#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hg0 n ASN 34 N 0.00 3.19 -4.50 1.61 5.15 -1.26 -5.05 115.26 114.40 3hg0 n ASN 34 Ca 0.00 -3.10 -0.25 0.00 -0.60 0.00 0.00 54.58 50.64 3hg0 n ASN 34 Cb 0.00 -0.46 -0.10 0.00 -0.53 0.00 0.00 39.78 38.69 3hg0 n ASN 34 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3hg0 s VAL 35 N -4.30 2.40 -0.16 3.44 -7.23 -1.26 -5.12 120.40 108.17 3hg0 s VAL 35 Ca 0.38 -2.32 -0.08 0.00 -1.81 0.00 0.00 61.98 58.16 3hg0 s VAL 35 Cb 0.40 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.85 3hg0 s VAL 35 CO -0.05 -0.32 0.11 -0.69 -0.31 0.00 0.00 175.10 173.85 3hg0 s VAL 36 N -2.55 5.25 0.40 1.32 1.01 -1.26 -5.09 120.40 119.49 3hg0 s VAL 36 Ca 0.31 0.12 0.08 0.00 0.00 0.00 0.00 61.98 62.49 3hg0 s VAL 36 Cb -0.02 -3.34 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 3hg0 s VAL 36 CO 0.16 0.52 0.21 -1.00 0.00 0.00 0.00 175.10 174.98 3hg0 s HIS 37 N -0.23 2.63 -2.24 5.22 3.76 -1.26 -5.02 115.29 118.15 3hg0 s HIS 37 Ca 0.10 -0.55 0.20 0.00 -0.15 0.00 0.00 55.06 54.66 3hg0 s HIS 37 Cb -0.12 -1.95 0.73 0.00 1.11 0.00 0.00 32.58 32.35 3hg0 s HIS 37 CO 0.01 0.16 1.53 1.63 -0.85 0.00 0.00 174.74 177.21 3hg0 n LYS 38 N -1.28 1.70 -4.18 1.40 5.02 -1.26 -4.76 118.16 114.81 3hg0 n LYS 38 Ca -0.01 -1.05 -0.11 0.00 -2.02 0.00 0.00 58.31 55.13 3hg0 n LYS 38 Cb 0.64 -1.38 -0.10 0.00 -0.02 0.00 0.00 35.03 34.17 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 -1.78 0.44 0.00 -0.18 -4.23 -1.26 -5.14 115.64 103.48 3hg0 s THR 39 Ca 0.31 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 58.90 3hg0 s THR 39 Cb 0.17 -1.92 0.00 0.00 1.34 0.00 0.00 72.50 72.08 3hg0 s THR 39 CO 0.25 -0.63 0.00 0.61 -0.54 0.00 0.00 174.62 174.31 3hg0 n GLY 40 N -0.11 -0.09 3.71 3.99 0.00 -1.26 -4.92 105.19 106.51 3hg0 n GLY 40 Ca -0.08 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.04 6.93 0.03 1.61 1.11 -1.26 -4.97 116.67 119.08 3hg0 s ASP 41 Ca 0.00 2.19 -0.07 0.00 0.18 0.00 0.00 52.55 54.85 3hg0 s ASP 41 Cb 0.00 -2.58 -0.00 0.00 1.07 0.00 0.00 42.92 41.40 3hg0 s ASP 41 CO 0.00 -0.58 0.13 -1.61 1.18 0.00 0.00 175.17 174.29 3hg0 s GLU 42 N 1.14 0.59 -0.08 8.23 2.02 -1.26 -5.14 118.70 124.20 3hg0 s GLU 42 Ca 0.62 -0.65 0.03 0.00 0.02 0.00 0.00 54.97 55.00 3hg0 s GLU 42 Cb -0.34 0.24 -0.02 0.00 0.10 0.00 0.00 34.13 34.12 3hg0 s GLU 42 CO 0.30 -0.15 -0.18 0.99 0.02 0.00 0.00 175.26 176.23 3hg0 s THR 43 N -2.34 2.69 -0.26 3.63 2.01 -1.26 -5.10 115.64 115.00 3hg0 s THR 43 Ca -0.07 -0.83 -0.00 0.00 0.31 0.00 0.00 61.69 61.10 3hg0 s THR 43 Cb -0.02 -2.05 0.08 0.00 0.01 0.00 0.00 72.50 70.51 3hg0 s THR 43 CO -0.03 0.56 0.02 -0.63 -0.69 0.00 0.00 174.62 173.85 3hg0 s ILE 44 N -0.17 1.22 0.70 1.82 1.01 -1.26 -5.09 121.20 119.43 3hg0 s ILE 44 Ca -0.02 -1.28 -0.05 0.00 0.00 0.00 0.00 60.65 59.31 3hg0 s ILE 44 Cb -0.14 -1.71 0.08 0.00 0.01 0.00 0.00 42.46 40.70 3hg0 s ILE 44 CO 0.03 -0.36 1.00 0.00 0.00 0.00 0.00 174.94 175.62 3hg0 s ALA 45 N 1.50 3.27 0.00 9.38 0.00 -1.26 -5.02 121.76 129.63 3hg0 s ALA 45 Ca 0.02 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.86 3hg0 s ALA 45 Cb -0.18 -2.45 0.00 0.00 0.00 0.00 0.00 23.12 20.49 3hg0 s ALA 45 CO -0.13 -1.33 0.00 0.41 0.00 0.00 0.00 175.76 174.72 3hg0 n GLY 46 N -2.89 2.32 3.59 0.00 0.00 -1.26 -4.90 105.19 102.05 3hg0 n GLY 46 Ca 0.09 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.87 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 -3.55 3.68 -0.20 1.61 2.36 -1.26 -5.01 119.74 117.36 3hg0 s LYS 47 Ca 0.00 0.45 -0.07 0.00 -2.55 0.00 0.00 55.97 53.80 3hg0 s LYS 47 Cb 0.00 -3.91 -0.04 0.00 -1.05 0.00 0.00 37.83 32.84 3hg0 s LYS 47 CO 0.00 -1.31 0.06 0.15 1.55 0.00 0.00 175.35 175.80 3hg0 s LYS 48 N 4.19 3.87 -0.22 4.03 -0.14 -1.26 -5.07 119.74 125.13 3hg0 s LYS 48 Ca 0.44 -0.39 -0.03 0.00 -1.36 0.00 0.00 55.97 54.63 3hg0 s LYS 48 Cb -0.08 -3.23 -0.00 0.00 -1.68 0.00 0.00 37.83 32.83 3hg0 s LYS 48 CO 0.29 0.14 -0.06 0.99 -0.76 0.00 0.00 175.35 175.96 3hg0 s THR 49 N 0.72 3.19 -0.38 2.17 2.01 -1.26 -5.08 115.64 117.01 3hg0 s THR 49 Ca 0.03 -0.62 -0.15 0.00 0.31 0.00 0.00 61.69 61.26 3hg0 s THR 49 Cb -0.13 -2.47 0.00 0.00 0.01 0.00 0.00 72.50 69.91 3hg0 s THR 49 CO 0.02 0.39 0.36 -0.36 -0.69 0.00 0.00 174.62 174.34 3hg0 s PHE 50 N 1.44 3.21 -0.70 4.92 0.40 -1.26 -4.91 117.98 121.07 