cb 0.31 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3hy2 h GLU 65 CO -0.11 0.90 0.06 0.74 -1.00 0.00 0.00 179.01 179.61 3hy2 h PHE 66 N 0.81 0.73 -0.79 4.33 -1.00 -1.31 -3.13 116.94 116.57 3hy2 h PHE 66 Ca 0.14 -0.10 0.01 0.00 2.81 0.00 0.00 57.97 60.83 3hy2 h PHE 66 Cb 0.54 -0.20 -0.04 0.00 3.61 0.00 0.00 35.95 39.86 3hy2 h PHE 66 CO 0.03 0.71 0.53 -0.22 -1.61 0.00 0.00 178.31 177.75 3hy2 h LYS 67 N 0.54 1.04 -0.01 1.51 3.64 -1.03 -0.21 116.57 122.05 3hy2 h LYS 67 Ca 0.13 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3hy2 h LYS 67 Cb 0.38 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3hy2 h LYS 67 CO 0.01 0.69 0.01 0.87 -2.27 0.00 0.00 179.45 178.75 3hy2 h LYS 68 N 1.07 0.00 -0.64 1.90 1.57 -1.17 -0.95 116.57 118.34 3hy2 h LYS 68 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 3hy2 h LYS 68 Cb -0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.20 3hy2 h LYS 68 CO -0.07 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.09 3hy2 n LEU 69 N -3.98 4.27 -3.85 2.94 4.77 -0.23 -4.94 117.00 115.98 3hy2 n LEU 69 Ca -0.03 -2.16 -0.27 0.00 -0.03 0.00 0.00 56.01 53.53 3hy2 n LEU 69 Cb 0.09 -0.56 0.03 0.00 -2.33 0.00 0.00 43.42 40.65 3hy2 n LEU 69 CO 0.29 0.66 0.03 -3.20 -1.33 0.00 0.00 177.39 173.83 3hy2 n ASN 70 N 0.81 -3.29 -4.14 -1.43 5.15 -0.36 -4.81 115.26 107.19 3hy2 n ASN 70 Ca 0.22 -0.81 -0.20 0.00 -0.60 0.00 0.00 54.58 53.19 3hy2 n ASN 70 Cb 0.83 -3.89 -0.13 0.00 -0.53 0.00 0.00 39.78 36.05 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 1.63 -0.18 1.20 1.04 -0.37 -2.80 113.70 110.49 3hy2 s SER 71 Ca 0.40 -0.44 -0.04 0.00 0.48 0.00 0.00 55.95 56.34 3hy2 s SER 71 Cb -0.20 -0.11 -0.02 0.00 0.10 0.00 0.00 66.02 65.79 3hy2 s SER 71 CO 0.83 0.04 -0.02 -1.58 0.98 0.00 0.00 173.24 173.48 3hy2 s GLN 72 N -1.08 3.62 -0.11 4.02 2.00 -0.27 -3.55 119.66 124.28 3hy2 s GLN 72 Ca 0.02 -0.53 -0.12 0.00 -2.00 0.00 0.00 55.36 52.73 3hy2 s GLN 72 Cb -0.08 -3.00 -0.05 0.00 0.80 0.00 0.00 33.01 30.69 3hy2 s GLN 72 CO 0.01 0.10 0.27 0.08 -0.50 0.00 0.00 175.29 175.26 3hy2 s VAL 73 N 0.73 5.30 -0.05 1.34 1.01 -1.26 -0.68 120.40 126.79 3hy2 s VAL 73 Ca -0.01 0.51 -0.00 0.00 0.00 0.00 0.00 61.98 62.48 3hy2 s VAL 73 Cb -0.14 -3.58 0.03 0.00 0.00 0.00 0.00 36.38 32.68 3hy2 s VAL 73 CO 0.02 0.50 -0.01 -0.63 0.00 0.00 0.00 175.10 174.97 3hy2 s ILE 74 N -0.28 0.39 0.24 2.22 1.01 0.12 -4.20 121.20 120.70 3hy2 s ILE 74 Ca 0.17 0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.88 3hy2 s ILE 74 Cb -0.13 -0.49 -0.03 0.00 0.01 0.00 0.00 42.46 41.81 3hy2 s ILE 74 CO 0.06 0.23 0.39 -0.83 0.00 0.00 0.00 174.94 174.79 3hy2 s GLY 75 N 1.43 1.44 -0.04 6.18 0.00 -0.99 -0.78 107.32 114.57 3hy2 s GLY 75 Ca -0.03 -1.05 -0.12 0.00 0.00 0.00 0.00 44.72 43.51 3hy2 s GLY 75 CO -0.03 -1.04 0.28 0.00 0.00 0.00 0.00 173.10 172.32 3hy2 s ALA 76 N -1.99 -0.70 0.29 3.20 0.00 0.47 -0.16 121.76 122.88 3hy2 s ALA 76 Ca 0.36 0.38 -0.05 0.00 0.00 0.00 0.00 51.96 52.65 3hy2 s ALA 76 Cb -0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 3hy2 s ALA 76 CO 0.30 -0.22 0.41 -1.54 0.00 0.00 0.00 175.76 174.71 3hy2 s SER 77 N -0.96 0.52 0.13 0.00 1.04 -1.04 -1.21 113.70 112.18 3hy2 s SER 77 Ca -0.10 -1.32 0.21 0.00 0.48 0.00 0.00 55.95 55.22 3hy2 s SER 77 Cb -0.05 0.59 0.85 0.00 0.10 0.00 0.00 66.02 67.51 3hy2 s SER 77 CO 0.03 -1.17 1.64 1.33 0.98 0.00 0.00 173.24 176.05 3hy2 n VAL 78 N -0.46 0.81 -1.57 5.02 0.24 -1.26 -0.63 118.33 120.47 3hy2 n VAL 78 Ca 0.01 0.17 -0.33 0.00 -2.04 0.00 0.00 64.34 62.15 3hy2 n VAL 78 Cb 0.62 -0.99 0.07 0.00 -1.47 0.00 0.00 33.84 32.07 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 -3.68 4.79 0.79 -1.34 1.11 -1.26 -3.27 116.67 113.80 3hy2 s ASP 79 Ca 0.07 2.01 -0.10 0.00 0.18 0.00 0.00 52.55 54.70 3hy2 s ASP 79 Cb 0.10 -2.55 0.07 0.00 1.07 0.00 0.00 42.92 41.61 3hy2 s ASP 79 CO 0.37 -1.85 1.10 -0.94 1.18 0.00 0.00 175.17 175.03 3hy2 s SER 80 N -2.69 4.33 0.39 0.27 1.04 -1.26 -3.89 113.70 111.89 3hy2 s SER 80 Ca 0.67 1.86 0.12 0.00 0.48 0.00 