#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hg0 s VAL 35 N 0.00 1.74 0.12 3.44 1.01 -1.26 -5.08 120.40 120.37 3hg0 s VAL 35 Ca 0.00 -0.82 -0.31 0.00 0.00 0.00 0.00 61.98 60.85 3hg0 s VAL 35 Cb 0.00 -1.65 -0.09 0.00 0.00 0.00 0.00 36.38 34.64 3hg0 s VAL 35 CO 0.00 0.41 1.49 -0.69 0.00 0.00 0.00 175.10 176.31 3hg0 s VAL 36 N 1.40 3.02 0.39 2.92 1.01 -1.26 -4.99 120.40 122.89 3hg0 s VAL 36 Ca 0.03 0.69 0.08 0.00 0.00 0.00 0.00 61.98 62.78 3hg0 s VAL 36 Cb -0.14 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 3hg0 s VAL 36 CO -0.11 0.04 0.45 -1.00 0.00 0.00 0.00 175.10 174.49 3hg0 s HIS 37 N 1.37 2.84 -1.08 5.22 3.76 -1.26 -4.99 115.29 121.15 3hg0 s HIS 37 Ca 0.68 -0.39 0.27 0.00 -0.15 0.00 0.00 55.06 55.47 3hg0 s HIS 37 Cb -0.40 -2.17 1.20 0.00 1.11 0.00 0.00 32.58 32.33 3hg0 s HIS 37 CO 0.31 -0.17 1.88 1.63 -0.85 0.00 0.00 174.74 177.54 3hg0 n LYS 38 N -1.65 0.08 -4.24 1.40 5.02 -1.26 -4.81 118.16 112.69 3hg0 n LYS 38 Ca 0.04 0.03 -0.13 0.00 -2.02 0.00 0.00 58.31 56.23 3hg0 n LYS 38 Cb 0.60 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 34.01 3hg0 n LYS 38 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3hg0 s THR 39 N -2.92 0.57 0.00 -0.18 -4.23 -1.26 -5.12 115.64 102.50 3hg0 s THR 39 Ca 0.16 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 3hg0 s THR 39 Cb 0.18 -2.21 0.00 0.00 1.34 0.00 0.00 72.50 71.81 3hg0 s THR 39 CO 0.48 -0.38 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 3hg0 n GLY 40 N -0.26 0.53 3.66 3.99 0.00 -1.26 -4.93 105.19 106.91 3hg0 n GLY 40 Ca -0.05 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 3hg0 n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hg0 s ASP 41 N -0.96 7.05 0.08 1.61 1.01 -1.26 -4.94 116.67 119.26 3hg0 s ASP 41 Ca 0.00 1.31 0.00 0.00 0.71 0.00 0.00 52.55 54.57 3hg0 s ASP 41 Cb 0.00 -2.51 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 3hg0 s ASP 41 CO 0.00 -0.57 -0.04 -1.61 0.21 0.00 0.00 175.17 173.17 3hg0 s GLU 42 N 2.79 0.74 -0.16 8.23 2.02 -1.26 -5.14 118.70 125.92 3hg0 s GLU 42 Ca 0.42 -1.29 -0.01 0.00 0.02 0.00 0.00 54.97 54.11 3hg0 s GLU 42 Cb -0.16 0.03 -0.01 0.00 0.10 0.00 0.00 34.13 34.10 3hg0 s GLU 42 CO 0.09 -0.09 -0.11 0.99 0.02 0.00 0.00 175.26 176.16 3hg0 s THR 43 N -3.80 3.03 -0.20 3.63 2.01 -1.26 -5.09 115.64 113.95 3hg0 s THR 43 Ca 0.11 -0.64 -0.01 0.00 0.31 0.00 0.00 61.69 61.45 3hg0 s THR 43 Cb 0.07 -2.31 0.01 0.00 0.01 0.00 0.00 72.50 70.29 3hg0 s THR 43 CO -0.07 0.50 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.60 3hg0 s ILE 44 N 0.77 2.58 0.49 1.82 1.01 -1.26 -5.09 121.20 121.52 3hg0 s ILE 44 Ca -0.05 -0.81 0.08 0.00 0.00 0.00 0.00 60.65 59.87 3hg0 s ILE 44 Cb -0.15 -2.15 0.03 0.00 0.01 0.00 0.00 42.46 40.20 3hg0 s ILE 44 CO 0.01 0.46 0.56 0.00 0.00 0.00 0.00 174.94 175.97 3hg0 s ALA 45 N 1.35 4.46 0.00 9.38 0.00 -1.26 -5.03 121.76 130.66 3hg0 s ALA 45 Ca 0.05 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 50.20 3hg0 s ALA 45 Cb -0.14 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.71 3hg0 s ALA 45 CO -0.09 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 175.60 3hg0 n GLY 46 N -1.89 -1.20 3.48 0.00 0.00 -1.26 -4.87 105.19 99.46 3hg0 n GLY 46 Ca 0.08 -1.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.06 3hg0 n GLY 46 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hg0 s LYS 47 N -2.23 3.09 -0.16 1.61 2.20 -1.26 -5.06 119.74 117.93 3hg0 s LYS 47 Ca 0.00 -0.77 -0.19 0.00 -0.36 0.00 0.00 55.97 54.65 3hg0 s LYS 47 Cb 0.00 -3.97 -0.03 0.00 -1.51 0.00 0.00 37.83 32.32 3hg0 s LYS 47 CO 0.00 -0.86 0.55 0.15 -0.36 0.00 0.00 175.35 174.83 3hg0 s LYS 48 N 2.13 4.26 -0.24 4.03 -0.14 -1.26 -5.06 119.74 123.45 3hg0 s LYS 48 Ca 0.12 0.51 -0.00 0.00 -1.36 0.00 0.00 55.97 55.24 3hg0 s LYS 48 Cb -0.17 -3.52 0.04 0.00 -1.68 0.00 0.00 37.83 32.49 3hg0 s LYS 48 CO 0.14 -0.07 -0.09 0.99 -0.76 0.00 0.00 175.35 175.56 3hg0 s THR 49 N 1.34 2.59 -0.28 2.17 2.01 -1.26 -5.09 115.64 117.12 3hg0 s THR 49 Ca 0.27 -1.19 -0.19 0.00 0.31 0.00 0.00 61.69 60.89 3hg0 s THR 49 Cb -0.16 -2.34 -0.02 0.00 0.01 0.00 0.00 72.50 69.99 3hg0 s THR 49 CO 0.11 0.17 0.57 -0.36 -0.69 0.00 0.00 174.62 174.42 3hg0 s PHE 50 N 1.26 3.25 -0.90 4.92 0.40 -1.26 -4.93 117.98 120.72 3hg0 s PHE 50 Ca -0.02 0.61 0.24 0.00 -0.60 0.00 0.00 56.93 57.17 3hg0 s PHE 50 Cb -0.17 -2.83 0.40 0.00 0.51 0.00 0.00 43.02 40.92 3hg0 s PHE 50 CO -0.06 -0.37 1.34 0.25 0.70 0.00 0.00 175.22 177.08 3hg0 n THR 51 N 5.26 0.08 -0.75 0.64 -2.24 -1.26 -4.88 114.28 111.12 3hg0 n THR 51 Ca -0.03 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 3hg0 n THR 51 Cb 0.49 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 3hg0 n THR 51 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hg0 n GLY 52 N 1.46 3.32 3.88 3.38 0.00 -1.26 -5.11 105.19 110.86 3hg0 n GLY 52 Ca 0.05 -1.78 -0.37 0.00 0.00 0.00 0.00 46.02 43.92 3hg0 n GLY 52 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hg0 s ASN 53 N -0.12 6.42 0.01 1.61 0.01 -1.26 -5.10 114.94 116.51 3hg0 s ASN 53 Ca 0.00 0.50 0.08 0.00 -0.71 0.00 0.00 52.86 52.73 3hg0 s ASN 53 Cb 0.00 -2.08 -0.02 0.00 0.41 0.00 0.00 41.25 39.55 3hg0 s ASN 53 CO 0.00 0.40 -0.24 -0.69 -1.51 0.00 0.00 177.10 175.05 3hg0 s VAL 54 N -1.04 2.24 -0.06 1.60 1.01 -1.26 -5.12 120.40 117.77 3hg0 s VAL 54 Ca 0.16 -1.18 0.02 0.00 0.00 0.00 0.00 61.98 60.98 3hg0 s VAL 54 Cb -0.12 -1.83 0.01 0.00 0.00 0.00 0.00 36.38 34.44 3hg0 s VAL 54 CO 0.05 0.48 -0.10 -1.61 0.00 0.00 0.00 175.10 173.92 3hg0 s GLU 55 N -0.92 1.40 -0.24 2.72 2.02 -1.26 -5.12 118.70 117.29 3hg0 s GLU 55 Ca 0.11 -0.32 0.02 0.00 0.02 0.00 0.00 54.97 54.80 3hg0 s GLU 55 Cb -0.10 -1.21 0.05 0.00 0.10 0.00 0.00 34.13 32.97 3hg0 s GLU 55 CO 0.01 0.01 -0.12 0.08 0.02 0.00 0.00 175.26 175.26 3hg0 s VAL 56 N 0.67 2.07 -0.00 2.63 1.01 -1.26 -5.01 120.40 120.51 3hg0 s VAL 56 Ca -0.13 -1.45 -0.21 0.00 0.00 0.00 0.00 61.98 60.19 3hg0 s VAL 56 Cb -0.15 -2.14 -0.21 0.00 0.00 0.00 0.00 36.38 33.89 3hg0 s VAL 56 CO 0.03 0.07 1.15 0.78 0.00 0.00 0.00 175.10 177.12 3hg0 h ASN 57 N 7.83 0.41 0.00 3.32 2.35 -2.07 -3.45 115.58 123.97 3hg0 h ASN 57 Ca -0.24 -0.69 0.00 0.00 -0.55 0.00 0.00 56.30 54.83 3hg0 h ASN 57 Cb 1.06 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.31 3hg0 h ASN 57 CO 0.49 1.04 0.00 0.61 -1.65 0.00 0.00 177.43 177.91 3hg0 n GLY 58 N 0.82 -0.35 3.44 2.83 0.00 -1.26 -5.05 105.19 105.61 3hg0 n GLY 58 Ca -0.09 -0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.53 3hg0 n GLY 58 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hg0 s SER 59 N -1.31 3.41 -0.22 1.61 1.04 -1.26 -5.11 113.70 111.86 3hg0 s SER 59 Ca 0.00 -0.97 0.02 0.00 0.48 0.00 0.00 55.95 55.48 3hg0 s SER 59 Cb 0.00 -0.27 0.04 0.00 0.10 0.00 0.00 66.02 65.90 3hg0 s SER 59 CO 0.00 0.04 -0.13 -0.22 0.98 0.00 0.00 173.24 173.91 3hg0 s LEU 60 N -3.20 2.74 -0.21 2.42 2.96 -1.26 -5.10 118.68 117.03 3hg0 s LEU 60 Ca 0.26 -1.04 -0.08 0.00 -0.22 0.00 0.00 54.13 53.04 3hg0 s LEU 60 Cb -0.06 -1.44 -0.04 0.00 0.50 0.00 0.00 46.19 45.15 3hg0 s LEU 60 CO 0.12 -0.12 0.09 -0.89 -1.32 0.00 0.00 176.35 174.23 3hg0 s THR 61 N 1.24 4.85 0.38 3.68 2.01 -1.26 -5.09 115.64 121.44 3hg0 s THR 61 Ca -0.03 -0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.04 3hg0 s THR 61 Cb -0.17 -3.22 -0.02 0.00 0.01 0.00 0.00 72.50 69.09 3hg0 s THR 61 CO -0.08 0.40 0.34 -0.76 -0.69 0.00 0.00 174.62 173.83 3hg0 s LEU 62 N 0.82 3.47 0.17 4.42 1.43 -1.26 -5.07 118.68 122.66 3hg0 s LEU 62 Ca 0.05 -0.65 -0.31 0.00 -1.03 0.00 0.00 54.13 52.19 3hg0 s LEU 62 Cb -0.13 -2.10 -0.10 0.00 0.03 0.00 0.00 46.19 43.89 3hg0 s LEU 62 CO 0.02 -0.52 1.51 -2.84 0.23 0.00 0.00 176.35 174.75 3hg0 s PRO 63 N -4.07 4.24 0.15 1.29 0.02 -1.26 -4.73 135.00 130.65 3hg0 s PRO 63 Ca 0.45 2.30 0.11 0.00 0.02 0.00 0.00 61.00 63.88 3hg0 s PRO 63 Cb -0.04 -3.16 -0.04 0.00 0.02 0.00 0.00 34.50 31.28 3hg0 s PRO 63 CO 0.27 -0.54 -0.25 0.95 -0.33 0.00 0.00 177.00 177.10 3hg0 s THR 64 N 0.91 2.22 -0.27 0.99 -4.23 -1.25 -1.37 115.64 112.64 3hg0 s THR 64 Ca 0.67 -1.85 -0.24 0.00 -1.18 0.00 0.00 61.69 59.09 3hg0 s THR 64 Cb -0.42 -2.00 0.08 0.00 1.34 0.00 0.00 72.50 71.51 3hg0 s THR 64 CO 0.33 -0.03 0.79 -0.75 -0.54 0.00 0.00 174.62 174.42 3hg0 s LYS 65 N -2.33 0.74 -0.02 3.99 2.20 -0.51 -4.95 119.74 118.87 3hg0 s LYS 65 Ca 0.16 0.93 0.07 0.00 -0.36 0.00 0.00 55.97 56.77 3hg0 s LYS 65 Cb -0.09 0.34 -0.02 0.00 -1.51 0.00 0.00 37.83 36.55 3hg0 s LYS 65 CO 