3hg0 s PHE 50 Ca 0.05 -0.26 0.26 0.00 -0.60 0.00 0.00 56.93 56.38 3hg0 s PHE 50 Cb -0.14 -2.69 0.74 0.00 0.51 0.00 0.00 43.02 41.43 3hg0 s PHE 50 CO -0.04 -0.53 1.74 1.79 0.70 0.00 0.00 175.22 178.87 3hg0 h THR 51 N 5.60 0.00 -2.95 0.64 1.35 -2.07 -3.46 112.91 112.03 3hg0 h THR 51 Ca -0.28 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 3hg0 h THR 51 Cb 1.13 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 3hg0 h THR 51 CO 0.72 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.60 3hg0 n GLY 52 N 1.29 2.55 3.86 5.82 0.00 -1.26 -5.10 105.19 112.36 3hg0 n GLY 52 Ca 0.05 -2.03 -0.36 0.00 0.00 0.00 0.00 46.02 43.67 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 -0.78 6.66 -0.09 1.61 0.01 -1.26 -5.08 114.94 116.01 3hg0 s ASN 53 Ca 0.00 0.79 0.03 0.00 -0.71 0.00 0.00 52.86 52.98 3hg0 s ASN 53 Cb 0.00 -2.18 0.00 0.00 0.41 0.00 0.00 41.25 39.48 3hg0 s ASN 53 CO 0.00 0.28 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.98 3hg0 s VAL 54 N -1.20 1.74 -0.01 1.60 1.01 -1.26 -5.13 120.40 117.16 3hg0 s VAL 54 Ca 0.26 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.48 3hg0 s VAL 54 Cb -0.15 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 3hg0 s VAL 54 CO 0.14 0.49 -0.24 -1.61 0.00 0.00 0.00 175.10 173.88 3hg0 s GLU 55 N 0.45 2.10 -0.25 2.72 2.02 -1.26 -5.11 118.70 119.38 3hg0 s GLU 55 Ca -0.17 -0.94 0.01 0.00 0.02 0.00 0.00 54.97 53.89 3hg0 s GLU 55 Cb -0.17 -2.08 0.06 0.00 0.10 0.00 0.00 34.13 32.04 3hg0 s GLU 55 CO 0.07 0.56 -0.05 0.08 0.02 0.00 0.00 175.26 175.94 3hg0 s VAL 56 N -0.68 1.61 -0.27 2.63 1.01 -1.26 -4.99 120.40 118.44 3hg0 s VAL 56 Ca 0.11 -1.34 0.21 0.00 0.00 0.00 0.00 61.98 60.96 3hg0 s VAL 56 Cb -0.10 -1.89 0.08 0.00 0.00 0.00 0.00 36.38 34.47 3hg0 s VAL 56 CO 0.00 -0.15 1.20 0.78 0.00 0.00 0.00 175.10 176.93 3hg0 h ASN 57 N 7.92 0.00 0.00 3.32 2.35 -2.07 -3.45 115.58 123.65 3hg0 h ASN 57 Ca -0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 3hg0 h ASN 57 Cb 1.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.43 3hg0 h ASN 57 CO 0.43 0.13 0.00 0.61 -1.65 0.00 0.00 177.43 176.95 3hg0 n GLY 58 N 1.19 1.43 3.90 2.83 0.00 -1.26 -5.09 105.19 108.20 3hg0 n GLY 58 Ca -0.00 -1.66 -0.28 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.00 6.33 -0.15 1.61 1.04 -1.26 -5.09 113.70 115.19 3hg0 s SER 59 Ca 0.00 0.90 0.01 0.00 0.48 0.00 0.00 55.95 57.34 3hg0 s SER 59 Cb 0.00 -2.23 0.02 0.00 0.10 0.00 0.00 66.02 63.91 3hg0 s SER 59 CO 0.00 -0.48 -0.17 -0.22 0.98 0.00 0.00 173.24 173.35 3hg0 s LEU 60 N -4.42 1.85 -0.18 2.42 2.96 -1.26 -5.07 118.68 114.98 3hg0 s LEU 60 Ca 0.47 -0.53 0.00 0.00 -0.22 0.00 0.00 54.13 53.85 3hg0 s LEU 60 Cb -0.10 -1.27 0.01 0.00 0.50 0.00 0.00 46.19 45.33 3hg0 s LEU 60 CO 0.40 -0.01 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.37 3hg0 s THR 61 N 1.27 2.46 0.34 3.68 2.01 -1.26 -5.11 115.64 119.03 3hg0 s THR 61 Ca 0.02 -0.82 0.09 0.00 0.31 0.00 0.00 61.69 61.29 3hg0 s THR 61 Cb -0.14 -2.05 -0.06 0.00 0.01 0.00 0.00 72.50 70.27 3hg0 s THR 61 CO -0.09 0.51 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.57 3hg0 s LEU 62 N 1.15 2.91 0.38 4.42 1.43 -1.26 -5.11 118.68 122.60 3hg0 s LEU 62 Ca 0.01 -1.04 -0.28 0.00 -1.03 0.00 0.00 54.13 51.79 3hg0 s LEU 62 Cb -0.14 -1.26 -0.10 0.00 0.03 0.00 0.00 46.19 44.72 3hg0 s LEU 62 CO -0.07 -0.22 1.42 -2.84 0.23 0.00 0.00 176.35 174.88 3hg0 s PRO 63 N -3.68 4.11 0.24 1.29 0.02 -1.26 -5.02 135.00 130.70 3hg0 s PRO 63 Ca 0.34 2.44 0.05 0.00 0.02 0.00 0.00 61.00 63.86 3hg0 s PRO 63 Cb 0.00 -2.95 -0.05 0.00 0.02 0.00 0.00 34.50 31.53 3hg0 s PRO 63 CO 0.18 -0.48 -0.06 0.95 -0.33 0.00 0.00 177.00 177.27 3hg0 s THR 64 N -1.14 1.39 -0.15 0.99 -4.23 -1.26 -4.22 115.64 107.01 3hg0 s THR 64 Ca 0.53 -2.10 -0.12 0.00 -1.18 0.00 0.00 61.69 58.82 3hg0 s THR 64 Cb -0.44 -2.28 0.04 0.00 1.34 0.00 0.00 72.50 71.16 3hg0 s THR 64 CO 0.59 -0.40 0.39 -0.75 -0.54 0.00 0.00 174.62 173.91 3hg0 s LYS 65 N -3.77 0.43 0.26 3.99 2.20 -0.95 -4.98 119.74 116.93 3hg0 s LYS 65 Ca 0.27 0.61 0.11 0.00 -0.36 0.00 0.00 55.97 56.59 3hg0 s LYS 65 Cb 0.04 0.15 -0.05 0.00 -1.51 0.00 0.00 37.83 36.45 3hg0 s LYS 65 CO 0.09 -0.09 -0.18 -1.12 -0.36 0.00 0.00 175.35 173.69 3hg0 s SER 66 N 0.55 3.28 -0.13 1.43 0.01 -1.26 0.23 113.70 117.82 3hg0 s SER 66 Ca -0.03 -1.04 -0.30 0.00 1.31 