0.00 55.95 59.07 3hy2 s SER 80 Cb -0.21 -2.52 0.79 0.00 0.10 0.00 0.00 66.02 64.17 3hy2 s SER 80 CO 0.46 -2.15 1.88 1.12 0.98 0.00 0.00 173.24 175.53 3hy2 h HIS 81 N -1.21 0.10 -0.45 5.02 2.07 -1.93 -1.46 115.15 117.29 3hy2 h HIS 81 Ca -0.43 -0.02 0.03 0.00 -2.85 0.00 0.00 60.37 57.10 3hy2 h HIS 81 Cb 1.23 -0.03 -0.03 0.00 2.57 0.00 0.00 27.41 31.16 3hy2 h HIS 81 CO 0.57 0.35 0.25 0.74 -3.07 0.00 0.00 177.93 176.77 3hy2 h PHE 82 N 0.09 0.47 -0.65 6.12 -1.00 -1.98 -2.08 116.94 117.89 3hy2 h PHE 82 Ca 0.01 0.02 -0.07 0.00 2.81 0.00 0.00 57.97 60.74 3hy2 h PHE 82 Cb 0.50 -0.15 -0.03 0.00 3.61 0.00 0.00 35.95 39.89 3hy2 h PHE 82 CO 0.00 0.26 0.13 1.49 -1.61 0.00 0.00 178.31 178.58 3hy2 h GLU 83 N 0.50 1.07 -0.43 1.51 4.81 -1.81 -1.69 114.58 118.54 3hy2 h GLU 83 Ca 0.19 -0.27 0.08 0.00 -0.13 0.00 0.00 59.36 59.22 3hy2 h GLU 83 Cb 0.05 -0.13 -0.07 0.00 0.63 0.00 0.00 28.75 29.22 3hy2 h GLU 83 CO -0.10 0.97 -0.04 0.45 -0.73 0.00 0.00 179.01 179.56 3hy2 h HIS 84 N 0.99 -0.11 -0.74 0.92 3.86 -1.07 -1.86 115.15 117.14 3hy2 h HIS 84 Ca 0.20 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.38 3hy2 h HIS 84 Cb 0.41 0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.96 3hy2 h HIS 84 CO 0.03 -0.13 0.21 1.25 0.86 0.00 0.00 177.93 180.15 3hy2 h LEU 85 N 0.06 1.09 -1.03 2.43 5.85 -1.18 -0.61 115.31 121.91 3hy2 h LEU 85 Ca 0.21 -0.22 0.12 0.00 0.84 0.00 0.00 57.88 58.83 3hy2 h LEU 85 Cb 0.31 -0.29 -0.08 0.00 0.37 0.00 0.00 40.66 40.97 3hy2 h LEU 85 CO -0.39 1.02 0.63 -0.33 -0.34 0.00 0.00 178.44 179.03 3hy2 h GLU 86 N 1.10 0.96 -0.05 1.25 5.08 -0.97 -0.83 114.58 121.11 3hy2 h GLU 86 Ca 0.24 -0.06 -0.24 0.00 -1.00 0.00 0.00 59.36 58.30 3hy2 h GLU 86 Cb 0.33 -0.22 0.02 0.00 0.50 0.00 0.00 28.75 29.38 3hy2 h GLU 86 CO -0.00 0.63 -0.89 2.35 -1.00 0.00 0.00 179.01 180.10 3hy2 h TRP 87 N 0.98 1.00 -0.56 4.33 7.01 -0.64 -2.27 115.95 125.81 3hy2 h TRP 87 Ca 0.49 -0.51 0.09 0.00 2.11 0.00 0.00 58.89 61.07 3hy2 h TRP 87 Cb 0.48 -0.13 -0.07 0.00 -2.10 0.00 0.00 29.16 27.34 3hy2 h TRP 87 CO -0.00 1.34 0.17 0.28 -2.79 0.00 0.00 178.44 177.43 3hy2 h VAL 88 N 0.38 0.75 -0.09 2.65 2.07 -0.95 -1.17 116.25 119.89 3hy2 h VAL 88 Ca -0.10 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.31 3hy2 h VAL 88 Cb 1.54 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 3hy2 h VAL 88 CO 0.18 0.06 0.00 0.59 0.02 0.00 0.00 177.57 178.42 3hy2 n ASN 89 N -5.05 1.07 -4.60 0.57 3.02 -0.33 -2.55 115.26 107.39 3hy2 n ASN 89 Ca 0.07 -2.06 -0.35 0.00 -0.03 0.00 0.00 54.58 52.21 3hy2 n ASN 89 Cb 0.26 -0.28 -0.10 0.00 -0.61 0.00 0.00 39.78 39.05 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 -1.58 4.73 0.42 3.41 2.01 -0.84 -5.02 115.64 118.77 3hy2 s THR 90 Ca 0.07 -0.05 -0.24 0.00 0.31 0.00 0.00 61.69 61.78 3hy2 s THR 90 Cb 0.05 -3.15 -0.10 0.00 0.01 0.00 0.00 72.50 69.30 3hy2 s THR 90 CO 0.04 0.43 1.01 -2.65 -0.69 0.00 0.00 174.62 172.76 3hy2 n PRO 91 N 3.79 1.34 0.12 4.92 -0.02 -1.26 -3.04 135.00 140.85 3hy2 n PRO 91 Ca -0.16 0.48 0.06 0.00 -2.02 0.00 0.00 63.50 61.85 3hy2 n PRO 91 Cb 0.52 -2.04 0.51 0.00 -0.02 0.00 0.00 33.50 32.47 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 1.51 0.28 0.00 -0.52 1.57 -1.90 -0.09 116.57 117.42 3hy2 h LYS 92 Ca -0.45 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3hy2 h LYS 92 Cb 1.34 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.59 3hy2 h LYS 92 CO 0.57 0.21 0.00 0.36 -0.57 0.00 0.00 179.45 180.01 3hy2 n LYS 93 N -4.49 0.07 -0.61 3.15 2.85 -1.26 -0.94 118.16 116.93 3hy2 n LYS 93 Ca 0.00 0.32 0.05 0.00 -1.05 0.00 0.00 58.31 57.63 3hy2 n LYS 93 Cb 0.09 -1.63 0.27 0.00 -0.65 0.00 0.00 35.03 33.11 3hy2 n LYS 93 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 3hy2 n GLN 94 N -1.76 3.01 -1.11 -1.58 6.02 -0.51 -4.95 117.38 116.51 3hy2 n GLN 94 Ca 0.03 -2.95 -0.04 0.00 -0.01 0.00 0.00 57.00 54.03 3hy2 n GLN 94 Cb 0.18 -1.92 -0.02 0.00 1.02 0.00 0.00 30.24 29.51 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 -0.48 0.65 3.82 1.08 0.00 -0.12 -4.91 105.19 105.23 3hy2 n GLY 95 Ca 0.26 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.54 1.59 0.04 -0.02 0.00 -0.17 -4.53 107.32 101.70 3hy2 s GLY 96 Ca 0.00 -0.61 -0.05 0.00 0.00 0.00 0.00 44.72 44.06 3hy2 s GLY 96 CO 0.00 -0.05 0.99 1.41 0.00 0.00 0.00 173.10 175.45 3hy2 h LEU 97 N -1.43 0.44 0.00 0.66 3.38 -1.29 -3.37 115.31 113.70 3hy2 h LEU 97 Ca -0.49 -0.54 0.07 0.00 0.09 0.00 0.00 57.88 57.02 3hy2 h LEU 97 Cb 1.32 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 3hy2 h LEU 97 CO 0.61 1.43 -0.10 0.61 0.09 0.00 0.00 178.44 181.08 3hy2 n GLY 98 N 1.62 -2.03 3.78 0.83 0.00 -1.06 -4.87 105.19 103.45 3hy2 n GLY 98 Ca -0.13 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.09 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 -0.89 4.11 0.03 1.61 0.02 -1.25 -4.54 135.00 134.08 3hy2 s PRO 99 Ca 0.00 2.55 0.06 0.00 0.02 0.00 0.00 61.00 63.63 3hy2 s PRO 99 Cb 0.00 -2.96 -0.03 0.00 0.02 0.00 0.00 34.50 31.53 3hy2 s PRO 99 CO 0.00 -0.53 -0.14 -1.64 -0.33 0.00 0.00 177.00 174.36 3hy2 s MET 100 N -2.10 2.24 0.00 5.54 -1.94 -1.26 -5.00 119.30 116.78 3hy2 s MET 100 Ca 0.53 -0.89 0.23 0.00 -1.71 0.00 0.00 55.69 53.85 3hy2 s MET 100 Cb -0.46 -2.30 0.28 0.00 2.01 0.00 0.00 34.83 34.36 3hy2 s MET 100 CO 0.62 0.56 1.29 0.09 -0.01 0.00 0.00 175.02 177.58 3hy2 n ASN 101 N 1.55 3.14 -4.26 3.03 3.02 -1.26 -4.54 115.26 115.93 3hy2 n ASN 101 Ca -0.16 -1.97 -0.22 0.00 -0.03 0.00 0.00 54.58 52.20 3hy2 n ASN 101 Cb 0.52 -0.10 -0.12 0.00 -0.61 0.00 0.00 39.78 39.47 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 -1.75 1.53 0.49 2.41 -4.36 -1.26 -4.87 121.20 113.40 3hy2 s ILE 102 Ca 0.31 -1.53 -0.22 0.00 -0.26 0.00 0.00 60.65 58.96 3hy2 s ILE 102 Cb 0.21 -1.45 -0.07 0.00 1.25 0.00 0.00 42.46 42.40 3hy2 s ILE 102 CO 0.30 -0.15 1.16 -2.84 0.24 0.00 0.00 174.94 173.65 3hy2 s PRO 103 N -2.00 3.58 -0.23 0.37 0.02 -1.26 -4.34 135.00 131.15 3hy2 s PRO 103 Ca 0.05 1.73 0.02 0.00 0.02 0.00 0.00 61.00 62.82 3hy2 s PRO 103 Cb -0.09 -2.25 0.05 0.00 0.02 0.00 0.00 34.50 32.23 3hy2 s PRO 103 CO 0.04 -0.69 -0.11 -0.51 -0.33 0.00 0.00 177.00 175.40 3hy2 s LEU 104 N -3.33 2.83 0.32 -5.54 1.43 -0.61 -2.34 118.68 111.43 3hy2 s LEU 104 Ca 0.67 -1.14 -0.25 0.00 -1.03 0.00 0.00 54.13 52.38 3hy2 s LEU 104 Cb -0.27 -1.38 -0.10 0.00 0.03 0.00 0.00 46.19 44.47 3hy2 s LEU 104 CO 0.32 -0.17 0.93 -0.69 0.23 0.00 0.00 176.35 176.97 3hy2 s VAL 105 N 1.26 4.25 -0.19 -1.59 1.01 0.77 -0.98 120.40 124.93 3hy2 s VAL 105 Ca -0.05 1.76 -0.07 0.00 0.00 0.00 0.00 61.98 63.62 3hy2 s VAL 105 Cb -0.18 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 3hy2 s VAL 105 CO -0.07 0.11 0.05 -0.55 0.00 0.00 0.00 175.10 174.64 3hy2 s SER 106 N -1.67 5.40 -0.52 3.32 0.15 -0.42 -2.49 113.70 117.47 3hy2 s SER 106 Ca 0.51 -0.01 0.07 0.00 0.70 0.00 0.00 55.95 57.21 3hy2 s SER 106 Cb -0.18 -1.93 0.35 0.00 -1.71 0.00 0.00 66.02 62.56 3hy2 s SER 106 CO 0.23 0.13 0.92 -0.67 1.20 0.00 0.00 173.24 175.05 3hy2 n ASP 107 N 3.79 3.70 0.16 5.45 2.03 0.20 -4.38 116.55 127.50 3hy2 n ASP 107 Ca -0.17 -3.53 0.13 0.00 0.52 0.00 0.00 54.79 51.75 3hy2 n ASP 107 Cb 0.52 -0.56 0.51 0.00 -0.72 0.00 0.00 41.12 40.86 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 2.95 0.00 -0.01 -0.67 0.13 -1.80 -0.84 132.00 131.76 3hy2 h PRO 108 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3hy2 h PRO 108 Cb 0.65 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 3hy2 h PRO 108 CO 0.75 0.00 -0.04 1.63 -0.23 0.00 0.00 178.00 180.11 3hy2 n LYS 109 N -2.48 1.58 -0.89 0.86 5.02 -1.26 -4.94 118.16 116.06 3hy2 n LYS 109 Ca 0.02 -0.96 0.00 0.00 -2.02 0.00 0.00 58.31 55.36 3hy2 n LYS 109 Cb 0.29 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 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 0.13 -1.19 0.06 1.97 3.00 -0.32 -4.86 116.66 115.45 3hy2 n ARG 110 Ca 0.18 0.30 -0.07 0.00 -0.01 0.00 0.00 57.85 58.25 3hy2 n ARG 110 Cb 0.37 -4.51 0.09 0.00 0.00 0.00 0.00 32.46 28.41 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 