#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h2q s THR 2 N 0.00 4.36 0.10 0.00 2.01 -0.33 -4.91 115.64 116.88 3h2q s THR 2 Ca 0.00 1.65 0.07 0.00 0.31 0.00 0.00 61.69 63.72 3h2q s THR 2 Cb 0.00 -4.05 -0.03 0.00 0.01 0.00 0.00 72.50 68.43 3h2q s THR 2 CO 0.00 0.34 -0.18 -0.54 -0.69 0.00 0.00 174.62 173.56 3h2q s LYS 3 N -1.60 1.04 0.17 4.92 1.02 -1.26 -1.30 119.74 122.73 3h2q s LYS 3 Ca 0.42 -1.14 -0.05 0.00 0.02 0.00 0.00 55.97 55.22 3h2q s LYS 3 Cb -0.20 -1.15 -0.03 0.00 -0.52 0.00 0.00 37.83 35.92 3h2q s LYS 3 CO 0.25 0.26 0.19 0.00 -0.92 0.00 0.00 175.35 175.12 3h2q s ALA 4 N -1.43 0.60 0.03 5.17 0.00 -0.55 -1.27 121.76 124.30 3h2q s ALA 4 Ca 0.05 -1.32 -0.17 0.00 0.00 0.00 0.00 51.96 50.53 3h2q s ALA 4 Cb -0.09 1.05 0.03 0.00 0.00 0.00 0.00 23.12 24.11 3h2q s ALA 4 CO 0.04 -0.61 0.38 0.54 0.00 0.00 0.00 175.76 176.11 3h2q s VAL 5 N -4.06 0.06 -0.09 0.00 0.11 -0.13 -0.63 120.40 115.66 3h2q s VAL 5 Ca 0.27 -0.49 -0.05 0.00 -2.93 0.00 0.00 61.98 58.78 3h2q s VAL 5 Cb 0.05 -0.88 0.04 0.00 -1.53 0.00 0.00 36.38 34.06 3h2q s VAL 5 CO 0.05 -0.27 0.22 0.00 -3.33 0.00 0.00 175.10 171.77 3h2q s VAL 7 N 1.05 4.77 -0.06 0.00 1.01 -1.26 -1.12 120.40 124.79 3h2q s VAL 7 Ca -0.08 -0.35 -0.23 0.00 0.00 0.00 0.00 61.98 61.32 3h2q s VAL 7 Cb -0.09 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 3h2q s VAL 7 CO -0.06 0.06 0.69 -0.76 0.00 0.00 0.00 175.10 175.03 3h2q s LEU 8 N 1.64 4.33 0.04 3.92 1.43 0.23 -4.04 118.68 126.23 3h2q s LEU 8 Ca 0.05 1.19 -0.03 0.00 -1.03 0.00 0.00 54.13 54.30 3h2q s LEU 8 Cb -0.17 -3.06 -0.02 0.00 0.03 0.00 0.00 46.19 42.97 3h2q s LEU 8 CO 0.07 -0.08 0.04 -0.54 0.23 0.00 0.00 176.35 176.07 3h2q s LYS 9 N 0.66 0.54 0.00 1.70 1.02 -0.69 -2.49 119.74 120.47 3h2q s LYS 9 Ca 0.37 -0.83 0.00 0.00 0.02 0.00 0.00 55.97 55.52 3h2q s LYS 9 Cb -0.18 0.20 0.00 0.00 -0.52 0.00 0.00 37.83 37.33 3h2q s LYS 9 CO 0.18 -0.12 0.00 0.41 -0.92 0.00 0.00 175.35 174.90 3h2q n GLY 10 N 0.77 3.36 0.11 -3.33 0.00 -1.23 -1.04 105.19 103.84 3h2q n GLY 10 Ca -0.19 -1.25 0.13 0.00 0.00 0.00 0.00 46.02 44.71 3h2q n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3h2q h ASP 11 N 0.00 0.00 -0.51 1.61 3.32 -1.92 -3.46 116.42 115.46 3h2q h ASP 11 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3h2q h ASP 11 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3h2q h ASP 11 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 3h2q n GLY 12 N 1.27 3.38 0.31 2.75 0.00 -1.26 -5.02 105.19 106.61 3h2q n GLY 12 Ca 0.05 -1.92 0.14 0.00 0.00 0.00 0.00 46.02 44.29 3h2q n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3h2q n PRO 13 N 0.00 1.42 -2.43 1.61 -0.04 -1.26 -4.90 135.00 129.40 3h2q n PRO 13 Ca 0.00 -0.62 -0.42 0.00 -0.04 0.00 0.00 63.50 62.42 3h2q n PRO 13 Cb 0.00 -1.46 -0.03 0.00 -0.04 0.00 0.00 33.50 31.98 3h2q n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3h2q s VAL 14 N -1.97 4.23 0.04 0.52 1.01 -1.26 -4.27 120.40 118.70 3h2q s VAL 14 Ca 0.39 1.54 -0.21 0.00 0.00 0.00 0.00 61.98 63.69 3h2q s VAL 14 Cb 0.20 -3.99 0.05 0.00 0.00 0.00 0.00 36.38 32.64 3h2q s VAL 14 CO 0.32 -0.05 0.49 0.00 0.00 0.00 0.00 175.10 175.86 3h2q s GLN 15 N 2.67 0.98 0.00 2.72 -2.07 -0.79 -3.52 119.66 119.65 3h2q s GLN 15 Ca 0.56 -0.23 0.00 0.00 -1.82 0.00 0.00 55.36 53.87 3h2q s GLN 15 Cb -0.24 0.45 0.00 0.00 -1.09 0.00 0.00 33.01 32.13 3h2q s GLN 15 CO 0.20 -0.34 0.00 0.41 -1.32 0.00 0.00 175.29 174.23 