0.00 0.00 55.95 55.90 3hg0 s SER 66 Cb -0.04 -0.25 0.10 0.00 0.21 0.00 0.00 66.02 66.03 3hg0 s SER 66 CO -0.03 -0.04 0.85 0.86 0.41 0.00 0.00 173.24 175.29 3hg0 s TRP 67 N -2.66 -0.53 -0.16 2.43 -0.00 -0.45 -4.99 118.94 112.59 3hg0 s TRP 67 Ca 0.28 0.99 -0.12 0.00 -0.00 0.00 0.00 56.10 57.24 3hg0 s TRP 67 Cb -0.03 0.41 0.05 0.00 -0.00 0.00 0.00 33.47 33.89 3hg0 s TRP 67 CO 0.13 -0.45 0.41 0.45 -0.00 0.00 0.00 176.95 177.49 3hg0 s SER 68 N -0.90 -0.46 0.13 5.86 0.15 -1.26 -0.42 113.70 116.80 3hg0 s SER 68 Ca -0.05 0.84 -0.26 0.00 0.70 0.00 0.00 55.95 57.19 3hg0 s SER 68 Cb -0.01 0.81 0.07 0.00 -1.71 0.00 0.00 66.02 65.18 3hg0 s SER 68 CO 0.04 -0.16 1.00 -0.83 1.20 0.00 0.00 173.24 174.49 3hg0 s GLY 69 N 0.63 -0.25 -0.63 9.45 0.00 -1.02 -5.02 107.32 110.49 3hg0 s GLY 69 Ca -0.03 0.20 -0.27 0.00 0.00 0.00 0.00 44.72 44.62 3hg0 s GLY 69 CO -0.04 0.02 1.17 1.85 0.00 0.00 0.00 173.10 176.10 3hg0 s GLU 70 N -3.19 3.37 0.36 2.90 2.12 -1.26 -1.68 118.70 121.32 3hg0 s GLU 70 Ca 0.12 -0.03 0.07 0.00 0.36 0.00 0.00 54.97 55.50 3hg0 s GLU 70 Cb -0.01 -4.08 0.78 0.00 0.26 0.00 0.00 34.13 31.08 3hg0 s GLU 70 CO 0.01 -1.81 1.93 -0.07 -0.54 0.00 0.00 175.26 174.78 3hg0 h LEU 71 N 12.11 0.65 0.00 2.70 3.38 -1.55 -3.08 115.31 129.53 3hg0 h LEU 71 Ca -0.26 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3hg0 h LEU 71 Cb 1.06 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.69 3hg0 h LEU 71 CO 1.20 0.39 0.00 0.61 0.09 0.00 0.00 178.44 180.73 3hg0 n GLY 72 N -1.45 4.04 2.55 0.83 0.00 -1.24 -1.62 105.19 108.29 3hg0 n GLY 72 Ca 0.13 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.49 0.99 0.92 -0.02 0.00 -1.26 -1.81 105.19 102.53 3hg0 n GLY 73 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.74 0.77 3.63 -0.02 0.00 -1.26 -1.37 105.19 106.21 3hg0 n GLY 74 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.48 4.32 -0.14 -0.61 1.01 -0.75 -1.74 121.20 120.81 3hg0 s ILE 75 Ca 0.00 1.50 -0.10 0.00 0.00 0.00 0.00 60.65 62.05 3hg0 s ILE 75 Cb 0.00 -4.31 -0.05 0.00 0.01 0.00 0.00 42.46 38.11 3hg0 s ILE 75 CO 0.00 -0.52 0.19 -0.63 0.00 0.00 0.00 174.94 173.99 3hg0 s ILE 76 N 4.03 5.39 -0.15 2.92 1.01 -0.34 -1.76 121.20 132.30 3hg0 s ILE 76 Ca 0.50 0.33 -0.01 0.00 0.00 0.00 0.00 60.65 61.48 3hg0 s ILE 76 Cb -0.14 -3.50 -0.01 0.00 0.01 0.00 0.00 42.46 38.82 3hg0 s ILE 76 CO 0.20 0.52 -0.12 -0.22 0.00 0.00 0.00 174.94 175.32 3hg0 s LEU 77 N -0.34 2.72 -0.13 2.97 2.96 -0.68 0.21 118.68 126.39 3hg0 s LEU 77 Ca 0.14 -0.36 0.01 0.00 -0.22 0.00 0.00 54.13 53.70 3hg0 s LEU 77 Cb -0.12 -1.63 -0.01 0.00 0.50 0.00 0.00 46.19 44.93 3hg0 s LEU 77 CO 0.03 0.12 -0.15 -0.44 -1.32 0.00 0.00 176.35 174.59 3hg0 s SER 78 N 0.64 3.85 0.03 3.68 0.01 -0.50 -2.42 113.70 118.98 3hg0 s SER 78 Ca -0.07 -0.37 0.06 0.00 1.31 0.00 0.00 55.95 56.88 3hg0 s SER 78 Cb -0.15 -1.58 -0.02 0.00 0.21 0.00 0.00 66.02 64.48 3hg0 s SER 78 CO 0.03 0.16 -0.18 -0.76 0.41 0.00 0.00 173.24 172.90 3hg0 s LEU 79 N 0.37 2.15 -0.04 2.44 1.43 0.44 -0.58 118.68 124.89 3hg0 s LEU 79 Ca -0.12 -0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 52.50 3hg0 s LEU 79 Cb -0.16 -0.81 0.03 0.00 0.03 0.00 0.00 46.19 45.27 3hg0 s LEU 79 CO 0.06 0.12 0.06 -0.60 0.23 0.00 0.00 176.35 176.22 3hg0 s ARG 80 N -1.03 -0.06 -0.17 1.70 3.52 0.88 -1.34 118.95 122.45 3hg0 s ARG 80 Ca 0.05 0.33 -0.08 0.00 -0.13 0.00 0.00 55.73 55.90 3hg0 s ARG 80 Cb -0.08 -0.40 -0.04 0.00 -1.56 0.00 0.00 34.95 32.86 3hg0 s ARG 80 CO 0.01 -0.27 0.12 0.21 -0.81 0.00 0.00 175.30 174.56 3hg0 s LYS 81 N 1.79 3.86 -0.21 5.12 2.20 0.14 -0.39 119.74 132.25 3hg0 s LYS 81 Ca -0.00 -0.21 -0.04 0.00 -0.36 0.00 0.00 55.97 55.35 3hg0 s LYS 81 Cb -0.12 -3.29 0.07 0.00 -1.51 0.00 0.00 37.83 32.98 3hg0 s LYS 81 CO -0.03 0.48 0.10 0.21 -0.36 0.00 0.00 175.35 175.74 3hg0 s LYS 82 N -0.16 0.15 6.17 4.03 2.20 -0.43 -2.24 119.74 129.46 3hg0 s LYS 82 Ca 0.10 -0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.45 3hg0 s LYS 82 Cb -0.12 -1.63 0.00 0.00 -1.51 0.00 0.00 37.83 34.58 3hg0 s LYS 82 CO 0.00 -0.79 0.00 0.41 -0.36 0.00 0.00 175.35 174.62 3hg0 n GLY 83 N 5.25 1.91 0.86 5.54 0.00 -1.26 -2.47 105.19 115.02 3hg0 n GLY 83 Ca -0.07 -0.49 0.10 0.00 0.00 0.00 0.00 46.02 45.56 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 0.43 -4.34 2.61 -2.24 -1.26 -4.90 114.28 