0.07 -0.10 -0.22 -1.12 -0.36 0.00 0.00 175.35 173.63 3hg0 s SER 66 N 0.50 3.40 0.12 1.43 0.01 -1.26 0.41 113.70 118.30 3hg0 s SER 66 Ca -0.01 -0.39 -0.00 0.00 1.31 0.00 0.00 55.95 56.86 3hg0 s SER 66 Cb -0.05 -0.51 -0.04 0.00 0.21 0.00 0.00 66.02 65.63 3hg0 s SER 66 CO -0.03 0.32 0.02 0.86 0.41 0.00 0.00 173.24 174.82 3hg0 s TRP 67 N -0.68 0.86 -0.21 2.43 -0.00 -0.13 -5.01 118.94 116.20 3hg0 s TRP 67 Ca 0.11 -1.13 -0.28 0.00 -0.00 0.00 0.00 56.10 54.80 3hg0 s TRP 67 Cb -0.10 -0.51 0.11 0.00 -0.00 0.00 0.00 33.47 32.97 3hg0 s TRP 67 CO 0.00 -0.40 0.94 0.45 -0.00 0.00 0.00 176.95 177.94 3hg0 s SER 68 N -3.04 -0.49 0.00 5.86 0.15 -1.26 -0.68 113.70 114.24 3hg0 s SER 68 Ca 0.19 0.76 0.00 0.00 0.70 0.00 0.00 55.95 57.61 3hg0 s SER 68 Cb 0.07 0.71 0.00 0.00 -1.71 0.00 0.00 66.02 65.09 3hg0 s SER 68 CO -0.01 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.75 3hg0 n GLY 69 N 1.60 0.76 3.61 9.45 0.00 -0.56 -5.00 105.19 115.04 3hg0 n GLY 69 Ca -0.13 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 3hg0 n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hg0 s GLU 70 N -2.00 3.88 0.42 1.61 2.12 -1.26 0.01 118.70 123.48 3hg0 s GLU 70 Ca 0.00 0.57 0.23 0.00 0.36 0.00 0.00 54.97 56.13 3hg0 s GLU 70 Cb 0.00 -3.77 0.62 0.00 0.26 0.00 0.00 34.13 31.23 3hg0 s GLU 70 CO 0.00 -0.84 1.70 -0.07 -0.54 0.00 0.00 175.26 175.51 3hg0 h LEU 71 N 9.80 0.00 0.00 2.70 3.38 -1.18 -2.86 115.31 127.14 3hg0 h LEU 71 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3hg0 h LEU 71 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3hg0 h LEU 71 CO 0.94 0.17 0.00 0.61 0.09 0.00 0.00 178.44 180.25 3hg0 n GLY 72 N 0.68 4.16 3.45 0.83 0.00 -1.24 -1.80 105.19 111.27 3hg0 n GLY 72 Ca 0.02 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.45 3hg0 n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hg0 n GLY 73 N -1.83 1.05 0.26 -0.02 0.00 -1.26 -1.59 105.19 101.79 3hg0 n GLY 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hg0 n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hg0 n GLY 74 N -2.00 0.35 3.72 -0.02 0.00 -1.26 0.74 105.19 106.72 3hg0 n GLY 74 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3hg0 n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hg0 s ILE 75 N -2.11 4.18 -0.07 -0.61 1.01 -0.62 -1.97 121.20 121.00 3hg0 s ILE 75 Ca 0.00 1.65 0.01 0.00 0.00 0.00 0.00 60.65 62.31 3hg0 s ILE 75 Cb 0.00 -4.05 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 3hg0 s ILE 75 CO 0.00 0.17 -0.09 -0.63 0.00 0.00 0.00 174.94 174.39 3hg0 s ILE 76 N 0.67 3.51 -0.11 2.92 1.01 -0.18 -0.76 121.20 128.26 3hg0 s ILE 76 Ca 0.54 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.66 3hg0 s ILE 76 Cb -0.27 -2.42 0.02 0.00 0.01 0.00 0.00 42.46 39.79 3hg0 s ILE 76 CO 0.30 0.59 -0.15 -0.22 0.00 0.00 0.00 174.94 175.47 3hg0 s LEU 77 N -0.72 1.71 -0.21 2.97 2.96 0.10 -0.79 118.68 124.70 3hg0 s LEU 77 Ca 0.11 -0.44 -0.04 0.00 -0.22 0.00 0.00 54.13 53.54 3hg0 s LEU 77 Cb -0.11 -1.10 -0.02 0.00 0.50 0.00 0.00 46.19 45.46 3hg0 s LEU 77 CO 0.01 0.00 -0.02 -0.44 -1.32 0.00 0.00 176.35 174.58 3hg0 s SER 78 N 1.07 4.57 -0.01 3.68 0.01 -0.83 -1.50 113.70 120.68 3hg0 s SER 78 Ca -0.05 -0.29 0.07 0.00 1.31 0.00 0.00 55.95 57.00 3hg0 s SER 78 Cb -0.15 -1.78 -0.02 0.00 0.21 0.00 0.00 66.02 64.29 3hg0 s SER 78 CO -0.03 0.03 -0.24 -0.76 0.41 0.00 0.00 173.24 172.65 3hg0 s LEU 79 N 1.19 2.05 -0.06 2.44 1.43 0.14 -0.47 118.68 125.41 3hg0 s LEU 79 Ca 0.03 -0.44 -0.01 0.00 -1.03 0.00 0.00 54.13 52.67 3hg0 s LEU 79 Cb -0.14 -1.24 0.03 0.00 0.03 0.00 0.00 46.19 44.87 3hg0 s LEU 79 CO 0.00 0.29 0.02 -0.60 0.23 0.00 0.00 176.35 176.29 3hg0 s ARG 80 N -0.60 0.36 -0.28 1.70 3.52 0.13 -0.95 118.95 122.82 3hg0 s ARG 80 Ca 0.09 0.19 -0.25 0.00 -0.13 0.00 0.00 55.73 55.63 3hg0 s ARG 80 Cb -0.09 -0.77 0.00 0.00 -1.56 0.00 0.00 34.95 32.53 3hg0 s ARG 80 CO -0.01 -0.29 0.86 0.21 -0.81 0.00 0.00 175.30 175.26 3hg0 s LYS 81 N 1.92 4.07 -0.40 5.12 2.20 0.17 0.06 119.74 132.87 3hg0 s LYS 81 Ca 0.03 0.82 0.03 0.00 -0.36 0.00 0.00 55.97 56.49 3hg0 s LYS 81 Cb -0.12 -3.70 0.11 0.00 -1.51 0.00 0.00 37.83 32.61 3hg0 s LYS 81 CO -0.04 -0.65 0.13 0.15 -0.36 0.00 0.00 175.35 174.57 3hg0 s LYS 82 N 3.03 1.68 