3h2q n GLY 16 N 0.52 -0.34 3.01 2.60 0.00 -1.04 -0.68 105.19 109.26 3h2q n GLY 16 Ca -0.19 -0.93 -0.26 0.00 0.00 0.00 0.00 46.02 44.65 3h2q n GLY 16 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h2q s ILE 17 N -2.00 1.22 -0.12 -0.61 1.01 -1.07 -0.60 121.20 119.02 3h2q s ILE 17 Ca 0.00 -0.49 0.03 0.00 0.00 0.00 0.00 60.65 60.19 3h2q s ILE 17 Cb 0.00 -1.13 0.01 0.00 0.01 0.00 0.00 42.46 41.35 3h2q s ILE 17 CO 0.00 0.38 -0.22 -0.63 0.00 0.00 0.00 174.94 174.48 3h2q s ILE 18 N 0.91 1.94 0.03 2.92 -1.09 -0.28 -2.67 121.20 122.96 3h2q s ILE 18 Ca -0.10 -0.93 0.00 0.00 -2.23 0.00 0.00 60.65 57.40 3h2q s ILE 18 Cb -0.15 -1.71 -0.04 0.00 -1.58 0.00 0.00 42.46 38.98 3h2q s ILE 18 CO 0.01 0.53 0.12 0.20 -1.23 0.00 0.00 174.94 174.56 3h2q s ASN 19 N 0.62 5.85 0.00 3.58 0.01 0.44 -0.74 114.94 124.71 3h2q s ASN 19 Ca -0.12 0.15 0.06 0.00 -0.71 0.00 0.00 52.86 52.24 3h2q s ASN 19 Cb -0.17 -1.70 -0.02 0.00 0.41 0.00 0.00 41.25 39.78 3h2q s ASN 19 CO 0.03 0.23 -0.18 -0.36 -1.51 0.00 0.00 177.10 175.30 3h2q s PHE 20 N -1.32 1.63 -0.07 2.20 0.08 0.20 -1.59 117.98 119.11 3h2q s PHE 20 Ca 0.27 -0.32 -0.04 0.00 0.12 0.00 0.00 56.93 56.96 3h2q s PHE 20 Cb -0.12 -1.03 0.03 0.00 -0.57 0.00 0.00 43.02 41.33 3h2q s PHE 20 CO 0.19 -0.00 0.16 -2.00 -0.10 0.00 0.00 175.22 173.47 3h2q s GLU 21 N -0.61 0.13 -0.24 0.44 2.12 -0.22 -1.48 118.70 118.83 3h2q s GLU 21 Ca 0.07 0.35 -0.02 0.00 0.36 0.00 0.00 54.97 55.73 3h2q s GLU 21 Cb -0.07 -0.09 0.08 0.00 0.26 0.00 0.00 34.13 34.30 3h2q s GLU 21 CO -0.00 -0.12 0.05 -1.14 -0.54 0.00 0.00 175.26 173.50 3h2q s GLN 22 N 0.87 0.78 0.19 4.30 0.74 -0.42 -0.53 119.66 125.58 3h2q s GLN 22 Ca -0.06 -0.72 -0.01 0.00 0.05 0.00 0.00 55.36 54.61 3h2q s GLN 22 Cb -0.08 -2.10 0.09 0.00 1.10 0.00 0.00 33.01 32.02 3h2q s GLN 22 CO -0.05 -0.77 1.46 0.87 -0.55 0.00 0.00 175.29 176.26 3h2q h LYS 23 N 8.16 0.43 -6.32 1.67 1.57 -1.82 -0.88 116.57 119.38 3h2q h LYS 23 Ca -0.16 -0.32 -0.69 0.00 -1.87 0.00 0.00 60.65 57.61 3h2q h LYS 23 Cb 1.07 0.06 -0.24 0.00 0.08 0.00 0.00 32.23 33.20 3h2q h LYS 23 CO 0.40 0.95 -0.79 -1.21 -0.57 0.00 0.00 179.45 178.23 3h2q s GLU 24 N -3.73 2.49 0.39 3.15 2.02 -1.26 -3.70 118.70 118.07 3h2q s GLU 24 Ca -0.06 -0.73 0.20 0.00 0.02 0.00 0.00 54.97 54.40 3h2q s GLU 24 Cb 0.11 -2.34 1.14 0.00 0.10 0.00 0.00 34.13 33.14 3h2q s GLU 24 CO 0.84 0.60 1.73 1.03 0.02 0.00 0.00 175.26 179.47 3h2q h SER 25 N 5.42 0.43 0.03 -0.19 0.87 -1.99 0.13 113.55 118.25 3h2q h SER 25 Ca -0.45 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 3h2q h SER 25 Cb 1.15 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 3h2q h SER 25 CO 0.50 0.02 -1.82 0.59 -0.53 0.00 0.00 176.83 175.59 3h2q n ASN 26 N -4.70 0.17 -3.19 6.23 3.02 -1.26 -4.81 115.26 110.72 3h2q n ASN 26 Ca 0.28 -0.13 -0.19 0.00 -0.03 0.00 0.00 54.58 54.50 3h2q n ASN 26 Cb 0.98 1.80 0.16 0.00 -0.61 0.00 0.00 39.78 42.11 3h2q n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h2q n GLY 27 N 1.29 -2.48 3.75 7.41 0.00 0.43 -5.00 105.19 110.60 3h2q n GLY 27 Ca -0.03 -1.51 -0.38 0.00 0.00 0.00 0.00 46.02 44.10 3h2q n GLY 27 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3h2q s PRO 28 N -4.65 3.08 -0.22 1.61 0.02 -1.26 -4.87 135.00 128.71 3h2q s PRO 28 Ca 0.46 2.20 -0.05 0.00 0.02 0.00 0.00 61.00 63.64 3h2q s PRO 28 Cb -0.04 -2.20 -0.02 0.00 0.02 0.00 0.00 34.50 32.26 3h2q s PRO 28 CO 0.35 -1.23 -0.01 0.08 -0.33 0.00 0.00 177.00 