104.59 3hg0 n THR 84 Ca 0.00 -0.57 -0.33 0.00 -2.27 0.00 0.00 64.05 60.88 3hg0 n THR 84 Cb 0.00 0.56 -0.09 0.00 -2.10 0.00 0.00 70.33 68.70 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 -1.57 4.18 -0.13 4.28 2.01 -1.03 -0.25 115.64 123.13 3hg0 s THR 85 Ca 0.35 -0.48 0.03 0.00 0.31 0.00 0.00 61.69 61.89 3hg0 s THR 85 Cb 0.19 -2.82 0.01 0.00 0.01 0.00 0.00 72.50 69.89 3hg0 s THR 85 CO 0.27 0.46 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.76 3hg0 s VAL 86 N -1.00 2.01 -0.10 3.82 1.01 -0.15 -1.31 120.40 124.67 3hg0 s VAL 86 Ca 0.17 -0.95 -0.19 0.00 0.00 0.00 0.00 61.98 61.01 3hg0 s VAL 86 Cb -0.11 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 3hg0 s VAL 86 CO 0.07 0.54 0.52 -1.61 0.00 0.00 0.00 175.10 174.62 3hg0 s GLU 87 N 0.76 4.35 0.19 2.72 2.02 0.48 -1.11 118.70 128.11 3hg0 s GLU 87 Ca -0.09 0.53 0.08 0.00 0.02 0.00 0.00 54.97 55.51 3hg0 s GLU 87 Cb -0.16 -3.43 -0.04 0.00 0.10 0.00 0.00 34.13 30.60 3hg0 s GLU 87 CO -0.00 0.16 -0.15 1.52 0.02 0.00 0.00 175.26 176.81 3hg0 s TYR 88 N 0.58 1.71 -0.11 1.61 1.13 -0.28 -0.08 117.35 121.90 3hg0 s TYR 88 Ca 0.28 -0.54 -0.04 0.00 -1.41 0.00 0.00 57.07 55.35 3hg0 s TYR 88 Cb -0.16 -0.82 0.05 0.00 -1.10 0.00 0.00 41.96 39.94 3hg0 s TYR 88 CO 0.12 0.33 0.22 0.45 -2.51 0.00 0.00 175.55 174.17 3hg0 s SER 89 N -3.07 0.19 0.08 -0.18 0.15 0.25 -2.52 113.70 108.60 3hg0 s SER 89 Ca 0.20 0.49 -0.23 0.00 0.70 0.00 0.00 55.95 57.11 3hg0 s SER 89 Cb -0.02 0.47 -0.07 0.00 -1.71 0.00 0.00 66.02 64.69 3hg0 s SER 89 CO 0.06 -0.21 0.68 -0.63 1.20 0.00 0.00 173.24 174.34 3hg0 s ILE 90 N 1.90 4.65 0.00 6.45 1.01 0.56 -1.42 121.20 134.36 3hg0 s ILE 90 Ca -0.03 1.46 0.00 0.00 0.00 0.00 0.00 60.65 62.08 3hg0 s ILE 90 Cb -0.11 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.33 3hg0 s ILE 90 CO -0.08 0.48 0.00 0.61 0.00 0.00 0.00 174.94 175.95 3hg0 n GLY 91 N 1.95 3.11 1.14 6.18 0.00 0.13 -3.74 105.19 113.96 3hg0 n GLY 91 Ca -0.07 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.63 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 0.00 -1.41 3.61 -0.02 0.00 -1.26 -1.20 105.19 104.91 3hg0 n GLY 92 Ca 0.00 -1.85 -0.01 0.00 0.00 0.00 0.00 46.02 44.16 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 0.54 0.07 1.61 2.56 -0.71 -4.42 118.70 118.34 3hg0 s GLU 93 Ca 0.00 1.31 -0.31 0.00 0.00 0.00 0.00 54.97 55.98 3hg0 s GLU 93 Cb 0.00 0.76 -0.09 0.00 2.00 0.00 0.00 34.13 36.80 3hg0 s GLU 93 CO 0.00 -0.18 1.75 0.42 -0.56 0.00 0.00 175.26 176.69 3hg0 s ILE 94 N 2.74 2.95 0.00 -3.70 1.01 0.47 -4.33 121.20 120.34 3hg0 s ILE 94 Ca -0.06 0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.91 3hg0 s ILE 94 Cb -0.11 -3.20 0.00 0.00 0.01 0.00 0.00 42.46 39.16 3hg0 s ILE 94 CO -0.19 -0.01 0.00 -1.20 0.00 0.00 0.00 174.94 173.55 3hg0 n SER 95 N 6.09 0.01 -3.93 3.58 7.64 -0.47 -4.23 113.62 122.31 3hg0 n SER 95 Ca 0.17 -0.50 -0.09 0.00 1.01 0.00 0.00 58.87 59.46 3hg0 n SER 95 Cb 0.40 0.99 -0.05 0.00 -1.01 0.00 0.00 64.21 64.54 3hg0 n SER 95 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3hg0 s SER 96 N -0.99 -0.04 0.06 6.43 1.04 -1.25 -5.00 113.70 113.95 3hg0 s SER 96 Ca 0.00 -0.95 -0.31 0.00 0.48 0.00 0.00 55.95 55.17 3hg0 s SER 96 Cb 0.00 0.60 -0.07 0.00 0.10 0.00 0.00 66.02 66.66 3hg0 s SER 96 CO 0.00 -1.17 1.38 -0.44 0.98 0.00 0.00 173.24 173.99 3hg0 s SER 97 N -3.03 6.86 -0.18 7.02 0.01 -1.26 -4.41 113.70 118.71 3hg0 s SER 97 Ca 0.22 2.20 -0.00 0.00 1.31 0.00 0.00 55.95 59.69 3hg0 s SER 97 Cb -0.01 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.66 3hg0 s SER 97 CO 0.10 -0.67 -0.16 -0.63 0.41 0.00 0.00 173.24 172.28 3hg0 s ILE 98 N 1.72 2.41 0.50 1.44 1.01 0.63 -4.95 121.20 123.96 3hg0 s ILE 98 Ca 0.64 -0.83 -0.19 0.00 0.00 0.00 0.00 60.65 60.27 3hg0 s ILE 98 Cb -0.34 -2.03 -0.08 0.00 0.01 0.00 0.00 42.46 40.02 3hg0 s ILE 98 CO 0.29 0.51 1.02 -0.76 0.00 0.00 0.00 174.94 175.99 3hg0 s LEU 99 N 1.25 3.75 0.24 2.97 1.43 -1.26 -0.82 118.68 126.24 3hg0 s LEU 99 Ca 0.03 1.79 -0.30 0.00 -1.03 0.00 0.00 54.13 54.62 3hg0 s LEU 99 Cb -0.14 -4.54 -0.14 0.00 0.03 0.00 0.00 46.19 41.40 3hg0 s LEU 99 CO -0.09 -0.75 1.17 0.00 0.23 0.00 0.00 176.35 176.92 3hg0 n ALA 100 N -1.25 0.01 -2.04 4.21 0.00 -1.26 -2.39 120.51 117.78 3hg0 n ALA 100 Ca 0.08 0.42 -0.20 0.00 0.00 0.00 0.00 53.44 53.74 3hg0 n ALA 100 Cb 0.53 -2.10 -0.04 0.00 0.00 0.00 0.00 19.45 17.84 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 1.67 -5.67 -4.93 0.00 3.02 -0.87 -4.91 115.26 103.58 3hg0 n ASN 101 Ca 0.11 0.21 -0.26 0.00 -0.03 0.00 0.00 54.58 54.61 3hg0 n ASN 101 Cb 0.30 -4.81 -0.02 0.00 -0.61 0.00 0.00 39.78 34.63 3hg0 n ASN 101 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3hg0 s SER 102 N -2.38 6.36 0.31 6.41 1.04 -0.89 -4.80 113.70 119.76 3hg0 s SER 102 Ca 0.00 0.48 -0.27 0.00 0.48 0.00 0.00 55.95 56.64 3hg0 s SER 102 Cb 0.00 -2.04 -0.10 0.00 0.10 0.00 0.00 66.02 63.98 3hg0 s SER 102 CO 0.00 -0.17 0.97 0.20 0.98 0.00 0.00 173.24 175.22 3hg0 s ASN 103 N -3.52 7.31 -0.40 7.02 0.01 -1.26 -0.36 114.94 123.74 3hg0 s ASN 103 Ca 0.40 1.92 -0.19 0.00 -0.71 0.00 0.00 52.86 54.28 3hg0 s ASN 103 Cb -0.10 -2.59 0.01 0.00 0.41 0.00 0.00 41.25 38.98 3hg0 s ASN 103 CO 0.32 -0.09 0.52 -0.76 -1.51 0.00 0.00 177.10 175.58 3hg0 s LEU 104 N -1.93 4.58 -0.13 0.60 1.43 0.21 -4.87 118.68 118.56 3hg0 s LEU 104 Ca 0.49 -0.36 0.16 0.00 -1.03 0.00 0.00 54.13 53.38 3hg0 s LEU 104 Cb -0.21 -2.55 0.40 0.00 0.03 0.00 0.00 46.19 43.85 3hg0 s LEU 104 CO 0.27 -0.61 1.29 1.33 0.23 0.00 0.00 176.35 178.86 3hg0 n VAL 105 N 5.56 1.94 -0.14 -1.59 0.24 -1.20 -4.16 118.33 118.98 3hg0 n VAL 105 Ca -0.05 -1.84 -0.11 0.00 -2.04 0.00 0.00 64.34 60.30 3hg0 n VAL 105 Cb 0.48 -0.12 0.01 0.00 -1.47 0.00 0.00 33.84 32.74 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 1.15 0.99 -3.33 -1.34 -0.00 -1.55 -3.46 115.58 108.05 3hg0 h ASN 106 Ca 0.00 -0.39 -0.09 0.00 -0.00 0.00 0.00 56.30 55.82 3hg0 h ASN 106 Cb 1.17 -0.27 -0.25 0.00 -0.00 0.00 0.00 38.32 38.97 3hg0 h ASN 106 CO 0.12 1.18 -0.21 -0.60 -0.00 0.00 0.00 177.43 177.92 3hg0 s ARG 107 N -4.59 0.49 0.38 6.67 6.06 -1.11 -4.95 118.95 121.90 3hg0 s ARG 107 Ca -0.11 0.85 0.00 0.00 -2.50 0.00 0.00 55.73 53.97 3hg0 s ARG 107 Cb 0.12 0.07 -0.02 0.00 0.06 0.00 0.00 34.95 35.18 3hg0 s ARG 107 CO 0.87 -0.14 0.60 -1.12 -2.50 0.00 0.00 175.30 173.01 3hg0 s SER 108 N 1.20 6.15 0.07 -2.12 0.01 -1.26 -4.43 113.70 113.32 3hg0 s SER 108 Ca -0.08 0.41 -0.29 0.00 1.31 0.00 0.00 55.95 57.31 3hg0 s SER 108 Cb -0.07 -1.87 -0.05 0.00 0.21 0.00 0.00 66.02 64.24 3hg0 s SER 108 CO -0.11 -0.43 0.91 -0.69 0.41 0.00 0.00 173.24 173.33 3hg0 s VAL 109 N -2.41 4.65 0.68 3.43 1.01 -0.27 -4.99 120.40 122.51 3hg0 s VAL 109 Ca 0.43 1.95 -0.17 0.00 0.00 0.00 0.00 61.98 64.19 3hg0 s VAL 109 Cb -0.10 -4.27 0.01 0.00 0.00 0.00 0.00 36.38 32.03 3hg0 s VAL 109 CO 0.37 0.29 1.26 -2.84 0.00 0.00 0.00 175.10 174.17 3hg0 s PRO 110 N 0.25 2.36 0.37 2.72 0.02 -1.26 -4.48 135.00 134.98 3hg0 s PRO 110 Ca 0.46 1.94 0.14 0.00 0.02 0.00 0.00 61.00 63.56 3hg0 s PRO 110 Cb -0.22 -1.84 0.97 0.00 0.02 0.00 0.00 34.50 33.44 3hg0 s PRO 110 CO 0.27 -1.71 1.80 -0.91 -0.33 0.00 0.00 177.00 176.12 3hg0 h ASN 111 N 0.18 0.55 0.45 2.53 -0.26 -1.92 -2.15 115.58 114.96 3hg0 h ASN 111 Ca -0.50 0.07 0.00 0.00 -0.56 0.00 0.00 56.30 55.32 3hg0 h ASN 111 Cb 1.32 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 38.56 3hg0 h ASN 111 CO 0.51 0.18 0.00 1.05 -1.06 0.00 0.00 177.43 178.11 3hg0 h GLU 112 N 0.52 0.00 -0.01 0.81 9.09 -1.98 -0.05 114.58 122.97 3hg0 h GLU 112 Ca 0.55 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.96 3hg0 h GLU 112 Cb 1.19 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.29 3hg0 h GLU 112 CO -0.29 0.00 -0.48 1.19 0.05 0.00 0.00 179.01 179.49 3hg0 n PHE 113 N -2.32 0.00 -2.88 2.06 3.72 -0.81 -4.98 117.46 112.24 3hg0 n PHE 113 Ca 0.01 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.00 3hg0 n PHE 113 Cb 0.16 -0.02 -0.05 0.00 -0.94 0.00 0.00 39.48 38.62 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 -0.42 3.37 0.16 0.00 0.04 -1.26 -4.92 135.00 131.96 3hg0 s PRO 115 Ca 0.41 0.46 -0.04 0.00 0.04 0.00 0.00 61.00 61.87 3hg0 s PRO 115 Cb -0.23 -2.17 0.01 0.00 0.04 0.00 0.00 34.50 32.16 3hg0 s PRO 115 CO 0.27 -0.58 1.41 -0.09 0.04 0.00 0.00 177.00 178.05 3hg0 h ARG 116 N -0.22 0.49 -6.41 4.56 9.65 -1.55 -3.21 114.38 117.68 3hg0 h ARG 116 Ca -0.45 -0.40 -0.63 0.00 -1.10 0.00 0.00 59.98 57.40 3hg0 h ARG 116 Cb 1.21 0.08 -0.16 0.00 -1.39 0.00 0.00 29.97 29.72 3hg0 h ARG 116 CO 0.62 1.03 -0.77 -0.80 2.80 0.00 0.00 179.97 182.85 3hg0 s ASN 117 N -7.00 3.67 0.30 -3.80 -0.87 -1.26 -4.63 114.94 