1.38 -0.08 0.55 1.35 -1.92 -1.54 112.91 112.65 3hy2 h THR 111 Ca 0.00 -2.00 -0.02 0.00 -0.55 0.00 0.00 66.41 63.84 3hy2 h THR 111 Cb 0.60 2.00 -0.00 0.00 -1.73 0.00 0.00 68.15 69.01 3hy2 h THR 111 CO 0.00 0.60 -0.03 0.40 -0.25 0.00 0.00 175.52 176.24 3hy2 h ILE 112 N 0.24 1.31 -0.89 6.82 2.04 -1.89 -0.94 117.51 124.20 3hy2 h ILE 112 Ca -0.01 -1.01 0.06 0.00 1.00 0.00 0.00 64.86 64.90 3hy2 h ILE 112 Cb 1.15 1.83 -0.06 0.00 -0.74 0.00 0.00 36.82 39.00 3hy2 h ILE 112 CO 0.10 0.28 0.56 0.00 0.00 0.00 0.00 178.15 179.09 3hy2 h ALA 113 N 0.64 1.22 -0.26 1.87 0.00 -1.91 -0.95 119.26 119.86 3hy2 h ALA 113 Ca 0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3hy2 h ALA 113 Cb 0.46 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3hy2 h ALA 113 CO 0.01 0.32 0.05 1.96 0.00 0.00 0.00 179.25 181.59 3hy2 h GLN 114 N 1.02 0.43 -0.96 0.00 4.20 -1.22 -0.33 115.11 118.25 3hy2 h GLN 114 Ca 0.38 -0.11 0.19 0.00 0.06 0.00 0.00 58.65 59.17 3hy2 h GLN 114 Cb 0.15 -0.05 -0.09 0.00 0.30 0.00 0.00 27.48 27.79 3hy2 h GLN 114 CO -0.17 0.55 0.61 -0.44 -0.67 0.00 0.00 178.83 178.71 3hy2 h ASP 115 N 0.24 0.61 -0.08 1.46 3.32 -0.59 -0.86 116.42 120.52 3hy2 h ASP 115 Ca 0.08 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3hy2 h ASP 115 Cb 0.32 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3hy2 h ASP 115 CO 0.00 0.23 0.00 -1.22 -1.72 0.00 0.00 179.24 176.54 3hy2 n TYR 116 N -4.63 0.09 -3.08 4.55 4.02 -0.41 0.51 117.16 118.21 3hy2 n TYR 116 Ca 0.21 -0.05 -0.22 0.00 -0.01 0.00 0.00 57.90 57.83 3hy2 n TYR 116 Cb 0.63 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.99 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 1.19 -0.50 0.08 2.72 0.00 -0.33 -4.77 105.19 103.58 3hy2 n GLY 117 Ca 0.18 0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.39 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 -4.57 1.43 -2.66 1.61 0.24 -0.25 -4.24 118.33 109.90 3hy2 n VAL 118 Ca -0.10 -1.66 -0.42 0.00 -2.04 0.00 0.00 64.34 60.12 3hy2 n VAL 118 Cb 0.61 0.07 -0.03 0.00 -1.47 0.00 0.00 33.84 33.02 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 -2.03 4.38 -0.65 1.34 2.96 -1.23 -0.08 118.68 123.37 3hy2 s LEU 119 Ca 0.19 1.74 -0.21 0.00 -0.22 0.00 0.00 54.13 55.64 3hy2 s LEU 119 Cb 0.17 -3.57 0.09 0.00 0.50 0.00 0.00 46.19 43.37 3hy2 s LEU 119 CO 0.02 -0.28 0.88 -0.75 -1.32 0.00 0.00 176.35 174.90 3hy2 s LYS 120 N 0.91 3.12 0.17 1.98 2.20 0.96 -4.86 119.74 124.22 3hy2 s LYS 120 Ca 0.53 -1.08 -0.10 0.00 -0.36 0.00 0.00 55.97 54.95 3hy2 s LYS 120 Cb -0.23 -4.29 0.06 0.00 -1.51 0.00 0.00 37.83 31.86 3hy2 s LYS 120 CO 0.28 -1.71 1.65 0.00 -0.36 0.00 0.00 175.35 175.21 3hy2 h ALA 121 N 9.37 0.78 0.00 3.13 0.00 -1.94 -0.36 119.26 130.24 3hy2 h ALA 121 Ca -0.26 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3hy2 h ALA 121 Cb 1.07 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3hy2 h ALA 121 CO 1.15 0.57 0.00 -0.40 0.00 0.00 0.00 179.25 180.57 3hy2 n ASP 122 N -4.27 0.00 0.00 0.00 5.75 -1.26 -2.66 116.55 114.11 3hy2 n ASP 122 Ca 0.03 0.46 0.00 0.00 -0.01 0.00 0.00 54.79 55.26 3hy2 n ASP 122 Cb 0.30 -0.46 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 3hy2 n ASP 122 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3hy2 n GLU 123 N -1.46 3.28 -1.66 0.11 -0.58 -0.84 -5.04 120.64 114.46 3hy2 n GLU 123 Ca 0.01 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.65 3hy2 n GLU 123 Cb 0.03 -0.61 -0.03 0.00 -0.57 0.00 0.00 31.44 30.26 3hy2 n GLU 123 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hy2 n GLY 124 N 1.25 0.66 3.26 0.62 0.00 -0.21 -5.03 105.19 105.75 3hy2 n GLY 124 Ca 0.00 -0.53 -0.14 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.42 1.11 0.36 -0.61 -4.36 -1.19 -4.94 121.20 109.14 3hy2 s ILE 125 Ca 0.00 -2.05 -0.18 0.00 -0.26 0.00 0.00 60.65 58.16 3hy2 s ILE 125 Cb 0.00 -1.93 -0.10 0.00 1.25 0.00 0.00 42.46 41.69 3hy2 s ILE 125 CO 0.00 -0.68 0.83 -0.94 0.24 0.00 0.00 174.94 174.39 3hy2 s SER 126 N -3.18 6.89 1.18 4.36 1.04 -1.26 -0.03 113.70 