175.86 3h2q s VAL 29 N -1.32 3.69 0.06 3.83 1.01 0.44 -4.40 120.40 123.71 3h2q s VAL 29 Ca 0.73 -0.39 -0.25 0.00 0.00 0.00 0.00 61.98 62.07 3h2q s VAL 29 Cb -0.40 -2.68 -0.06 0.00 0.00 0.00 0.00 36.38 33.24 3h2q s VAL 29 CO 0.46 0.41 0.77 -0.54 0.00 0.00 0.00 175.10 176.20 3h2q s LYS 30 N 1.36 4.51 -0.15 2.72 1.02 0.31 -1.32 119.74 128.18 3h2q s LYS 30 Ca 0.04 1.09 0.00 0.00 0.02 0.00 0.00 55.97 57.12 3h2q s LYS 30 Cb -0.14 -3.35 0.03 0.00 -0.52 0.00 0.00 37.83 33.84 3h2q s LYS 30 CO -0.00 0.32 -0.11 0.08 -0.92 0.00 0.00 175.35 174.72 3h2q s VAL 31 N -0.20 1.42 0.06 3.17 1.01 0.88 -1.06 120.40 125.68 3h2q s VAL 31 Ca 0.38 -0.64 -0.14 0.00 0.00 0.00 0.00 61.98 61.58 3h2q s VAL 31 Cb -0.21 -1.42 0.02 0.00 0.00 0.00 0.00 36.38 34.78 3h2q s VAL 31 CO 0.24 0.34 0.32 -1.66 0.00 0.00 0.00 175.10 174.34 3h2q s TRP 32 N 1.53 -0.12 -5.00 5.22 -2.14 -0.62 -0.32 118.94 117.49 3h2q s TRP 32 Ca 0.03 -0.05 0.00 0.00 2.66 0.00 0.00 56.10 58.74 3h2q s TRP 32 Cb -0.14 0.12 0.00 0.00 -3.10 0.00 0.00 33.47 30.35 3h2q s TRP 32 CO -0.09 -0.54 0.00 0.41 -2.66 0.00 0.00 176.95 174.07 3h2q n GLY 33 N 0.44 -0.28 3.18 3.67 0.00 -0.31 -0.42 105.19 111.46 3h2q n GLY 33 Ca -0.18 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 44.63 3h2q n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3h2q s SER 34 N -4.00 -0.22 -0.06 1.61 0.15 -1.09 -0.44 113.70 109.64 3h2q s SER 34 Ca 0.00 0.34 0.03 0.00 0.70 0.00 0.00 55.95 57.02 3h2q s SER 34 Cb 0.00 0.46 0.01 0.00 -1.71 0.00 0.00 66.02 64.77 3h2q s SER 34 CO 0.00 -0.22 -0.15 -0.63 1.20 0.00 0.00 173.24 173.44 3h2q s ILE 35 N -0.43 1.35 0.41 6.45 1.01 -0.00 -2.61 121.20 127.37 3h2q s ILE 35 Ca -0.05 -0.62 0.05 0.00 0.00 0.00 0.00 60.65 60.02 3h2q s ILE 35 Cb -0.04 -1.19 -0.06 0.00 0.01 0.00 0.00 42.46 41.18 3h2q s ILE 35 CO 0.02 0.40 0.02 -1.59 0.00 0.00 0.00 174.94 173.79 3h2q s LYS 36 N 0.43 1.93 0.00 2.79 -2.85 0.14 0.04 119.74 122.22 3h2q s LYS 36 Ca -0.12 -2.12 0.00 0.00 -1.00 0.00 0.00 55.97 52.73 3h2q s LYS 36 Cb -0.15 -1.41 0.00 0.00 -2.06 0.00 0.00 37.83 34.22 3h2q s LYS 36 CO 0.04 -0.15 0.00 0.41 0.10 0.00 0.00 175.35 175.75 3h2q n GLY 37 N -0.96 0.53 3.92 0.59 0.00 -1.04 -1.88 105.19 106.36 3h2q n GLY 37 Ca -0.07 -0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.54 3h2q n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h2q s LEU 38 N 0.00 3.82 0.29 0.99 1.43 -0.68 -4.15 118.68 120.38 3h2q s LEU 38 Ca 0.00 0.69 -0.28 0.00 -1.03 0.00 0.00 54.13 53.52 3h2q s LEU 38 Cb 0.00 -3.60 -0.09 0.00 0.03 0.00 0.00 46.19 42.52 3h2q s LEU 38 CO 0.00 -0.44 0.95 0.42 0.23 0.00 0.00 176.35 177.52 3h2q s THR 39 N -2.53 4.10 0.18 5.49 -4.23 -1.26 -4.06 115.64 113.33 3h2q s THR 39 Ca 0.44 1.90 -0.32 0.00 -1.18 0.00 0.00 61.69 62.52 3h2q s THR 39 Cb -0.10 -4.12 -0.16 0.00 1.34 0.00 0.00 72.50 69.46 3h2q s THR 39 CO 0.41 0.29 1.09 1.21 -0.54 0.00 0.00 174.62 177.08 3h2q n GLU 40 N 0.94 1.05 0.00 3.99 2.13 -1.26 -4.67 120.64 122.82 3h2q n GLU 40 Ca 0.00 0.37 0.00 0.00 0.66 0.00 0.00 57.16 58.19 3h2q n GLU 40 Cb 0.49 -1.82 0.00 0.00 0.27 0.00 0.00 31.44 30.38 3h2q n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3h2q n GLY 41 N 1.89 -0.18 3.77 8.31 0.00 -0.27 -4.93 105.19 113.78 3h2q n GLY 41 Ca 0.15 -2.23 -0.39 0.00 0.00 0.00 0.00 46.02 43.55 3h2q n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h2q s LEU 42 N 0.00 4.55 -0.05 0.99 1.43 -1.26 -1.42 118.68 122.92 3h2q s