101.34 3hg0 s ASN 117 Ca -0.07 -0.88 -0.30 0.00 -1.57 0.00 0.00 52.86 50.05 3hg0 s ASN 117 Cb 0.10 -0.37 -0.11 0.00 -0.02 0.00 0.00 41.25 40.85 3hg0 s ASN 117 CO 0.85 0.08 1.54 -0.13 -2.57 0.00 0.00 177.10 176.88 3hg0 s ARG 118 N -3.08 4.15 -0.13 -0.60 0.52 -1.26 -4.81 118.95 113.74 3hg0 s ARG 118 Ca 0.25 2.52 0.01 0.00 -0.52 0.00 0.00 55.73 58.00 3hg0 s ARG 118 Cb -0.07 -3.03 -0.00 0.00 0.52 0.00 0.00 34.95 32.37 3hg0 s ARG 118 CO 0.13 -0.57 -0.17 0.00 0.02 0.00 0.00 175.30 174.71 3hg0 s SER 120 N 0.58 5.74 -0.36 0.00 0.01 -1.26 -1.66 113.70 116.75 3hg0 s SER 120 Ca -0.10 -1.30 -0.19 0.00 1.31 0.00 0.00 55.95 55.67 3hg0 s SER 120 Cb -0.16 -2.03 0.00 0.00 0.21 0.00 0.00 66.02 64.04 3hg0 s SER 120 CO 0.03 -0.50 0.56 -0.76 0.41 0.00 0.00 173.24 172.98 3hg0 s LEU 121 N 1.50 4.35 -0.09 2.44 1.43 -0.06 -4.84 118.68 123.42 3hg0 s LEU 121 Ca 0.03 -0.02 -0.26 0.00 -1.03 0.00 0.00 54.13 52.84 3hg0 s LEU 121 Cb -0.22 -2.65 -0.03 0.00 0.03 0.00 0.00 46.19 43.33 3hg0 s LEU 121 CO 0.04 -0.54 0.84 -0.69 0.23 0.00 0.00 176.35 176.23 3hg0 s VAL 122 N 2.51 4.93 0.41 -1.59 1.01 -1.26 -0.74 120.40 125.66 3hg0 s VAL 122 Ca 0.20 1.71 0.04 0.00 0.00 0.00 0.00 61.98 63.93 3hg0 s VAL 122 Cb -0.15 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 3hg0 s VAL 122 CO 0.14 0.14 0.05 -0.83 0.00 0.00 0.00 175.10 174.60 3hg0 s GLY 123 N 0.99 2.51 0.02 4.51 0.00 0.20 -4.81 107.32 110.74 3hg0 s GLY 123 Ca 0.42 -1.56 0.01 0.00 0.00 0.00 0.00 44.72 43.59 3hg0 s GLY 123 CO 0.19 -1.98 -0.04 -1.58 0.00 0.00 0.00 173.10 169.69 3hg0 s HIS 124 N -3.04 0.36 -0.02 1.90 5.65 0.02 -1.68 115.29 118.49 3hg0 s HIS 124 Ca 0.26 -0.35 -0.15 0.00 0.25 0.00 0.00 55.06 55.07 3hg0 s HIS 124 Cb 0.06 -0.23 -0.06 0.00 -1.18 0.00 0.00 32.58 31.17 3hg0 s HIS 124 CO 0.13 -0.09 0.42 -1.64 -0.65 0.00 0.00 174.74 172.91 3hg0 s MET 125 N -0.99 4.01 0.33 2.88 1.00 -0.18 -1.05 119.30 125.30 3hg0 s MET 125 Ca -0.08 0.43 -0.29 0.00 0.00 0.00 0.00 55.69 55.75 3hg0 s MET 125 Cb -0.07 -3.26 -0.11 0.00 0.00 0.00 0.00 34.83 31.40 3hg0 s MET 125 CO -0.00 0.60 1.46 0.08 0.00 0.00 0.00 175.02 177.15 3hg0 s VAL 126 N -0.79 2.30 0.00 -6.03 1.01 0.24 -3.71 120.40 113.43 3hg0 s VAL 126 Ca 0.24 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.51 3hg0 s VAL 126 Cb -0.17 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.03 3hg0 s VAL 126 CO 0.13 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.90 3hg0 n GLY 127 N 1.14 0.75 0.00 4.51 0.00 -1.26 -4.77 105.19 105.56 3hg0 n GLY 127 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.21 3.73 0.98 -0.02 0.00 -1.24 -5.04 105.19 101.38 3hg0 n GLY 128 Ca 0.00 -1.09 0.09 0.00 0.00 0.00 0.00 46.02 45.01 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 0.65 -2.24 1.61 5.03 -1.26 -4.91 117.44 116.31 3hg0 n TRP 129 Ca 0.00 -0.44 -0.42 0.00 3.03 0.00 0.00 57.50 59.67 3hg0 n TRP 129 Cb 0.00 -0.01 -0.03 0.00 -1.03 0.00 0.00 31.31 30.24 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 -1.06 6.86 0.16 -0.99 0.01 -1.26 -4.98 114.94 113.68 3hg0 s ASN 130 Ca 0.35 2.05 0.08 0.00 -0.71 0.00 0.00 52.86 54.62 3hg0 s ASN 130 Cb 0.19 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 39.25 3hg0 s ASN 130 CO 0.25 -0.74 -0.04 0.00 -1.51 0.00 0.00 177.10 175.06 3hg0 s ALA 131 N 2.72 3.10 0.32 0.60 0.00 -1.26 -1.01 121.76 126.23 3hg0 s ALA 131 Ca 0.63 -1.36 0.01 0.00 0.00 0.00 0.00 51.96 51.24 3hg0 s ALA 131 Cb -0.30 -0.92 -0.00 0.00 0.00 0.00 0.00 23.12 21.90 3hg0 s ALA 131 CO 0.25 0.51 0.39 1.97 0.00 0.00 0.00 175.76 178.89 3hg0 n PHE 132 N 0.08 -1.18 -3.69 0.00 1.16 -0.68 -4.90 117.46 108.25 3hg0 n PHE 132 Ca -0.11 -2.28 -0.14 0.00 -1.87 0.00 0.00 57.45 53.05 3hg0 n PHE 132 Cb 0.55 0.44 -0.08 0.00 -1.61 0.00 0.00 39.48 38.77 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 -3.12 -0.37 -0.15 2.97 -3.43 -1.26 -0.63 115.29 109.29 3hg0 s HIS 133 Ca 0.30 0.70 0.02 0.00 -0.80 0.00 0.00 55.06 55.28 3hg0 s HIS 133 Cb -0.00 0.19 0.01 0.00 -1.43 0.00 0.00 32.58 31.35 3hg0 s HIS 133 CO 0.21 -0.41 -0.21 0.42 -2.00 0.00 0.00 174.74 172.76 3hg0 s ILE 134 N -0.91 2.13 0.14 -5.38 1.01 0.08 -0.98 121.20 117.29 3hg0 s ILE 134 Ca -0.10 -0.94 -0.21 0.00 0.00 0.00 0.00 60.65 59.40 3hg0 s ILE 134 Cb -0.04 -1.87 -0.07 0.00 0.01 0.00 0.00 42.46 40.49 3hg0 s ILE 134 CO 0.05 0.54 0.67 -1.81 0.00 0.00 