7.34 4.03 1.02 0.19 -1.43 119.74 135.60 3hg0 s LYS 82 Ca 0.36 -2.05 0.00 0.00 0.02 0.00 0.00 55.97 54.29 3hg0 s LYS 82 Cb -0.14 -3.29 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 3hg0 s LYS 82 CO 0.11 -1.00 0.00 0.41 -0.92 0.00 0.00 175.35 173.95 3hg0 n GLY 83 N 4.02 2.27 1.56 -3.33 0.00 -0.47 -2.29 105.19 106.95 3hg0 n GLY 83 Ca 0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 46.02 45.69 3hg0 n GLY 83 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hg0 n THR 84 N 0.00 2.70 -5.07 2.61 -2.24 -1.26 -4.91 114.28 106.11 3hg0 n THR 84 Ca 0.00 -1.89 -0.32 0.00 -2.27 0.00 0.00 64.05 59.57 3hg0 n THR 84 Cb 0.00 -0.32 -0.15 0.00 -2.10 0.00 0.00 70.33 67.76 3hg0 n THR 84 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3hg0 s THR 85 N -2.99 2.54 -0.24 4.28 2.01 -0.97 -1.80 115.64 118.47 3hg0 s THR 85 Ca 0.50 -0.89 -0.07 0.00 0.31 0.00 0.00 61.69 61.54 3hg0 s THR 85 Cb 0.41 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 70.92 3hg0 s THR 85 CO 0.10 0.57 0.06 -0.69 -0.69 0.00 0.00 174.62 173.96 3hg0 s VAL 86 N -0.25 4.27 -0.05 3.82 1.01 -0.48 0.53 120.40 129.25 3hg0 s VAL 86 Ca -0.00 -0.19 -0.18 0.00 0.00 0.00 0.00 61.98 61.61 3hg0 s VAL 86 Cb -0.13 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 3hg0 s VAL 86 CO 0.03 0.36 0.51 -1.61 0.00 0.00 0.00 175.10 174.39 3hg0 s GLU 87 N 1.42 4.25 0.12 2.72 2.02 0.11 -1.81 118.70 127.52 3hg0 s GLU 87 Ca 0.05 0.54 0.06 0.00 0.02 0.00 0.00 54.97 55.64 3hg0 s GLU 87 Cb -0.15 -3.36 -0.04 0.00 0.10 0.00 0.00 34.13 30.69 3hg0 s GLU 87 CO 0.03 0.34 -0.14 1.52 0.02 0.00 0.00 175.26 177.03 3hg0 s TYR 88 N -0.02 1.38 -0.03 1.61 1.13 -0.41 0.19 117.35 121.19 3hg0 s TYR 88 Ca 0.27 -0.55 -0.00 0.00 -1.41 0.00 0.00 57.07 55.38 3hg0 s TYR 88 Cb -0.17 -0.73 0.03 0.00 -1.10 0.00 0.00 41.96 40.00 3hg0 s TYR 88 CO 0.13 0.13 0.02 0.45 -2.51 0.00 0.00 175.55 173.78 3hg0 s SER 89 N -2.39 0.45 -0.09 -0.18 0.15 0.38 -1.88 113.70 110.14 3hg0 s SER 89 Ca 0.08 0.01 -0.19 0.00 0.70 0.00 0.00 55.95 56.55 3hg0 s SER 89 Cb -0.05 -0.17 -0.04 0.00 -1.71 0.00 0.00 66.02 64.05 3hg0 s SER 89 CO 0.03 -0.14 0.52 -0.63 1.20 0.00 0.00 173.24 174.22 3hg0 s ILE 90 N 1.25 5.12 0.00 6.45 1.01 0.15 -1.96 121.20 133.22 3hg0 s ILE 90 Ca -0.07 1.05 0.00 0.00 0.00 0.00 0.00 60.65 61.63 3hg0 s ILE 90 Cb -0.13 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.48 3hg0 s ILE 90 CO -0.03 0.34 0.00 0.61 0.00 0.00 0.00 174.94 175.87 3hg0 n GLY 91 N 3.04 5.30 5.34 6.18 0.00 0.03 -3.35 105.19 121.74 3hg0 n GLY 91 Ca -0.07 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.55 3hg0 n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hg0 n GLY 92 N 0.19 -1.56 3.44 -0.02 0.00 -1.26 -1.01 105.19 104.96 3hg0 n GLY 92 Ca 0.00 -1.47 -0.08 0.00 0.00 0.00 0.00 46.02 44.47 3hg0 n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hg0 s GLU 93 N 0.00 0.50 -0.13 1.61 2.12 -0.83 -4.04 118.70 117.93 3hg0 s GLU 93 Ca 0.00 1.06 -0.31 0.00 0.36 0.00 0.00 54.97 56.08 3hg0 s GLU 93 Cb 0.00 0.21 -0.09 0.00 0.26 0.00 0.00 34.13 34.52 3hg0 s GLU 93 CO 0.00 -0.18 2.06 -0.89 -0.54 0.00 0.00 175.26 175.71 3hg0 n ILE 94 N 4.65 0.51 0.02 -3.70 5.41 -0.36 -4.35 119.36 121.54 3hg0 n ILE 94 Ca -0.18 -0.25 0.00 0.00 1.00 0.00 0.00 62.75 63.32 3hg0 n ILE 94 Cb 0.54 -2.20 0.01 0.00 -0.71 0.00 0.00 39.64 37.29 3hg0 n ILE 94 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 3hg0 n SER 95 N 8.95 1.37 -3.81 4.38 3.41 0.23 -4.23 113.62 123.93 3hg0 n SER 95 Ca 0.27 -1.33 -0.12 0.00 -0.26 0.00 0.00 58.87 57.43 3hg0 n SER 95 Cb 0.37 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.25 3hg0 n SER 95 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3hg0 s SER 96 N -0.35 0.30 0.46 4.04 0.01 -1.17 -4.96 113.70 112.03 3hg0 s SER 96 Ca 0.01 -1.22 -0.23 0.00 1.31 0.00 0.00 55.95 55.82 3hg0 s SER 96 Cb 0.01 0.56 -0.07 0.00 0.21 0.00 0.00 66.02 66.73 3hg0 s SER 96 CO 0.01 -1.11 1.19 -0.55 0.41 0.00 0.00 173.24 173.18 3hg0 s SER 97 N -3.12 6.10 -0.15 2.44 0.15 -1.26 -4.28 113.70 113.58 3hg0 s SER 97 Ca 0.29 2.36 -0.04 0.00 0.70 0.00 0.00 55.95 59.26 3hg0 s SER 97 Cb 0.01 -2.61 0.06 0.00 -1.71 0.00 0.00 66.02 61.78 3hg0 s SER 97 CO 0.13 -0.97 0.14 -0.63 1.20 0.00 0.00 173.24 