LEU 42 Ca 0.00 1.56 0.00 0.00 -1.03 0.00 0.00 54.13 54.67 3h2q s LEU 42 Cb 0.00 -3.25 0.02 0.00 0.03 0.00 0.00 46.19 43.00 3h2q s LEU 42 CO 0.00 0.16 -0.03 -1.00 0.23 0.00 0.00 176.35 175.72 3h2q s HIS 43 N -0.85 0.69 0.44 0.29 3.76 -0.65 -2.80 115.29 116.17 3h2q s HIS 43 Ca 0.36 -0.18 -0.25 0.00 -0.15 0.00 0.00 55.06 54.84 3h2q s HIS 43 Cb -0.22 -0.69 -0.09 0.00 1.11 0.00 0.00 32.58 32.69 3h2q s HIS 43 CO 0.25 -0.23 1.24 0.41 -0.85 0.00 0.00 174.74 175.56 3h2q n GLY 44 N 4.41 0.46 2.71 -2.22 0.00 -0.31 -1.25 105.19 108.99 3h2q n GLY 44 Ca -0.19 0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 3h2q n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3h2q s PHE 45 N -1.23 0.90 0.01 1.61 5.36 -0.08 -0.52 117.98 124.04 3h2q s PHE 45 Ca 0.63 -0.81 -0.00 0.00 -0.96 0.00 0.00 56.93 55.79 3h2q s PHE 45 Cb -0.50 -1.00 -0.01 0.00 -0.34 0.00 0.00 43.02 41.17 3h2q s PHE 45 CO 0.57 -0.61 -0.02 -1.01 -1.46 0.00 0.00 175.22 172.69 3h2q s HIS 46 N 1.90 0.14 -0.11 10.12 3.76 -0.84 -1.48 115.29 128.78 3h2q s HIS 46 Ca 0.00 -0.28 -0.22 0.00 -0.15 0.00 0.00 55.06 54.41 3h2q s HIS 46 Cb -0.17 -0.10 -0.03 0.00 1.11 0.00 0.00 32.58 33.39 3h2q s HIS 46 CO -0.09 -0.10 0.64 0.08 -0.85 0.00 0.00 174.74 174.41 3h2q s VAL 47 N -0.78 5.07 0.25 -0.90 1.01 0.81 -0.67 120.40 125.20 3h2q s VAL 47 Ca -0.09 1.28 0.06 0.00 0.00 0.00 0.00 61.98 63.24 3h2q s VAL 47 Cb -0.05 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 3h2q s VAL 47 CO -0.01 0.23 0.26 -1.00 0.00 0.00 0.00 175.10 174.58 3h2q s HIS 48 N 1.07 3.23 0.13 5.22 3.76 0.16 -0.58 115.29 128.28 3h2q s HIS 48 Ca 0.33 -0.08 -0.16 0.00 -0.15 0.00 0.00 55.06 55.00 3h2q s HIS 48 Cb -0.17 -1.47 -0.00 0.00 1.11 0.00 0.00 32.58 32.05 3h2q s HIS 48 CO 0.14 0.48 1.70 1.49 -0.85 0.00 0.00 174.74 177.70 3h2q h GLU 49 N 1.37 0.58 -5.96 1.40 4.81 -0.63 -2.79 114.58 113.36 3h2q h GLU 49 Ca -0.50 -0.10 -0.68 0.00 -0.13 0.00 0.00 59.36 57.96 3h2q h GLU 49 Cb 1.24 -0.10 -0.15 0.00 0.63 0.00 0.00 28.75 30.37 3h2q h GLU 49 CO 0.61 0.53 -0.62 -0.06 -0.73 0.00 0.00 179.01 178.74 3h2q s PHE 50 N -5.63 3.17 -0.40 0.92 0.08 -0.54 -4.65 117.98 110.93 3h2q s PHE 50 Ca -0.13 0.20 -0.05 0.00 0.12 0.00 0.00 56.93 57.07 3h2q s PHE 50 Cb 0.10 -1.79 -0.02 0.00 -0.57 0.00 0.00 43.02 40.74 3h2q s PHE 50 CO 0.75 0.47 2.97 0.41 -0.10 0.00 0.00 175.22 179.72 3h2q n GLY 51 N 2.15 4.06 3.16 4.36 0.00 -1.07 -3.58 105.19 114.26 3h2q n GLY 51 Ca -0.19 -1.72 -0.34 0.00 0.00 0.00 0.00 46.02 43.77 3h2q n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3h2q s ASP 52 N 0.79 4.15 -0.13 1.61 -1.08 -1.26 -4.94 116.67 115.82 3h2q s ASP 52 Ca 0.61 -0.94 0.16 0.00 -0.52 0.00 0.00 52.55 51.86 3h2q s ASP 52 Cb 0.36 -1.61 0.34 0.00 -1.46 0.00 0.00 42.92 40.54 3h2q s ASP 52 CO -0.16 -0.12 1.23 -3.20 0.52 0.00 0.00 175.17 173.44 3h2q n ASN 53 N 4.62 2.84 -0.13 -0.34 5.15 -1.26 -2.54 115.26 123.59 3h2q n ASN 53 Ca -0.17 -2.91 0.14 0.00 -0.60 0.00 0.00 54.58 51.04 3h2q n ASN 53 Cb 0.46 -0.42 0.50 0.00 -0.53 0.00 0.00 39.78 39.80 3h2q n ASN 53 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 3h2q h THR 54 N 0.68 0.84 -0.85 -0.44 1.35 -1.93 -2.05 112.91 110.51 3h2q h THR 54 Ca 0.00 -0.14 -0.54 0.00 -0.55 0.00 0.00 66.41 65.18 3h2q h THR 54 Cb 1.08 0.38 -0.43 0.00 -1.73 0.00 0.00 68.15 67.46 3h2q h THR 54 CO 0.07 0.08 -0.83 0.00 -0.25 0.00 0.00 175.52 174.59 3h2q n ALA 55 N -2.52 4.88 -0.31 6.62 0.00 -1.26 -5.07 120.51 