0.00 174.94 174.39 3hg0 s ASP 135 N 0.97 7.18 -0.20 3.58 1.11 0.35 -0.88 116.67 128.78 3hg0 s ASP 135 Ca -0.03 1.43 0.01 0.00 0.18 0.00 0.00 52.55 54.14 3hg0 s ASP 135 Cb -0.15 -2.42 0.03 0.00 1.07 0.00 0.00 42.92 41.46 3hg0 s ASP 135 CO -0.05 0.21 -0.16 -0.63 1.18 0.00 0.00 175.17 175.71 3hg0 s ILE 136 N -1.20 2.02 0.52 0.77 1.01 -0.66 -0.73 121.20 122.92 3hg0 s ILE 136 Ca 0.34 -1.11 0.07 0.00 0.00 0.00 0.00 60.65 59.95 3hg0 s ILE 136 Cb -0.20 -1.93 0.07 0.00 0.01 0.00 0.00 42.46 40.40 3hg0 s ILE 136 CO 0.22 0.35 0.56 -0.81 0.00 0.00 0.00 174.94 175.26 3hg0 n PRO 137 N 4.59 0.69 0.24 2.79 -0.04 -1.26 -2.32 135.00 139.68 3hg0 n PRO 137 Ca -0.18 -3.05 0.15 0.00 -0.04 0.00 0.00 63.50 60.38 3hg0 n PRO 137 Cb 0.48 0.06 0.83 0.00 -0.04 0.00 0.00 33.50 34.83 3hg0 n PRO 137 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3hg0 h SER 138 N 0.35 0.00 1.33 3.54 0.02 -1.81 0.97 113.55 117.96 3hg0 h SER 138 Ca -0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 3hg0 h SER 138 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 3hg0 h SER 138 CO 0.43 0.00 -0.27 0.77 -1.14 0.00 0.00 176.83 176.63 3hg0 h SER 139 N 0.00 0.00 0.00 3.07 4.64 -1.94 -3.45 113.55 115.86 3hg0 h SER 139 Ca 0.05 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3hg0 h SER 139 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3hg0 h SER 139 CO -0.00 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 3hg0 n GLY 140 N 1.28 0.83 3.53 -0.77 0.00 0.34 -4.80 105.19 105.59 3hg0 n GLY 140 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.42 4.07 0.56 1.61 1.01 -1.26 -1.12 120.40 121.84 3hg0 s VAL 141 Ca 0.00 0.29 -0.18 0.00 0.00 0.00 0.00 61.98 62.10 3hg0 s VAL 141 Cb 0.00 -4.74 -0.05 0.00 0.00 0.00 0.00 36.38 31.58 3hg0 s VAL 141 CO 0.00 -1.50 1.07 0.00 0.00 0.00 0.00 175.10 174.67 3hg0 s GLN 143 N -3.67 1.66 -0.27 0.00 0.74 0.09 0.63 119.66 118.84 3hg0 s GLN 143 Ca 0.67 -0.35 -0.26 0.00 0.05 0.00 0.00 55.36 55.46 3hg0 s GLN 143 Cb -0.18 -1.52 0.00 0.00 1.10 0.00 0.00 33.01 32.41 3hg0 s GLN 143 CO 0.30 -0.11 0.92 -0.46 -0.55 0.00 0.00 175.29 175.39 3hg0 s TRP 144 N 1.16 3.26 -0.55 1.67 -0.11 0.51 -0.50 118.94 124.38 3hg0 s TRP 144 Ca -0.05 1.15 0.16 0.00 1.22 0.00 0.00 56.10 58.58 3hg0 s TRP 144 Cb -0.14 -3.27 0.73 0.00 -1.50 0.00 0.00 33.47 29.29 3hg0 s TRP 144 CO -0.02 -0.53 1.65 1.19 -4.62 0.00 0.00 176.95 174.61 3hg0 n PHE 145 N 6.30 1.67 -1.59 5.86 3.72 -0.15 -2.04 117.46 131.23 3hg0 n PHE 145 Ca 0.08 -0.71 -0.11 0.00 -0.05 0.00 0.00 57.45 56.66 3hg0 n PHE 145 Cb 0.47 -0.38 0.08 0.00 -0.94 0.00 0.00 39.48 38.71 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 0.61 -0.87 3.90 1.37 0.00 -1.26 -4.64 105.19 104.30 3hg0 n GLY 146 Ca 0.26 -1.75 -0.30 0.00 0.00 0.00 0.00 46.02 44.23 3hg0 n GLY 146 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hg0 s PRO 147 N -4.04 0.18 0.30 1.61 0.04 -1.26 -3.05 135.00 128.78 3hg0 s PRO 147 Ca 0.30 -0.48 -0.30 0.00 0.04 0.00 0.00 61.00 60.56 3hg0 s PRO 147 Cb -0.01 -1.80 -0.11 0.00 0.04 0.00 0.00 34.50 32.62 3hg0 s PRO 147 CO 0.21 -2.72 1.54 0.99 0.04 0.00 0.00 177.00 177.06 3hg0 s THR 148 N -3.86 2.18 0.01 1.26 2.01 -1.26 -4.30 115.64 111.68 3hg0 s THR 148 Ca 0.76 0.16 -0.11 0.00 0.31 0.00 0.00 61.69 62.80 3hg0 s THR 148 Cb -0.03 -3.10 0.01 0.00 0.01 0.00 0.00 72.50 69.39 3hg0 s THR 148 CO 0.54 0.03 0.24 0.00 -0.69 0.00 0.00 174.62 174.74 3hg0 s ALA 149 N -0.25 -0.56 0.00 7.40 0.00 0.00 -4.88 121.76 123.47 3hg0 s ALA 149 Ca 0.60 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.59 3hg0 s ALA 149 Cb -0.46 0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.81 3hg0 s ALA 149 CO 0.50 -0.28 0.38 -1.13 0.00 0.00 0.00 175.76 175.23 3hg0 n SER 150 N 1.11 0.00 -3.65 0.00 3.41 -1.26 -0.27 113.62 112.97 3hg0 n SER 150 Ca -0.21 -1.00 -0.08 0.00 -0.26 0.00 0.00 58.87 57.32 3hg0 n SER 150 Cb 0.57 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.50 3hg0 n SER 150 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3hg0 s SER 151 N 0.00 -0.35 0.00 4.04 0.15 -1.26 -4.34 113.70 111.93 3hg0 s SER 151 Ca 0.00 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.37 3hg0 s SER 151 Cb 0.00 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 3hg0 s SER 151 CO 0.00 -1.02 0.00 0.61 1.20 0.00 0.00 173.24 174.03 3hg0 n GLY 152 N -0.40 1.95 3.01 