122.70 3hy2 s SER 126 Ca 0.19 1.48 -0.19 0.00 0.48 0.00 0.00 55.95 57.90 3hy2 s SER 126 Cb 0.03 -2.45 0.28 0.00 0.10 0.00 0.00 66.02 63.98 3hy2 s SER 126 CO 0.02 -0.24 1.15 -0.36 0.98 0.00 0.00 173.24 174.78 3hy2 s PHE 127 N -2.00 0.53 -1.33 5.02 0.40 0.89 -3.71 117.98 117.77 3hy2 s PHE 127 Ca 0.56 0.43 -0.14 0.00 -0.60 0.00 0.00 56.93 57.18 3hy2 s PHE 127 Cb -0.11 -3.57 0.10 0.00 0.51 0.00 0.00 43.02 39.95 3hy2 s PHE 127 CO 0.16 -3.77 1.89 0.54 0.70 0.00 0.00 175.22 174.74 3hy2 n ARG 128 N -4.65 3.22 -3.46 0.44 1.74 -1.05 -4.28 116.66 108.62 3hy2 n ARG 128 Ca 0.14 -3.22 -0.36 0.00 -0.77 0.00 0.00 57.85 53.65 3hy2 n ARG 128 Cb 0.60 -3.20 -0.06 0.00 -1.02 0.00 0.00 32.46 28.77 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 2.78 2.45 -0.01 -0.13 0.00 -1.25 -1.17 107.32 109.98 3hy2 s GLY 129 Ca 0.46 -0.21 0.01 0.00 0.00 0.00 0.00 44.72 44.97 3hy2 s GLY 129 CO -0.01 0.08 -0.02 -2.27 0.00 0.00 0.00 173.10 170.89 3hy2 s LEU 130 N -1.63 1.69 -0.04 0.66 0.20 0.37 -0.62 118.68 119.31 3hy2 s LEU 130 Ca 0.32 -0.04 0.03 0.00 0.69 0.00 0.00 54.13 55.12 3hy2 s LEU 130 Cb -0.16 -0.17 0.01 0.00 -0.43 0.00 0.00 46.19 45.44 3hy2 s LEU 130 CO 0.17 -0.02 -0.11 -0.36 -0.29 0.00 0.00 176.35 175.75 3hy2 s PHE 131 N 0.34 1.22 -0.25 5.38 0.40 0.61 -0.55 117.98 125.12 3hy2 s PHE 131 Ca -0.03 -0.37 -0.07 0.00 -0.60 0.00 0.00 56.93 55.86 3hy2 s PHE 131 Cb -0.06 -0.88 -0.03 0.00 0.51 0.00 0.00 43.02 42.56 3hy2 s PHE 131 CO -0.01 -0.18 0.06 0.42 0.70 0.00 0.00 175.22 176.21 3hy2 s ILE 132 N 0.41 4.21 -0.10 0.64 1.01 -0.68 -0.92 121.20 125.77 3hy2 s ILE 132 Ca -0.08 -0.21 0.04 0.00 0.00 0.00 0.00 60.65 60.40 3hy2 s ILE 132 Cb -0.12 -2.97 0.00 0.00 0.01 0.00 0.00 42.46 39.38 3hy2 s ILE 132 CO 0.02 0.35 -0.23 -0.63 0.00 0.00 0.00 174.94 174.45 3hy2 s ILE 133 N 1.60 1.96 0.99 2.92 1.01 -0.48 0.41 121.20 129.61 3hy2 s ILE 133 Ca 0.06 -0.96 -0.16 0.00 0.00 0.00 0.00 60.65 59.59 3hy2 s ILE 133 Cb -0.15 -1.70 0.22 0.00 0.01 0.00 0.00 42.46 40.85 3hy2 s ILE 133 CO 0.03 0.54 1.35 1.51 0.00 0.00 0.00 174.94 178.36 3hy2 s ASP 134 N 0.36 2.85 0.18 3.58 1.47 0.80 -0.47 116.67 125.44 3hy2 s ASP 134 Ca -0.18 0.14 0.19 0.00 1.18 0.00 0.00 52.55 53.88 3hy2 s ASP 134 Cb -0.18 -0.09 0.83 0.00 -0.34 0.00 0.00 42.92 43.14 3hy2 s ASP 134 CO 0.08 -2.89 1.58 -0.90 0.68 0.00 0.00 175.17 173.72 3hy2 n ASP 135 N -3.84 0.42 -0.80 2.11 5.75 -1.24 -0.90 116.55 118.05 3hy2 n ASP 135 Ca 0.17 0.62 0.12 0.00 -0.01 0.00 0.00 54.79 55.69 3hy2 n ASP 135 Cb 0.59 -0.71 0.29 0.00 -1.03 0.00 0.00 41.12 40.26 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 -1.99 2.08 -0.60 0.11 5.02 -1.26 -0.12 118.16 121.41 3hy2 n LYS 136 Ca 0.02 -1.59 0.00 0.00 -2.02 0.00 0.00 58.31 54.72 3hy2 n LYS 136 Cb 0.17 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 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 1.30 0.71 3.73 0.72 0.00 -0.08 -5.01 105.19 106.56 3hy2 n GLY 137 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.11 5.12 0.05 -0.61 -1.09 -1.26 -0.69 121.20 120.61 3hy2 s ILE 138 Ca 0.00 1.10 -0.31 0.00 -2.23 0.00 0.00 60.65 59.21 3hy2 s ILE 138 Cb 0.00 -3.88 -0.08 0.00 -1.58 0.00 0.00 42.46 36.92 3hy2 s ILE 138 CO 0.00 0.32 1.61 -0.22 -1.23 0.00 0.00 174.94 175.42 3hy2 s LEU 139 N 0.54 4.35 -0.02 2.97 2.96 -0.41 -0.14 118.68 128.93 3hy2 s LEU 139 Ca 0.29 2.40 0.05 0.00 -0.22 0.00 0.00 54.13 56.66 3hy2 s LEU 139 Cb -0.16 -3.56 -0.08 0.00 0.50 0.00 0.00 46.19 42.89 3hy2 s LEU 139 CO 0.13 -0.86 0.09 0.54 -1.32 0.00 0.00 176.35 174.93 3hy2 n ARG 140 N 5.66 1.06 -3.69 1.98 5.12 0.17 -0.86 116.66 126.09 3hy2 n ARG 140 Ca 0.15 -0.04 -0.11 0.00 -1.93 0.00 0.00 57.85 55.93 3hy2 n ARG 140 Cb 0.41 -1.13 -0.10 0.00 -1.16 0.00 0.00 32.46 30.48 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 -2.31 0.52 -0.14 5.56 -0.44 -1.04 -4.92 119.66 116.89 3hy2 s GLN 141 Ca -0.02 0.81 0.02 0.00 -2.50 0.00 0.00 55.36 53.66 3hy2 s GLN 141 Cb 0.03 0.14 0.00 0.00 -1.64 0.00 0.00 33.01 31.54 3hy2 s GLN 141 CO 0.23 -0.12 -0.19 0.42 0.50 