122.85 3h2q n ALA 55 Ca 0.13 -3.81 0.00 0.00 0.00 0.00 0.00 53.44 49.76 3h2q n ALA 55 Cb 0.46 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.53 3h2q n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h2q n GLY 56 N -0.66 -0.09 0.22 0.00 0.00 -0.77 -3.75 105.19 100.14 3h2q n GLY 56 Ca 0.41 -0.99 0.10 0.00 0.00 0.00 0.00 46.02 45.54 3h2q n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2q h THR 58 N 0.00 1.02 0.00 0.00 2.02 -1.91 -2.35 112.91 111.69 3h2q h THR 58 Ca -0.00 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.91 3h2q h THR 58 Cb 0.75 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 3h2q h THR 58 CO 0.03 0.14 0.00 -1.54 0.37 0.00 0.00 175.52 174.52 3h2q n SER 59 N -4.48 0.00 0.16 4.18 3.41 -1.16 -2.59 113.62 113.13 3h2q n SER 59 Ca 0.11 -0.01 0.13 0.00 -0.26 0.00 0.00 58.87 58.83 3h2q n SER 59 Cb 0.23 -0.30 0.57 0.00 -0.26 0.00 0.00 64.21 64.45 3h2q n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h2q h ALA 60 N 3.07 1.00 -0.32 7.33 0.00 -1.13 -3.40 119.26 125.81 3h2q h ALA 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h2q h ALA 60 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3h2q h ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3h2q n GLY 61 N -0.41 -0.38 3.92 0.00 0.00 -1.07 -1.47 105.19 105.78 3h2q n GLY 61 Ca 0.01 -1.07 -0.29 0.00 0.00 0.00 0.00 46.02 44.67 3h2q n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h2q s PRO 62 N 0.00 1.43 0.31 1.61 0.04 -1.26 -4.65 135.00 132.48 3h2q s PRO 62 Ca 0.00 -0.22 -0.29 0.00 0.04 0.00 0.00 61.00 60.53 3h2q s PRO 62 Cb 0.00 -1.96 -0.13 0.00 0.04 0.00 0.00 34.50 32.46 3h2q s PRO 62 CO 0.00 -1.88 1.35 0.72 0.04 0.00 0.00 177.00 177.22 3h2q n HIS 63 N -3.43 2.30 -2.07 0.56 8.25 -1.26 -0.41 115.22 119.17 3h2q n HIS 63 Ca 0.11 0.50 -0.42 0.00 -0.26 0.00 0.00 57.72 57.65 3h2q n HIS 63 Cb 0.60 -2.44 -0.03 0.00 1.12 0.00 0.00 29.99 29.24 3h2q n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 3h2q s PHE 64 N -0.74 2.13 -0.51 4.41 5.36 0.25 -4.50 117.98 124.38 3h2q s PHE 64 Ca 0.59 0.32 0.06 0.00 -0.96 0.00 0.00 56.93 56.95 3h2q s PHE 64 Cb -0.58 -3.86 0.19 0.00 -0.34 0.00 0.00 43.02 38.43 3h2q s PHE 64 CO 0.58 -3.53 0.75 1.21 -1.46 0.00 0.00 175.22 172.77 3h2q s ASN 65 N 3.09 -1.38 0.00 6.13 2.47 -1.26 -0.46 114.94 123.53 3h2q s ASN 65 Ca 0.71 -1.64 0.22 0.00 0.42 0.00 0.00 52.86 52.56 3h2q s ASN 65 Cb -0.32 1.80 1.16 0.00 -1.45 0.00 0.00 41.25 42.44 3h2q s ASN 65 CO 0.28 -0.05 1.70 -2.65 -3.72 0.00 0.00 177.10 172.66 3h2q n PRO 66 N 2.93 0.41 -3.49 0.43 -0.02 -1.26 -4.96 135.00 129.03 3h2q n PRO 66 Ca 0.18 0.06 -0.37 0.00 -2.02 0.00 0.00 63.50 61.35 3h2q n PRO 66 Cb 0.57 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.47 3h2q n PRO 66 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3h2q s ARG 80 N -2.42 4.20 0.10 -0.52 3.52 -1.26 -5.23 118.95 117.34 3h2q s ARG 80 Ca 0.24 0.09 -0.26 0.00 -0.13 0.00 0.00 55.73 55.67 3h2q s ARG 80 Cb 0.15 -3.48 -0.11 0.00 -1.56 0.00 0.00 34.95 29.95 3h2q s ARG 80 CO 0.31 0.10 1.67 0.28 -0.81 0.00 0.00 175.30 176.85 3h2q h VAL 81 N 4.87 0.58 0.00 7.11 2.07 -1.93 -2.43 116.25 126.52 3h2q h VAL 81 Ca -0.39 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.13 3h2q h VAL 81 Cb 1.16 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 3h2q h VAL 81 CO 0.73 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.93 3h2q n GLY 82 N -1.31 -0.84 3.58 2.17 0.00 