9.45 0.00 -1.26 -4.71 105.19 113.24 3hg0 n GLY 152 Ca -0.09 -2.08 -0.31 0.00 0.00 0.00 0.00 46.02 43.54 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 -2.00 2.12 0.10 2.61 2.01 -1.26 -0.39 115.64 118.82 3hg0 s THR 153 Ca 0.00 -2.01 -0.21 0.00 0.31 0.00 0.00 61.69 59.78 3hg0 s THR 153 Cb 0.00 -2.45 -0.07 0.00 0.01 0.00 0.00 72.50 69.99 3hg0 s THR 153 CO 0.00 -0.40 0.64 -2.16 -0.69 0.00 0.00 174.62 172.00 3hg0 s PRO 154 N 1.03 4.32 0.08 4.92 0.04 -1.26 -0.59 135.00 143.55 3hg0 s PRO 154 Ca 0.04 0.87 -0.06 0.00 0.04 0.00 0.00 61.00 61.89 3hg0 s PRO 154 Cb -0.19 -3.25 -0.01 0.00 0.04 0.00 0.00 34.50 31.09 3hg0 s PRO 154 CO -0.08 0.61 0.13 1.03 0.04 0.00 0.00 177.00 178.74 3hg0 s ARG 155 N -1.10 0.80 0.00 4.56 1.81 -0.21 -4.01 118.95 120.81 3hg0 s ARG 155 Ca 0.31 -1.05 0.00 0.00 -1.72 0.00 0.00 55.73 53.27 3hg0 s ARG 155 Cb -0.21 0.31 0.00 0.00 -0.45 0.00 0.00 34.95 34.60 3hg0 s ARG 155 CO 0.21 -0.23 0.00 0.41 -0.68 0.00 0.00 175.30 175.01 3hg0 n GLY 156 N -0.03 3.13 3.22 -3.53 0.00 -1.25 -0.80 105.19 105.94 3hg0 n GLY 156 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 1.95 0.00 2.61 2.01 -1.26 -0.32 115.64 120.63 3hg0 s THR 157 Ca 0.00 -0.98 0.00 0.00 0.31 0.00 0.00 61.69 61.02 3hg0 s THR 157 Cb 0.00 -1.67 0.00 0.00 0.01 0.00 0.00 72.50 70.84 3hg0 s THR 157 CO 0.00 0.54 0.00 0.61 -0.69 0.00 0.00 174.62 175.08 3hg0 n GLY 158 N 3.24 1.81 3.16 4.40 0.00 -1.05 -5.03 105.19 111.72 3hg0 n GLY 158 Ca -0.18 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.28 0.21 0.02 2.61 -4.23 -1.26 -1.13 115.64 109.57 3hg0 s THR 159 Ca 0.00 -1.91 -0.06 0.00 -1.18 0.00 0.00 61.69 58.54 3hg0 s THR 159 Cb 0.00 -1.99 -0.00 0.00 1.34 0.00 0.00 72.50 71.85 3hg0 s THR 159 CO 0.00 -0.54 0.11 -0.72 -0.54 0.00 0.00 174.62 172.94 3hg0 s TYR 160 N -3.97 0.10 0.55 3.99 -0.85 -0.26 -4.97 117.35 111.94 3hg0 s TYR 160 Ca 0.22 -0.28 -0.03 0.00 -0.52 0.00 0.00 57.07 56.47 3hg0 s TYR 160 Cb 0.07 -0.09 0.01 0.00 0.38 0.00 0.00 41.96 42.34 3hg0 s TYR 160 CO 0.01 -0.31 0.81 -1.25 -1.52 0.00 0.00 175.55 173.29 3hg0 s PRO 161 N -1.77 2.84 -0.13 -3.49 0.05 -1.26 -0.98 135.00 130.25 3hg0 s PRO 161 Ca -0.12 -0.32 0.15 0.00 0.05 0.00 0.00 61.00 60.76 3hg0 s PRO 161 Cb -0.06 -2.40 -0.24 0.00 0.05 0.00 0.00 34.50 31.86 3hg0 s PRO 161 CO -0.00 -0.61 0.32 1.51 0.05 0.00 0.00 177.00 178.27 3hg0 n ILE 162 N -2.40 1.49 -2.47 0.56 0.13 0.65 -4.64 119.36 112.68 3hg0 n ILE 162 Ca 0.04 -0.82 -0.04 0.00 -1.10 0.00 0.00 62.75 60.83 3hg0 n ILE 162 Cb 0.58 -0.75 0.05 0.00 -0.84 0.00 0.00 39.64 38.68 3hg0 n ILE 162 CO 0.00 0.00 0.00 -0.90 2.80 0.00 0.00 176.55 178.45 3hg0 n ASP 163 N -2.90 2.22 -4.46 9.51 5.75 -1.26 -1.42 116.55 123.99 3hg0 n ASP 163 Ca -0.26 -2.58 -0.43 0.00 -0.01 0.00 0.00 54.79 51.50 3hg0 n ASP 163 Cb 1.11 -0.42 -0.05 0.00 -1.03 0.00 0.00 41.12 40.73 3hg0 n ASP 163 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3hg0 s HIS 164 N -2.95 2.88 -0.23 2.11 2.46 -1.26 -4.99 115.29 113.30 3hg0 s HIS 164 Ca 0.35 -0.46 -0.29 0.00 0.47 0.00 0.00 55.06 55.13 3hg0 s HIS 164 Cb 0.36 -3.94 -0.02 0.00 -0.13 0.00 0.00 32.58 28.84 3hg0 s HIS 164 CO -0.05 -1.31 1.53 -1.01 -2.47 0.00 0.00 174.74 171.43 3hg0 s HIS 165 N 3.36 2.26 0.37 3.88 3.76 -1.26 -4.49 115.29 123.17 3hg0 s HIS 165 Ca 0.21 0.62 0.36 0.00 -0.15 0.00 0.00 55.06 56.10 3hg0 s HIS 165 Cb -0.17 -3.95 1.77 0.00 1.11 0.00 0.00 32.58 31.33 3hg0 s HIS 165 CO 0.13 -2.64 2.14 0.45 -0.85 0.00 0.00 174.74 173.96 3hg0 h HIS 166 N 10.28 0.00 -5.62 1.40 3.86 -1.97 -3.48 115.15 119.62 3hg0 h HIS 166 Ca -0.32 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.61 3hg0 h HIS 166 Cb 1.14 0.00 0.17 0.00 1.06 0.00 0.00 27.41 29.78 3hg0 h HIS 166 CO 0.90 0.03 -0.85 0.72 0.86 0.00 0.00 177.93 179.59 3hg0 n HIS 167 N -3.21 -2.36 0.00 2.45 8.25 -1.26 -4.96 115.22 114.14 3hg0 n HIS 167 Ca -0.01 0.78 0.00 0.00 -0.26 0.00 0.00 57.72 58.22 3hg0 n HIS 167 Cb 0.21 -3.97 0.00 0.00 1.12 0.00 0.00 29.99 27.35 3hg0 n HIS 167 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 3hg0 n HIS 168 N -3.40 0.00 1.06 4.41 -0.00 -1.26 -5.35 115.22 110.69 3hg0 n HIS 168 Ca -0.07 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.77 3hg0 n HIS 168 Cb 0.61 0.00 0.15 0.00 -0.00 0.00 0.00 29.99 30.75 3hg0 n HIS 168 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06