0.00 0.00 175.29 176.13 3hy2 s ILE 142 N 0.94 2.41 -0.08 -2.34 1.01 -1.26 -1.69 121.20 120.18 3hy2 s ILE 142 Ca -0.05 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.73 3hy2 s ILE 142 Cb -0.06 -1.99 0.02 0.00 0.01 0.00 0.00 42.46 40.45 3hy2 s ILE 142 CO -0.08 0.53 -0.07 -0.89 0.00 0.00 0.00 174.94 174.43 3hy2 s THR 143 N 0.68 0.88 -0.06 2.92 2.01 0.29 -5.00 115.64 117.35 3hy2 s THR 143 Ca -0.09 -0.26 -0.01 0.00 0.31 0.00 0.00 61.69 61.65 3hy2 s THR 143 Cb -0.16 -0.88 0.03 0.00 0.01 0.00 0.00 72.50 71.49 3hy2 s THR 143 CO 0.02 0.32 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.58 3hy2 s VAL 144 N 1.30 0.37 -0.02 3.82 1.01 -1.26 0.14 120.40 125.76 3hy2 s VAL 144 Ca -0.04 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.05 3hy2 s VAL 144 Cb -0.14 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 3hy2 s VAL 144 CO -0.03 0.24 -0.04 0.20 0.00 0.00 0.00 175.10 175.47 3hy2 s ASN 145 N 1.69 4.83 0.87 3.32 0.01 -0.32 -4.96 114.94 120.38 3hy2 s ASN 145 Ca 0.01 -0.06 -0.12 0.00 -0.71 0.00 0.00 52.86 51.97 3hy2 s ASN 145 Cb -0.13 -1.21 0.09 0.00 0.41 0.00 0.00 41.25 40.41 3hy2 s ASN 145 CO -0.04 0.30 0.98 -0.67 -1.51 0.00 0.00 177.10 176.16 3hy2 n ASP 146 N 1.66 0.02 -0.32 -1.22 2.03 -1.26 -2.53 116.55 114.93 3hy2 n ASP 146 Ca -0.16 0.48 0.08 0.00 0.52 0.00 0.00 54.79 55.72 3hy2 n ASP 146 Cb 0.53 -1.42 0.29 0.00 -0.72 0.00 0.00 41.12 39.80 3hy2 n ASP 146 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3hy2 h LEU 147 N -1.32 0.83 -0.74 -2.67 3.38 -1.98 -2.92 115.31 109.89 3hy2 h LEU 147 Ca -0.45 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3hy2 h LEU 147 Cb 1.29 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3hy2 h LEU 147 CO 0.42 0.45 0.00 -0.81 0.09 0.00 0.00 178.44 178.59 3hy2 n PRO 148 N -4.58 0.18 -4.76 1.13 -0.04 -1.26 -4.79 135.00 120.88 3hy2 n PRO 148 Ca 0.17 0.44 -0.32 0.00 -0.04 0.00 0.00 63.50 63.75 3hy2 n PRO 148 Cb 0.37 -1.86 -0.17 0.00 -0.04 0.00 0.00 33.50 31.80 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 -3.32 2.01 0.86 0.52 1.01 -1.10 -5.12 120.40 115.25 3hy2 s VAL 149 Ca 0.04 -0.96 -0.13 0.00 0.00 0.00 0.00 61.98 60.93 3hy2 s VAL 149 Cb 0.09 -1.77 0.12 0.00 0.00 0.00 0.00 36.38 34.82 3hy2 s VAL 149 CO 0.36 0.54 1.21 -0.83 0.00 0.00 0.00 175.10 176.38 3hy2 s GLY 150 N 0.73 1.64 0.22 4.51 0.00 -1.26 -4.77 107.32 108.39 3hy2 s GLY 150 Ca -0.09 -0.78 0.05 0.00 0.00 0.00 0.00 44.72 43.89 3hy2 s GLY 150 CO 0.00 -0.21 0.34 0.50 0.00 0.00 0.00 173.10 173.73 3hy2 s ARG 151 N -5.63 3.42 -0.17 2.90 0.52 -1.26 -5.08 118.95 113.66 3hy2 s ARG 151 Ca 0.65 -0.74 -0.05 0.00 -0.52 0.00 0.00 55.73 55.08 3hy2 s ARG 151 Cb -0.10 -2.89 -0.03 0.00 0.52 0.00 0.00 34.95 32.45 3hy2 s ARG 151 CO 0.50 0.45 -0.01 0.45 0.02 0.00 0.00 175.30 176.71 3hy2 s SER 152 N -3.83 4.97 0.15 0.23 0.15 -1.26 -4.98 113.70 109.13 3hy2 s SER 152 Ca 0.34 -0.10 -0.15 0.00 0.70 0.00 0.00 55.95 56.73 3hy2 s SER 152 Cb -0.09 -1.83 0.02 0.00 -1.71 0.00 0.00 66.02 62.41 3hy2 s SER 152 CO 0.29 0.14 1.74 0.58 1.20 0.00 0.00 173.24 177.19 3hy2 h VAL 153 N 5.15 1.17 -0.29 4.45 2.07 -1.96 -1.96 116.25 124.88 3hy2 h VAL 153 Ca -0.33 -0.47 0.05 0.00 0.82 0.00 0.00 66.70 66.77 3hy2 h VAL 153 Cb 1.18 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 3hy2 h VAL 153 CO 0.64 0.18 0.02 0.44 0.02 0.00 0.00 177.57 178.87 3hy2 h ASP 154 N 0.58 -0.07 -0.98 0.57 3.45 -1.99 -0.15 116.42 117.83 3hy2 h ASP 154 Ca 0.15 0.06 0.02 0.00 0.43 0.00 0.00 57.03 57.70 3hy2 h ASP 154 Cb 0.09 0.10 -0.05 0.00 -0.56 0.00 0.00 39.33 38.90 3hy2 h ASP 154 CO -0.02 -0.00 0.65 -0.08 -1.57 0.00 0.00 179.24 178.22 3hy2 h GLU 155 N 0.12 1.25 -0.11 3.56 4.57 -1.96 -1.70 114.58 120.31 3hy2 h GLU 155 Ca 0.14 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.22 3hy2 h GLU 155 Cb 0.17 -0.28 -0.00 0.00 -0.16 0.00 0.00 28.75 28.48 3hy2 h GLU 155 CO -0.22 0.83 -0.01 1.15 -1.18 0.00 0.00 179.01 179.59 3hy2 h THR 156 N 1.29 1.26 -0.78 0.32 2.02 -0.54 -2.06 112.91 114.42 3hy2 h THR 156 Ca 0.37 -0.85 