0.39 -4.39 105.19 104.79 3h2q n GLY 82 Ca -0.07 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 3h2q n GLY 82 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3h2q s ASP 83 N -1.91 6.56 -0.19 1.61 2.15 -0.92 -0.13 116.67 123.83 3h2q s ASP 83 Ca 0.36 0.28 0.15 0.00 0.43 0.00 0.00 52.55 53.77 3h2q s ASP 83 Cb 0.16 -2.51 0.71 0.00 -0.30 0.00 0.00 42.92 40.98 3h2q s ASP 83 CO 0.28 -1.20 1.63 0.18 -0.17 0.00 0.00 175.17 175.88 3h2q n LEU 84 N 7.65 5.00 0.00 -1.34 4.77 -0.55 -4.96 117.00 127.56 3h2q n LEU 84 Ca 0.09 -2.86 0.00 0.00 -0.03 0.00 0.00 56.01 53.22 3h2q n LEU 84 Cb 0.49 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 3h2q n LEU 84 CO 0.69 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 178.03 3h2q n GLY 85 N 0.38 0.14 3.52 -0.72 0.00 -1.23 -4.82 105.19 102.45 3h2q n GLY 85 Ca 0.25 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 3h2q n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3h2q s ASN 86 N -4.00 4.10 0.23 1.61 0.01 -1.26 -0.90 114.94 114.72 3h2q s ASN 86 Ca 0.00 -0.43 0.05 0.00 -0.71 0.00 0.00 52.86 51.77 3h2q s ASN 86 Cb 0.00 -0.71 -0.03 0.00 0.41 0.00 0.00 41.25 40.92 3h2q s ASN 86 CO 0.00 0.21 0.34 0.68 -1.51 0.00 0.00 177.10 176.82 3h2q s VAL 87 N -1.09 5.21 -0.21 1.60 -7.23 -0.38 -4.90 120.40 113.40 3h2q s VAL 87 Ca 0.18 -0.97 -0.00 0.00 -1.81 0.00 0.00 61.98 59.37 3h2q s VAL 87 Cb -0.11 -3.81 0.02 0.00 0.56 0.00 0.00 36.38 33.04 3h2q s VAL 87 CO 0.10 -0.29 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.58 3h2q s THR 88 N -1.95 2.54 -0.02 5.32 2.01 -1.26 -1.64 115.64 120.63 3h2q s THR 88 Ca 0.34 -0.95 -0.18 0.00 0.31 0.00 0.00 61.69 61.21 3h2q s THR 88 Cb -0.09 -2.19 -0.05 0.00 0.01 0.00 0.00 72.50 70.17 3h2q s THR 88 CO 0.29 0.37 0.50 0.00 -0.69 0.00 0.00 174.62 175.08 3h2q s ALA 89 N 1.32 3.57 1.02 7.40 0.00 -0.51 -4.12 121.76 130.43 3h2q s ALA 89 Ca 0.02 -0.11 -0.08 0.00 0.00 0.00 0.00 51.96 51.80 3h2q s ALA 89 Cb -0.15 -2.59 0.10 0.00 0.00 0.00 0.00 23.12 20.49 3h2q s ALA 89 CO -0.08 0.26 0.57 -0.40 0.00 0.00 0.00 175.76 176.11 3h2q n ASP 90 N 2.53 -0.18 0.32 0.00 5.68 0.02 -1.12 116.55 123.79 3h2q n ASP 90 Ca -0.10 -1.15 0.21 0.00 -0.50 0.00 0.00 54.79 53.25 3h2q n ASP 90 Cb 0.51 -0.45 1.13 0.00 -1.14 0.00 0.00 41.12 41.18 3h2q n ASP 90 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 3h2q h LYS 91 N 0.00 0.00 -0.33 0.11 3.64 -1.98 -0.67 116.57 117.35 3h2q h LYS 91 Ca -0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 3h2q h LYS 91 Cb 0.53 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3h2q h LYS 91 CO 0.13 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 177.06 3h2q n ASP 92 N -2.96 3.31 0.00 4.20 8.00 -1.26 -4.87 116.55 122.97 3h2q n ASP 92 Ca -0.03 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.49 3h2q n ASP 92 Cb 0.08 -0.21 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 3h2q n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h2q n GLY 93 N 1.47 0.54 3.55 0.44 0.00 -0.26 -4.74 105.19 106.20 3h2q n GLY 93 Ca 0.19 -0.47 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 3h2q n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h2q s VAL 94 N -2.00 4.64 -0.35 1.61 1.01 -1.26 -1.68 120.40 122.37 3h2q s VAL 94 Ca 0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 61.98 61.82 3h2q s VAL 94 Cb 0.00 -3.14 0.03 0.00 0.00 0.00 0.00 36.38 33.27 3h2q s VAL 94 CO 0.00 0.39 0.15 0.00 0.00 0.00 0.00 175.10 