173.12 3hg0 s ILE 98 N -1.51 -0.20 0.48 6.45 1.01 0.61 -4.86 121.20 123.18 3hg0 s ILE 98 Ca 0.64 0.01 -0.22 0.00 0.00 0.00 0.00 60.65 61.09 3hg0 s ILE 98 Cb -0.30 -0.51 -0.07 0.00 0.01 0.00 0.00 42.46 41.59 3hg0 s ILE 98 CO 0.36 -0.13 1.11 -0.76 0.00 0.00 0.00 174.94 175.52 3hg0 s LEU 99 N 2.23 3.93 0.34 2.97 1.43 -1.26 -1.16 118.68 127.16 3hg0 s LEU 99 Ca 0.04 2.14 -0.29 0.00 -1.03 0.00 0.00 54.13 54.99 3hg0 s LEU 99 Cb -0.15 -4.39 -0.11 0.00 0.03 0.00 0.00 46.19 41.56 3hg0 s LEU 99 CO -0.09 -0.89 1.50 0.00 0.23 0.00 0.00 176.35 177.10 3hg0 n ALA 100 N -0.74 2.27 -0.96 4.21 0.00 -1.26 -1.01 120.51 123.02 3hg0 n ALA 100 Ca 0.08 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3hg0 n ALA 100 Cb 0.50 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.54 3hg0 n ALA 100 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3hg0 n ASN 101 N 1.07 -5.36 -4.78 0.00 4.13 -0.66 -4.91 115.26 104.73 3hg0 n ASN 101 Ca 0.04 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 55.95 3hg0 n ASN 101 Cb 0.38 -3.26 -0.03 0.00 -1.54 0.00 0.00 39.78 35.33 3hg0 n ASN 101 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3hg0 s SER 102 N -2.00 6.38 0.37 6.41 1.04 -0.18 -4.69 113.70 121.03 3hg0 s SER 102 Ca 0.00 2.06 -0.26 0.00 0.48 0.00 0.00 55.95 58.24 3hg0 s SER 102 Cb 0.00 -2.58 -0.09 0.00 0.10 0.00 0.00 66.02 63.45 3hg0 s SER 102 CO 0.00 -0.76 1.08 0.20 0.98 0.00 0.00 173.24 174.75 3hg0 s ASN 103 N -1.70 6.83 -0.43 7.02 0.01 -1.26 -1.25 114.94 124.17 3hg0 s ASN 103 Ca 0.64 2.15 -0.17 0.00 -0.71 0.00 0.00 52.86 54.77 3hg0 s ASN 103 Cb -0.21 -2.60 0.03 0.00 0.41 0.00 0.00 41.25 38.87 3hg0 s ASN 103 CO 0.26 -0.44 0.43 -0.76 -1.51 0.00 0.00 177.10 175.08 3hg0 s LEU 104 N -2.32 4.95 0.00 0.60 1.43 0.77 -4.90 118.68 119.21 3hg0 s LEU 104 Ca 0.54 -0.76 0.16 0.00 -1.03 0.00 0.00 54.13 53.04 3hg0 s LEU 104 Cb -0.26 -2.35 0.15 0.00 0.03 0.00 0.00 46.19 43.75 3hg0 s LEU 104 CO 0.33 -0.60 1.04 1.33 0.23 0.00 0.00 176.35 178.68 3hg0 n VAL 105 N 5.40 0.05 0.03 -1.59 0.24 -1.19 -4.26 118.33 117.02 3hg0 n VAL 105 Ca -0.08 -0.52 -0.12 0.00 -2.04 0.00 0.00 64.34 61.57 3hg0 n VAL 105 Cb 0.47 1.30 -0.07 0.00 -1.47 0.00 0.00 33.84 34.06 3hg0 n VAL 105 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 3hg0 h ASN 106 N 3.21 -0.00 -4.29 -1.34 -1.24 -1.61 -3.44 115.58 106.87 3hg0 h ASN 106 Ca 0.00 -0.08 -0.20 0.00 0.71 0.00 0.00 56.30 56.73 3hg0 h ASN 106 Cb 0.69 0.00 -0.25 0.00 0.73 0.00 0.00 38.32 39.49 3hg0 h ASN 106 CO 0.00 0.08 -0.70 -0.13 -1.29 0.00 0.00 177.43 175.39 3hg0 s ARG 107 N -5.88 0.15 -0.05 6.67 0.52 -1.08 -4.95 118.95 114.33 3hg0 s ARG 107 Ca -0.13 -0.26 -0.04 0.00 -0.52 0.00 0.00 55.73 54.78 3hg0 s ARG 107 Cb 0.05 0.06 -0.04 0.00 0.52 0.00 0.00 34.95 35.54 3hg0 s ARG 107 CO 0.66 -0.03 0.15 -1.12 0.02 0.00 0.00 175.30 174.98 3hg0 s SER 108 N -0.65 6.26 0.13 0.23 0.01 -1.26 -4.55 113.70 113.87 3hg0 s SER 108 Ca -0.07 0.37 -0.31 0.00 1.31 0.00 0.00 55.95 57.24 3hg0 s SER 108 Cb -0.04 -1.97 -0.09 0.00 0.21 0.00 0.00 66.02 64.12 3hg0 s SER 108 CO -0.00 0.33 1.59 -0.69 0.41 0.00 0.00 173.24 174.87 3hg0 s VAL 109 N -1.18 2.77 0.75 3.43 1.01 -0.27 -4.95 120.40 121.95 3hg0 s VAL 109 Ca 0.21 0.48 -0.15 0.00 0.00 0.00 0.00 61.98 62.52 3hg0 s VAL 109 Cb -0.12 -3.31 0.05 0.00 0.00 0.00 0.00 36.38 33.00 3hg0 s VAL 109 CO 0.12 0.03 1.22 -2.84 0.00 0.00 0.00 175.10 173.63 3hg0 s PRO 110 N 1.59 2.00 0.20 2.72 0.02 -1.26 -4.52 135.00 135.75 3hg0 s PRO 110 Ca 0.71 1.81 -0.12 0.00 0.02 0.00 0.00 61.00 63.42 3hg0 s PRO 110 Cb -0.42 -1.81 0.24 0.00 0.02 0.00 0.00 34.50 32.52 3hg0 s PRO 110 CO 0.31 -1.95 1.69 -0.97 -0.33 0.00 0.00 177.00 175.75 3hg0 h ASN 111 N -0.40 -0.12 0.18 2.53 -0.73 -1.92 -1.23 115.58 113.88 3hg0 h ASN 111 Ca -0.48 0.12 0.00 0.00 1.87 0.00 0.00 56.30 57.81 3hg0 h ASN 111 Cb 1.30 0.19 0.00 0.00 0.27 0.00 0.00 38.32 40.08 3hg0 h ASN 111 CO 0.49 -0.04 0.00 -1.84 -0.37 0.00 0.00 177.43 175.67 3hg0 n GLU 112 N -5.19 0.09 0.00 6.67 0.28 -1.26 -0.17 120.64 121.06 3hg0 n GLU 112 Ca 0.07 0.52 0.11 0.00 -0.16 0.00 0.00 57.16 57.69 3hg0 n GLU 112 Cb 0.30 -1.75 -0.05 0.00 1.43 0.00 0.00 31.44 31.37 3hg0 n GLU 112 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3hg0 n