0.02 0.00 0.77 0.00 0.00 66.41 66.73 3hy2 h THR 156 Cb -0.08 1.60 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 3hy2 h THR 156 CO -0.10 0.24 0.50 -0.07 0.37 0.00 0.00 175.52 176.47 3hy2 h LEU 157 N -0.08 0.85 -0.41 2.58 3.38 -1.00 -1.19 115.31 119.44 3hy2 h LEU 157 Ca 0.03 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.07 3hy2 h LEU 157 Cb 0.38 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 40.86 3hy2 h LEU 157 CO 0.01 0.59 -0.11 -0.09 0.09 0.00 0.00 178.44 178.93 3hy2 h ARG 158 N 1.00 -0.01 0.07 1.13 2.43 -1.21 -1.59 114.38 116.19 3hy2 h ARG 158 Ca 0.30 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.47 3hy2 h ARG 158 Cb -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3hy2 h ARG 158 CO -0.10 -0.01 -0.03 -0.07 -1.51 0.00 0.00 179.97 178.25 3hy2 h LEU 159 N -0.01 -0.08 -0.46 3.80 3.38 -0.91 -1.22 115.31 119.80 3hy2 h LEU 159 Ca 0.20 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.16 3hy2 h LEU 159 Cb 0.31 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 3hy2 h LEU 159 CO -0.42 0.03 0.12 0.58 0.09 0.00 0.00 178.44 178.84 3hy2 h VAL 160 N -0.18 0.79 -0.55 1.22 2.07 -1.16 -1.17 116.25 117.27 3hy2 h VAL 160 Ca -0.01 -0.09 -0.09 0.00 0.82 0.00 0.00 66.70 67.33 3hy2 h VAL 160 Cb 0.15 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3hy2 h VAL 160 CO 0.02 0.05 0.00 1.56 0.02 0.00 0.00 177.57 179.22 3hy2 h GLN 161 N 0.27 0.97 -0.59 1.57 4.20 -1.26 -1.83 115.11 118.44 3hy2 h GLN 161 Ca 0.23 -0.31 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 3hy2 h GLN 161 Cb 0.27 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.93 3hy2 h GLN 161 CO -0.27 0.97 0.26 0.00 -0.67 0.00 0.00 178.83 179.13 3hy2 h ALA 162 N 0.96 0.76 -0.53 3.87 0.00 -0.83 -0.10 119.26 123.40 3hy2 h ALA 162 Ca 0.16 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3hy2 h ALA 162 Cb 0.54 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3hy2 h ALA 162 CO 0.03 0.35 0.24 0.74 0.00 0.00 0.00 179.25 180.61 3hy2 h PHE 163 N 0.81 0.77 -0.51 0.00 -1.00 -1.17 -2.92 116.94 112.91 3hy2 h PHE 163 Ca 0.20 -0.04 -0.11 0.00 2.81 0.00 0.00 57.97 60.83 3hy2 h PHE 163 Cb 0.15 -0.24 -0.02 0.00 3.61 0.00 0.00 35.95 39.46 3hy2 h PHE 163 CO 0.00 0.61 -0.12 1.96 -1.61 0.00 0.00 178.31 179.15 3hy2 h GLN 164 N 0.70 0.96 -0.34 1.51 4.20 -1.17 -0.85 115.11 120.12 3hy2 h GLN 164 Ca 0.18 -0.35 0.07 0.00 0.06 0.00 0.00 58.65 58.61 3hy2 h GLN 164 Cb 0.14 -0.06 -0.08 0.00 0.30 0.00 0.00 27.48 27.78 3hy2 h GLN 164 CO -0.02 1.02 -0.17 0.35 -0.67 0.00 0.00 178.83 179.34 3hy2 h PHE 165 N 0.85 -0.42 -0.22 2.96 3.57 -0.96 -0.77 116.94 121.94 3hy2 h PHE 165 Ca 0.13 0.04 -0.16 0.00 3.53 0.00 0.00 57.97 61.51 3hy2 h PHE 165 Cb 0.67 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 3hy2 h PHE 165 CO 0.04 -0.25 -0.52 1.15 -2.23 0.00 0.00 178.31 176.51 3hy2 h THR 166 N -0.12 1.31 -0.20 4.41 2.02 -1.30 -2.42 112.91 116.61 3hy2 h THR 166 Ca 0.17 -1.74 0.03 0.00 0.77 0.00 0.00 66.41 65.64 3hy2 h THR 166 Cb 0.38 1.69 -0.03 0.00 -1.74 0.00 0.00 68.15 68.46 3hy2 h THR 166 CO -0.42 0.55 0.03 0.44 0.37 0.00 0.00 175.52 176.49 3hy2 h ASP 167 N 0.49 -0.02 -0.10 4.18 3.32 -1.00 -2.93 116.42 120.37 3hy2 h ASP 167 Ca 0.02 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 3hy2 h ASP 167 Cb 1.07 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 3hy2 h ASP 167 CO 0.10 0.02 -0.11 0.50 -1.72 0.00 0.00 179.24 178.03 3hy2 h LYS 168 N 0.10 0.42 0.00 3.56 3.64 -0.98 -1.60 116.57 121.71 3hy2 h LYS 168 Ca 0.09 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3hy2 h LYS 168 Cb 0.10 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3hy2 h LYS 168 CO -0.13 0.54 0.00 0.72 -2.27 0.00 0.00 179.45 178.31 3hy2 n HIS 169 N -4.23 0.00 1.11 1.91 8.25 -0.93 -2.54 115.22 118.79 3hy2 n HIS 169 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 3hy2 n HIS 169 Cb 0.30 0.00 0.16 0.00 1.12 0.00 0.00 29.99 31.57 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 0.52 -0.34 3.58 -1.41 0.00 -0.60 -4.66 105.19 