175.63 3h2q s ALA 95 N 1.03 3.16 -0.22 5.51 0.00 0.11 -0.80 121.76 130.54 3h2q s ALA 95 Ca 0.04 -1.68 -0.23 0.00 0.00 0.00 0.00 51.96 50.10 3h2q s ALA 95 Cb -0.14 -2.40 -0.02 0.00 0.00 0.00 0.00 23.12 20.57 3h2q s ALA 95 CO 0.03 -1.29 0.72 0.34 0.00 0.00 0.00 175.76 175.57 3h2q s ASP 96 N 1.49 6.75 -0.14 0.00 2.15 -1.26 -0.82 116.67 124.84 3h2q s ASP 96 Ca 0.01 0.92 -0.05 0.00 0.43 0.00 0.00 52.55 53.86 3h2q s ASP 96 Cb -0.19 -2.39 -0.04 0.00 -0.30 0.00 0.00 42.92 40.01 3h2q s ASP 96 CO 0.05 -0.39 0.03 -0.69 -0.17 0.00 0.00 175.17 173.99 3h2q s VAL 97 N 2.36 4.49 -0.42 1.11 1.01 0.42 -4.82 120.40 124.55 3h2q s VAL 97 Ca 0.32 -0.15 0.08 0.00 0.00 0.00 0.00 61.98 62.22 3h2q s VAL 97 Cb -0.16 -2.97 0.18 0.00 0.00 0.00 0.00 36.38 33.43 3h2q s VAL 97 CO 0.09 0.52 0.62 -0.55 0.00 0.00 0.00 175.10 175.79 3h2q s SER 98 N -0.11 -1.32 0.23 3.32 0.15 -1.24 -1.16 113.70 113.56 3h2q s SER 98 Ca 0.05 -0.96 0.01 0.00 0.70 0.00 0.00 55.95 55.76 3h2q s SER 98 Cb -0.12 1.85 -0.05 0.00 -1.71 0.00 0.00 66.02 65.99 3h2q s SER 98 CO 0.02 -0.16 0.06 0.27 1.20 0.00 0.00 173.24 174.63 3h2q s ILE 99 N 1.70 0.59 -0.07 6.45 -4.36 0.56 -4.99 121.20 121.07 3h2q s ILE 99 Ca 0.18 -1.99 0.01 0.00 -0.26 0.00 0.00 60.65 58.59 3h2q s ILE 99 Cb -0.04 -2.46 0.02 0.00 1.25 0.00 0.00 42.46 41.23 3h2q s ILE 99 CO -0.07 -0.16 -0.10 -0.70 0.24 0.00 0.00 174.94 174.15 3h2q s GLU 100 N -3.99 1.51 -0.04 0.37 2.12 -1.26 -0.09 118.70 117.31 3h2q s GLU 100 Ca 0.33 -0.32 0.03 0.00 0.36 0.00 0.00 54.97 55.37 3h2q s GLU 100 Cb 0.07 -1.35 0.01 0.00 0.26 0.00 0.00 34.13 33.11 3h2q s GLU 100 CO 0.10 -0.06 -0.12 0.34 -0.54 0.00 0.00 175.26 174.98 3h2q s ASP 101 N 0.96 1.65 0.00 -1.70 -1.08 -0.43 -4.96 116.67 111.11 3h2q s ASP 101 Ca -0.09 -0.27 0.17 0.00 -0.52 0.00 0.00 52.55 51.84 3h2q s ASP 101 Cb -0.15 -0.58 0.25 0.00 -1.46 0.00 0.00 42.92 40.98 3h2q s ASP 101 CO 0.00 0.07 1.16 -1.54 0.52 0.00 0.00 175.17 175.39 3h2q n SER 102 N 3.47 2.78 -0.11 -0.34 3.41 -1.26 -0.42 113.62 121.14 3h2q n SER 102 Ca -0.20 -1.82 -0.25 0.00 -0.26 0.00 0.00 58.87 56.34 3h2q n SER 102 Cb 0.53 -0.11 -0.11 0.00 -0.26 0.00 0.00 64.21 64.25 3h2q n SER 102 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3h2q n VAL 103 N 1.03 1.55 -1.07 -3.33 0.31 -1.26 -4.86 118.33 110.70 3h2q n VAL 103 Ca 0.13 -0.27 -0.31 0.00 -0.01 0.00 0.00 64.34 63.88 3h2q n VAL 103 Cb 0.47 -1.90 0.12 0.00 -0.91 0.00 0.00 33.84 31.62 3h2q n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 3h2q s ILE 104 N -2.45 2.85 0.17 2.52 -4.36 -1.26 -4.86 121.20 113.80 3h2q s ILE 104 Ca -0.33 0.28 -0.09 0.00 -0.26 0.00 0.00 60.65 60.25 3h2q s ILE 104 Cb 0.10 -2.62 -0.01 0.00 1.25 0.00 0.00 42.46 41.18 3h2q s ILE 104 CO 0.57 -0.36 0.28 -0.55 0.24 0.00 0.00 174.94 175.12 3h2q s SER 105 N -3.17 0.05 -0.15 4.36 0.15 -0.83 -4.62 113.70 109.49 3h2q s SER 105 Ca 0.63 -0.89 0.16 0.00 0.70 0.00 0.00 55.95 56.55 3h2q s SER 105 Cb -0.19 0.44 0.68 0.00 -1.71 0.00 0.00 66.02 65.24 3h2q s SER 105 CO 0.57 -0.90 1.60 0.18 1.20 0.00 0.00 173.24 175.89 3h2q n LEU 106 N -0.22 4.73 -3.69 3.45 4.77 -1.26 -1.66 117.00 123.12 3h2q n LEU 106 Ca -0.07 -2.65 -0.09 0.00 -0.03 0.00 0.00 56.01 53.18 3h2q n LEU 106 Cb 0.63 -0.57 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 3h2q n LEU 106 CO 0.24 0.73 0.46 -0.94 -1.33 0.00 0.00 177.39 176.56 3h2q s SER 107 N -1.08 -0.37 0.49 -1.43 1.04 -1.26 -4.84 113.70 106.24 3h2q s SER 107 