PHE 113 N -1.94 0.00 -2.62 -1.84 3.72 -0.47 -4.97 117.46 109.33 3hg0 n PHE 113 Ca 0.00 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.00 3hg0 n PHE 113 Cb 0.07 -0.01 -0.05 0.00 -0.94 0.00 0.00 39.48 38.55 3hg0 n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hg0 s PRO 115 N -1.33 2.82 0.07 0.00 0.04 -1.26 -4.82 135.00 130.51 3hg0 s PRO 115 Ca 0.43 -0.01 -0.30 0.00 0.04 0.00 0.00 61.00 61.16 3hg0 s PRO 115 Cb -0.29 -2.24 -0.18 0.00 0.04 0.00 0.00 34.50 31.83 3hg0 s PRO 115 CO 0.36 -0.79 1.59 -0.09 0.04 0.00 0.00 177.00 178.11 3hg0 h ARG 116 N -0.26 -0.62 -6.17 4.56 2.43 -1.81 -3.32 114.38 109.19 3hg0 h ARG 116 Ca -0.45 0.04 -0.54 0.00 -0.81 0.00 0.00 59.98 58.22 3hg0 h ARG 116 Cb 1.26 0.14 -0.08 0.00 -0.42 0.00 0.00 29.97 30.88 3hg0 h ARG 116 CO 0.61 -0.39 -0.59 -0.80 -1.51 0.00 0.00 179.97 177.29 3hg0 s ASN 117 N -4.66 4.76 0.11 -3.80 0.02 -1.26 -4.49 114.94 105.62 3hg0 s ASN 117 Ca -0.16 -0.62 -0.36 0.00 -1.02 0.00 0.00 52.86 50.70 3hg0 s ASN 117 Cb 0.04 -0.90 -0.16 0.00 0.02 0.00 0.00 41.25 40.25 3hg0 s ASN 117 CO 0.62 -0.11 1.34 0.54 0.02 0.00 0.00 177.10 179.51 3hg0 n ARG 118 N -1.03 1.25 -5.02 -0.60 1.74 -1.26 -4.62 116.66 107.12 3hg0 n ARG 118 Ca -0.05 0.45 -0.32 0.00 -0.77 0.00 0.00 57.85 57.15 3hg0 n ARG 118 Cb 0.60 -2.09 -0.16 0.00 -1.02 0.00 0.00 32.46 29.78 3hg0 n ARG 118 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hg0 s SER 120 N 0.42 6.10 -0.36 0.00 0.01 -1.26 -0.76 113.70 117.85 3hg0 s SER 120 Ca -0.15 -0.78 -0.17 0.00 1.31 0.00 0.00 55.95 56.17 3hg0 s SER 120 Cb -0.17 -2.16 -0.00 0.00 0.21 0.00 0.00 66.02 63.90 3hg0 s SER 120 CO 0.07 -0.40 0.43 -0.76 0.41 0.00 0.00 173.24 172.98 3hg0 s LEU 121 N 1.70 4.49 0.21 2.44 1.43 0.92 -4.90 118.68 124.97 3hg0 s LEU 121 Ca 0.05 -0.25 -0.30 0.00 -1.03 0.00 0.00 54.13 52.61 3hg0 s LEU 121 Cb -0.19 -2.43 -0.08 0.00 0.03 0.00 0.00 46.19 43.52 3hg0 s LEU 121 CO 0.10 -0.44 1.03 -0.69 0.23 0.00 0.00 176.35 176.59 3hg0 s VAL 122 N 2.18 3.94 0.21 -1.59 1.01 -1.26 -0.84 120.40 124.04 3hg0 s VAL 122 Ca 0.14 1.79 -0.00 0.00 0.00 0.00 0.00 61.98 63.91 3hg0 s VAL 122 Cb -0.16 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 3hg0 s VAL 122 CO 0.13 0.36 0.10 -0.83 0.00 0.00 0.00 175.10 174.86 3hg0 s GLY 123 N -0.55 1.45 0.05 4.51 0.00 -0.43 -4.70 107.32 107.66 3hg0 s GLY 123 Ca 0.46 -1.71 0.02 0.00 0.00 0.00 0.00 44.72 43.48 3hg0 s GLY 123 CO 0.35 -1.46 -0.07 -1.58 0.00 0.00 0.00 173.10 170.33 3hg0 s HIS 124 N -3.99 0.68 -0.26 1.90 5.65 0.15 -1.66 115.29 117.76 3hg0 s HIS 124 Ca 0.36 -0.55 -0.13 0.00 0.25 0.00 0.00 55.06 54.99 3hg0 s HIS 124 Cb 0.07 -0.41 -0.04 0.00 -1.18 0.00 0.00 32.58 31.02 3hg0 s HIS 124 CO 0.11 -0.10 0.26 -1.64 -0.65 0.00 0.00 174.74 172.72 3hg0 s MET 125 N -1.85 4.03 -0.08 2.88 1.00 -0.63 -0.43 119.30 124.21 3hg0 s MET 125 Ca -0.08 -0.14 -0.41 0.00 0.00 0.00 0.00 55.69 55.07 3hg0 s MET 125 Cb -0.08 -3.61 -0.19 0.00 0.00 0.00 0.00 34.83 30.94 3hg0 s MET 125 CO -0.00 -0.13 1.23 0.28 0.00 0.00 0.00 175.02 176.39 3hg0 n VAL 126 N 4.80 0.01 0.00 -6.03 0.31 -0.16 -3.52 118.33 113.74 3hg0 n VAL 126 Ca -0.12 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 3hg0 n VAL 126 Cb 0.52 -0.26 0.00 0.00 -0.91 0.00 0.00 33.84 33.18 3hg0 n VAL 126 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hg0 n GLY 127 N 2.20 0.95 0.00 2.92 0.00 -1.26 -4.78 105.19 105.22 3hg0 n GLY 127 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3hg0 n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hg0 n GLY 128 N -2.00 4.41 0.87 -0.02 0.00 -1.23 -5.06 105.19 102.16 3hg0 n GLY 128 Ca 0.00 -1.03 0.07 0.00 0.00 0.00 0.00 46.02 45.06 3hg0 n GLY 128 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3hg0 n TRP 129 N 0.00 0.71 -2.50 1.61 5.03 -1.26 -4.86 117.44 116.17 3hg0 n TRP 129 Ca 0.00 -0.57 -0.42 0.00 3.03 0.00 0.00 57.50 59.54 3hg0 n TRP 129 Cb 0.00 -0.09 -0.03 0.00 -1.03 0.00 0.00 31.31 30.16 3hg0 n TRP 129 CO 0.00 0.00 0.00 -0.80 -0.03 0.00 0.00 177.69 176.86 3hg0 s ASN 130 N -1.13 7.13 0.14 -0.99 0.01 -1.26 -4.99 114.94 113.84 3hg0 s ASN 130 Ca 0.32 1.86 0.08 0.00 -0.71 0.00 0.00 52.86 54.41 3hg0 s ASN 130 Cb 0.19 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 39.24 3hg0 s