102.28 3hy2 n GLY 170 Ca 0.06 -0.53 -0.39 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.53 3.56 0.20 1.61 2.02 -1.05 -4.94 118.70 117.56 3hy2 s GLU 171 Ca 0.20 -1.59 0.08 0.00 0.02 0.00 0.00 54.97 53.69 3hy2 s GLU 171 Cb 0.18 -5.42 -0.05 0.00 0.10 0.00 0.00 34.13 28.94 3hy2 s GLU 171 CO 0.57 -2.64 -0.15 0.14 0.02 0.00 0.00 175.26 173.20 3hy2 s VAL 172 N 5.97 1.77 0.19 2.63 -7.23 -1.26 -5.12 120.40 117.35 3hy2 s VAL 172 Ca 0.56 -2.18 0.08 0.00 -1.81 0.00 0.00 61.98 58.63 3hy2 s VAL 172 Cb 0.02 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.89 3hy2 s VAL 172 CO 0.05 -0.56 -0.16 -0.44 -0.31 0.00 0.00 175.10 173.68 3hy2 s SER 173 N -3.25 2.64 0.47 4.85 0.01 -1.26 -5.12 113.70 112.04 3hy2 s SER 173 Ca 0.22 -0.97 -0.24 0.00 1.31 0.00 0.00 55.95 56.27 3hy2 s SER 173 Cb -0.01 -0.15 -0.08 0.00 0.21 0.00 0.00 66.02 65.99 3hy2 s SER 173 CO 0.07 -0.12 1.32 -2.65 0.41 0.00 0.00 173.24 172.27 3hy2 n PRO 174 N -0.16 1.91 -0.22 12.44 -0.02 -1.26 -4.91 135.00 142.77 3hy2 n PRO 174 Ca -0.10 0.68 -0.04 0.00 -2.02 0.00 0.00 63.50 62.03 3hy2 n PRO 174 Cb 0.59 -2.48 0.13 0.00 -0.02 0.00 0.00 33.50 31.72 3hy2 n PRO 174 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hy2 h ALA 175 N 1.90 1.13 -1.94 3.55 0.00 -2.08 -3.46 119.26 118.36 3hy2 h ALA 175 Ca -0.49 -0.19 -0.24 0.00 0.00 0.00 0.00 54.91 53.98 3hy2 h ALA 175 Cb 1.29 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3hy2 h ALA 175 CO 0.59 0.61 -0.32 0.41 0.00 0.00 0.00 179.25 180.54 3hy2 n GLY 176 N -0.89 -0.11 3.08 0.00 0.00 -1.26 -5.01 105.19 101.00 3hy2 n GLY 176 Ca 0.06 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.66 -0.28 -0.11 1.61 -0.00 -1.26 -5.16 118.94 111.08 3hy2 s TRP 177 Ca 0.04 0.69 0.00 0.00 -0.00 0.00 0.00 56.10 56.83 3hy2 s TRP 177 Cb -0.02 0.06 0.02 0.00 -0.00 0.00 0.00 33.47 33.54 3hy2 s TRP 177 CO 0.04 -0.17 -0.11 0.15 -0.00 0.00 0.00 176.95 176.86 3hy2 s LYS 178 N 0.69 1.77 0.70 5.86 1.02 -1.26 -5.13 119.74 123.39 3hy2 s LYS 178 Ca -0.05 -0.37 -0.15 0.00 0.02 0.00 0.00 55.97 55.42 3hy2 s LYS 178 Cb -0.06 -1.67 0.02 0.00 -0.52 0.00 0.00 37.83 35.60 3hy2 s LYS 178 CO -0.04 -0.18 1.18 -2.14 -0.92 0.00 0.00 175.35 173.26 3hy2 s PRO 179 N 1.37 2.39 0.01 -1.68 0.02 -1.26 -4.87 135.00 130.98 3hy2 s PRO 179 Ca -0.00 1.68 -0.06 0.00 0.02 0.00 0.00 61.00 62.64 3hy2 s PRO 179 Cb -0.14 -1.87 0.02 0.00 0.02 0.00 0.00 34.50 32.53 3hy2 s PRO 179 CO -0.05 -1.63 0.26 0.41 -0.33 0.00 0.00 177.00 175.66 3hy2 n GLY 180 N 0.19 0.77 0.33 0.52 0.00 -1.26 -4.96 105.19 100.78 3hy2 n GLY 180 Ca 0.13 -0.91 0.18 0.00 0.00 0.00 0.00 46.02 45.41 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 0.44 0.00 1.53 1.61 4.64 -2.00 -1.99 113.55 117.77 3hy2 h SER 181 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3hy2 h SER 181 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3hy2 h SER 181 CO 0.07 0.00 -0.03 -2.24 -0.87 0.00 0.00 176.83 173.77 3hy2 h ASP 182 N 0.00 0.00 -0.18 4.97 2.03 -1.95 -3.31 116.42 117.98 3hy2 h ASP 182 Ca 0.04 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.33 3hy2 h ASP 182 Cb 0.26 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.76 3hy2 h ASP 182 CO -0.00 0.00 0.00 0.35 -1.03 0.00 0.00 179.24 178.56 3hy2 n THR 183 N -2.38 0.25 -1.83 1.15 -2.24 -0.75 -4.95 114.28 103.53 3hy2 n THR 183 Ca 0.05 -0.62 -0.42 0.00 -2.27 0.00 0.00 64.05 60.79 3hy2 n THR 183 Cb 0.45 1.20 -0.02 0.00 -2.10 0.00 0.00 70.33 69.86 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 -1.55 2.22 0.21 2.28 1.01 -1.24 -4.92 121.20 119.21 3hy2 s ILE 184 Ca 0.29 0.18 -0.32 0.00 0.00 0.00 0.00 60.65 60.80 3hy2 s ILE 184 Cb 0.19 -3.11 -0.12 0.00 0.01 0.00 0.00 42.46 39.42 3hy2 s ILE 184 CO 0.27 0.03 1.71 0.00 0.00 0.00 0.00 174.94 176.94 3hy2 s PRO 186 N 1.05 2.37 0.00 0.00 0.04 -1.26 -5.23 135.00 131.96 3hy2 s PRO 186 Ca 0.75 1.74 0.22 0.00 0.04 0.00 0.00 61.00 63.75 3hy2 s PRO 186 Cb -0.51 -1.86 1.33 0.00 0.04 0.00 0.00 34.50 33.49 3hy2 s PRO 186 CO 0.34 -1.66 1.70 -0.25 0.04 0.00 0.00 177.00 177.17