ASN 130 CO 0.18 -0.47 -0.12 0.00 -1.51 0.00 0.00 177.10 175.18 3hg0 s ALA 131 N 1.49 2.88 0.09 0.60 0.00 -1.26 -1.60 121.76 123.96 3hg0 s ALA 131 Ca 0.56 -1.36 0.02 0.00 0.00 0.00 0.00 51.96 51.18 3hg0 s ALA 131 Cb -0.26 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.09 3hg0 s ALA 131 CO 0.26 0.56 0.08 1.97 0.00 0.00 0.00 175.76 178.63 3hg0 n PHE 132 N 0.46 -0.22 -3.72 0.00 1.16 -0.66 -4.91 117.46 109.57 3hg0 n PHE 132 Ca -0.13 -0.78 -0.14 0.00 -1.87 0.00 0.00 57.45 54.53 3hg0 n PHE 132 Cb 0.54 0.08 -0.09 0.00 -1.61 0.00 0.00 39.48 38.40 3hg0 n PHE 132 CO 0.00 0.00 0.00 -3.38 -1.87 0.00 0.00 176.76 171.51 3hg0 s HIS 133 N -2.37 -0.33 -0.17 2.97 -3.43 -1.26 -1.31 115.29 109.39 3hg0 s HIS 133 Ca 0.11 0.64 -0.01 0.00 -0.80 0.00 0.00 55.06 55.00 3hg0 s HIS 133 Cb 0.01 0.16 -0.01 0.00 -1.43 0.00 0.00 32.58 31.30 3hg0 s HIS 133 CO 0.08 -0.37 -0.10 0.42 -2.00 0.00 0.00 174.74 172.77 3hg0 s ILE 134 N -0.83 3.07 0.08 -5.38 1.01 -0.02 -1.22 121.20 117.90 3hg0 s ILE 134 Ca -0.09 -0.63 -0.25 0.00 0.00 0.00 0.00 60.65 59.68 3hg0 s ILE 134 Cb -0.04 -2.33 -0.06 0.00 0.01 0.00 0.00 42.46 40.04 3hg0 s ILE 134 CO 0.04 0.49 0.78 -1.81 0.00 0.00 0.00 174.94 174.43 3hg0 s ASP 135 N 0.87 7.27 -0.32 3.58 1.11 -0.22 -0.05 116.67 128.91 3hg0 s ASP 135 Ca -0.03 1.52 -0.01 0.00 0.18 0.00 0.00 52.55 54.21 3hg0 s ASP 135 Cb -0.15 -2.48 0.07 0.00 1.07 0.00 0.00 42.92 41.43 3hg0 s ASP 135 CO 0.00 0.07 0.03 -0.51 1.18 0.00 0.00 175.17 175.94 3hg0 s ILE 136 N -0.37 2.88 0.66 0.77 2.07 0.06 -1.93 121.20 125.35 3hg0 s ILE 136 Ca 0.38 -1.64 -0.08 0.00 -1.41 0.00 0.00 60.65 57.90 3hg0 s ILE 136 Cb -0.21 -2.77 0.03 0.00 0.13 0.00 0.00 42.46 39.63 3hg0 s ILE 136 CO 0.24 -0.26 1.00 -2.84 -1.91 0.00 0.00 174.94 171.17 3hg0 s PRO 137 N 1.18 2.68 0.45 3.50 0.02 -1.26 -1.54 135.00 140.03 3hg0 s PRO 137 Ca -0.01 0.07 0.29 0.00 0.02 0.00 0.00 61.00 61.37 3hg0 s PRO 137 Cb -0.20 -2.16 1.36 0.00 0.02 0.00 0.00 34.50 33.52 3hg0 s PRO 137 CO -0.03 -0.97 1.70 0.66 -0.33 0.00 0.00 177.00 178.03 3hg0 h SER 138 N -0.46 0.25 -0.15 2.53 4.64 -1.79 -1.22 113.55 117.36 3hg0 h SER 138 Ca -0.45 0.09 0.03 0.00 -0.47 0.00 0.00 61.79 60.98 3hg0 h SER 138 Cb 1.27 0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 63.40 3hg0 h SER 138 CO 0.62 -0.05 -0.02 0.28 -0.87 0.00 0.00 176.83 176.78 3hg0 h SER 139 N 0.17 -0.10 0.00 4.97 0.02 -1.92 -3.45 113.55 113.24 3hg0 h SER 139 Ca 0.72 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.71 3hg0 h SER 139 Cb 2.27 0.08 0.00 0.00 0.14 0.00 0.00 62.40 64.89 3hg0 h SER 139 CO -0.28 -0.03 0.00 0.61 -1.14 0.00 0.00 176.83 175.98 3hg0 n GLY 140 N -1.16 2.09 3.55 -3.77 0.00 -0.46 -4.84 105.19 100.60 3hg0 n GLY 140 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 3hg0 n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hg0 s VAL 141 N -2.42 3.50 0.85 1.61 1.01 -1.26 -1.12 120.40 122.57 3hg0 s VAL 141 Ca 0.00 0.05 -0.11 0.00 0.00 0.00 0.00 61.98 61.92 3hg0 s VAL 141 Cb 0.00 -4.26 0.10 0.00 0.00 0.00 0.00 36.38 32.23 3hg0 s VAL 141 CO 0.00 -1.21 1.10 0.00 0.00 0.00 0.00 175.10 175.00 3hg0 s GLN 143 N -4.82 0.10 -0.07 0.00 -0.21 -0.81 -0.16 119.66 113.69 3hg0 s GLN 143 Ca 0.63 -0.01 -0.16 0.00 0.02 0.00 0.00 55.36 55.84 3hg0 s GLN 143 Cb -0.19 -0.14 -0.05 0.00 1.00 0.00 0.00 33.01 33.63 3hg0 s GLN 143 CO 0.57 -0.01 0.43 -0.46 -2.12 0.00 0.00 175.29 173.71 3hg0 s TRP 144 N 0.17 3.60 -0.15 0.91 -0.11 -0.38 -1.05 118.94 121.94 3hg0 s TRP 144 Ca -0.01 0.91 0.15 0.00 1.22 0.00 0.00 56.10 58.37 3hg0 s TRP 144 Cb -0.03 -2.43 0.38 0.00 -1.50 0.00 0.00 33.47 29.89 3hg0 s TRP 144 CO -0.00 0.37 1.19 1.19 -4.62 0.00 0.00 176.95 175.08 3hg0 n PHE 145 N 2.88 0.00 -2.49 5.86 3.72 -0.36 -1.66 117.46 125.41 3hg0 n PHE 145 Ca -0.10 -1.15 -0.10 0.00 -0.05 0.00 0.00 57.45 56.05 3hg0 n PHE 145 Cb 0.52 -0.20 0.05 0.00 -0.94 0.00 0.00 39.48 38.91 3hg0 n PHE 145 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hg0 n GLY 146 N -0.79 0.87 3.69 1.37 0.00 -1.26 -4.45 105.19 104.62 3hg0 n GLY 146 Ca 0.15 -2.01 -0.29 0.00 0.00 0.00 0.00 46.02 43.87 3hg0 n GLY 146 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hg0 s PRO 147 N -3.56 0.33 0.11 1.61 0.02 -1.26 -4.20 135.00 128.05 3hg0 s PRO 147 Ca 0.30 0.37 -0.36 0.00 0.02 0.00 0.00 61.00 61.33 3hg0 s PRO 147 Cb -0.02 -1.74 -0.17 0.00 0.02 0.00 0.00 34.50 32.60 3hg0 s PRO 147 CO 0.20 -2.76 1.27 2.41 -0.33 0.00 0.00 177.00 177.78 3hg0 n THR 148 N -4.17 0.26 -3.75 0.99 -1.04 -1.26 -4.46 114.28 100.86 3hg0 n THR 148 Ca 0.06 -0.07 -0.13 0.00 -2.04 0.00 0.00 64.05 61.87 3hg0 n THR 148 Cb 0.58 -0.78 -0.09 0.00 -1.82 0.00 0.00 70.33 68.22 3hg0 n THR 148 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hg0 s ALA 149 N 0.26 -0.85 0.00 2.41 0.00 -0.31 -4.91 121.76 118.36 3hg0 s ALA 149 Ca 0.82 0.57 0.00 0.00 0.00 0.00 0.00 51.96 53.34 3hg0 s ALA 149 Cb -0.94 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.05 3hg0 s ALA 149 CO 0.49 -0.24 0.03 -1.13 0.00 0.00 0.00 175.76 174.91 3hg0 n SER 150 N 1.73 0.06 -3.95 0.00 3.41 -1.26 -0.28 113.62 113.33 3hg0 n SER 150 Ca -0.19 -0.75 -0.08 0.00 -0.26 0.00 0.00 58.87 57.59 3hg0 n SER 150 Cb 0.56 0.02 -0.08 0.00 -0.26 0.00 0.00 64.21 64.45 3hg0 n SER 150 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3hg0 s SER 151 N -0.02 0.25 0.00 4.04 1.04 -1.26 -4.36 113.70 113.39 3hg0 s SER 151 Ca 0.00 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.64 3hg0 s SER 151 Cb 0.00 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.42 3hg0 s SER 151 CO 0.00 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.14 3hg0 n GLY 152 N -0.01 3.96 3.19 7.32 0.00 -1.26 -4.84 105.19 113.55 3hg0 n GLY 152 Ca -0.14 -1.68 -0.37 0.00 0.00 0.00 0.00 46.02 43.83 3hg0 n GLY 152 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hg0 s THR 153 N -2.37 3.42 0.04 2.61 2.01 -1.26 -1.23 115.64 118.87 3hg0 s THR 153 Ca 0.00 -1.52 -0.16 0.00 0.31 0.00 0.00 61.69 60.32 3hg0 s THR 153 Cb 0.00 -3.09 -0.06 0.00 0.01 0.00 0.00 72.50 69.36 3hg0 s THR 153 CO 0.00 -0.35 0.48 -2.16 -0.69 0.00 0.00 174.62 171.90 3hg0 s PRO 154 N 1.28 4.01 0.04 4.92 0.04 -1.26 -0.99 135.00 143.04 3hg0 s PRO 154 Ca 0.01 0.52 -0.04 0.00 0.04 0.00 0.00 61.00 61.53 3hg0 s PRO 154 Cb -0.21 -3.18 -0.02 0.00 0.04 0.00 0.00 34.50 31.13 3hg0 s PRO 154 CO -0.01 0.65 0.05 1.03 0.04 0.00 0.00 177.00 178.76 3hg0 s ARG 155 N -1.23 0.56 0.00 4.56 1.81 0.43 -4.04 118.95 121.05 3hg0 s ARG 155 Ca 0.27 -0.85 0.00 0.00 -1.72 0.00 0.00 55.73 53.43 3hg0 s ARG 155 Cb -0.17 0.21 0.00 0.00 -0.45 0.00 0.00 34.95 34.54 3hg0 s ARG 155 CO 0.16 -0.13 0.00 0.41 -0.68 0.00 0.00 175.30 175.06 3hg0 n GLY 156 N 0.71 2.97 3.24 -3.53 0.00 -1.21 0.33 105.19 107.69 3hg0 n GLY 156 Ca -0.18 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 3hg0 n GLY 156 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hg0 s THR 157 N -0.63 1.71 0.00 2.61 2.01 -1.26 0.35 115.64 120.42 3hg0 s THR 157 Ca 0.00 -0.94 0.00 0.00 0.31 0.00 0.00 61.69 61.06 3hg0 s THR 157 Cb 0.00 -1.42 0.00 0.00 0.01 0.00 0.00 72.50 71.09 3hg0 s THR 157 CO 0.00 0.48 0.00 0.61 -0.69 0.00 0.00 174.62 175.02 3hg0 n GLY 158 N 2.52 0.83 3.17 4.40 0.00 -0.79 -5.02 105.19 110.30 3hg0 n GLY 158 Ca -0.15 -0.45 -0.08 0.00 0.00 0.00 0.00 46.02 45.33 3hg0 n GLY 158 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hg0 s THR 159 N -1.59 0.16 0.05 2.61 -4.23 -1.26 -1.29 115.64 110.09 3hg0 s THR 159 Ca 0.00 -1.35 -0.07 0.00 -1.18 0.00 0.00 61.69 59.10 3hg0 s THR 159 Cb 0.00 -1.37 -0.01 0.00 1.34 0.00 0.00 72.50 72.47 3hg0 s THR 159 CO 0.00 -0.74 0.13 -0.72 -0.54 0.00 0.00 174.62 172.75 3hg0 s TYR 160 N -3.81 0.19 0.33 3.99 -0.85 -0.75 -4.99 117.35 111.46 3hg0 s TYR 160 Ca 0.05 -0.53 -0.12 0.00 -0.52 0.00 0.00 57.07 55.95 3hg0 s TYR 160 Cb 0.05 -0.12 -0.08 0.00 0.38 0.00 0.00 41.96 42.20 3hg0 s TYR 160 CO -0.10 -0.43 0.71 -2.14 -1.52 0.00 0.00 175.55 172.07 3hg0 s PRO 161 N -3.06 3.89 -0.76 -3.49 0.02 -1.26 -1.39 135.00 128.94 3hg0 s PRO 161 Ca -0.01 0.52 -0.15 0.00 0.02 0.00 0.00 61.00 61.38 3hg0 s PRO 161 Cb 0.01 -2.46 0.20 0.00 0.02 0.00 0.00 34.50 32.27 3hg0 s PRO 161 CO -0.07 0.12 0.71 0.42 -0.33 0.00 0.00 177.00 177.86 3hg0 s ILE 162 N -2.08 5.51 0.00 2.83 1.01 -0.75 -4.48 121.20 123.24 3hg0 s ILE 162 Ca 0.52 -2.24 0.00 0.00 0.00 0.00 0.00 60.65 58.93 3hg0 s ILE 162 Cb -0.10 -4.44 0.00 0.00 0.01 0.00 0.00 42.46 37.92 3hg0 s ILE 162 CO 0.23 -1.00 0.00 0.47 0.00 0.00 0.00 174.94 174.64