Ca 0.48 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.55 3h2q s SER 107 Cb 0.34 0.67 0.00 0.00 0.10 0.00 0.00 66.02 67.13 3h2q s SER 107 CO 0.19 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 173.84 3h2q n GLY 108 N -0.43 -0.22 0.24 7.32 0.00 -1.26 -3.38 105.19 107.46 3h2q n GLY 108 Ca -0.09 -1.05 0.06 0.00 0.00 0.00 0.00 46.02 44.95 3h2q n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3h2q h ASP 109 N 1.06 0.00 -0.55 1.61 5.19 -2.01 -2.12 116.42 119.60 3h2q h ASP 109 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3h2q h ASP 109 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3h2q h ASP 109 CO 0.00 0.13 0.00 1.41 -3.12 0.00 0.00 179.24 177.66 3h2q n HIS 110 N -4.33 1.84 -1.73 4.55 8.25 -1.26 -4.95 115.22 117.59 3h2q n HIS 110 Ca -0.03 -0.73 -0.42 0.00 -0.26 0.00 0.00 57.72 56.29 3h2q n HIS 110 Cb 0.20 -0.44 -0.03 0.00 1.12 0.00 0.00 29.99 30.84 3h2q n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3h2q n ILE 112 N 4.13 0.00 -2.06 0.00 -5.35 -0.67 -4.90 119.36 110.51 3h2q n ILE 112 Ca 0.16 -0.47 -0.42 0.00 -0.27 0.00 0.00 62.75 61.75 3h2q n ILE 112 Cb 0.36 1.36 -0.03 0.00 -1.74 0.00 0.00 39.64 39.59 3h2q n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3h2q s ILE 113 N -1.62 2.89 0.00 7.28 1.01 -1.26 -1.14 121.20 128.35 3h2q s ILE 113 Ca 0.21 0.69 0.00 0.00 0.00 0.00 0.00 60.65 61.55 3h2q s ILE 113 Cb 0.15 -3.44 0.00 0.00 0.01 0.00 0.00 42.46 39.18 3h2q s ILE 113 CO 0.26 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.90 3h2q n GLY 114 N 2.88 0.71 2.20 6.18 0.00 0.12 -5.00 105.19 112.27 3h2q n GLY 114 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 3h2q n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h2q n ARG 115 N -2.56 0.84 -4.77 1.61 1.74 -0.29 -2.61 116.66 110.63 3h2q n ARG 115 Ca 0.00 -1.82 -0.33 0.00 -0.77 0.00 0.00 57.85 54.93 3h2q n ARG 115 Cb 0.00 -0.04 -0.14 0.00 -1.02 0.00 0.00 32.46 31.26 3h2q n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3h2q s THR 116 N -1.17 3.15 -0.12 0.55 2.01 -1.05 -0.53 115.64 118.47 3h2q s THR 116 Ca 0.30 -0.64 -0.13 0.00 0.31 0.00 0.00 61.69 61.52 3h2q s THR 116 Cb -0.02 -2.31 -0.05 0.00 0.01 0.00 0.00 72.50 70.13 3h2q s THR 116 CO 0.19 0.54 0.30 -0.22 -0.69 0.00 0.00 174.62 174.74 3h2q s LEU 117 N 0.07 4.31 -0.02 4.42 2.96 -0.46 0.37 118.68 130.33 3h2q s LEU 117 Ca -0.05 0.60 0.03 0.00 -0.22 0.00 0.00 54.13 54.50 3h2q s LEU 117 Cb -0.14 -2.38 -0.00 0.00 0.50 0.00 0.00 46.19 44.16 3h2q s LEU 117 CO 0.04 0.19 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.46 3h2q s VAL 118 N -0.05 0.91 -0.15 1.68 1.01 0.16 -1.93 120.40 122.03 3h2q s VAL 118 Ca 0.18 -0.46 -0.03 0.00 0.00 0.00 0.00 61.98 61.66 3h2q s VAL 118 Cb -0.14 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 3h2q s VAL 118 CO 0.06 0.27 -0.05 0.54 0.00 0.00 0.00 175.10 175.91 3h2q s VAL 119 N -0.08 3.77 0.26 2.92 0.11 -0.62 -1.98 120.40 124.79 3h2q s VAL 119 Ca 0.01 -0.40 0.04 0.00 -2.93 0.00 0.00 61.98 58.70 3h2q s VAL 119 Cb -0.06 -2.64 -0.03 0.00 -1.53 0.00 0.00 36.38 32.11 3h2q s VAL 119 CO 0.00 0.50 0.40 -1.00 -3.33 0.00 0.00 175.10 171.67 3h2q s HIS 120 N 0.30 3.46 0.17 1.54 3.76 0.32 -1.45 115.29 123.40 3h2q s HIS 120 Ca -0.05 0.07 -0.12 0.00 -0.15 0.00 0.00 55.06 54.81 3h2q s HIS 120 Cb -0.14 -1.64 0.07 0.00 1.11 0.00 0.00 32.58 31.97 3h2q s HIS 120 CO 0.03 0.37 1.71 1.49 -0.85 0.00 0.00 174.74 177.50 3h2q h GLU 121 N 1.10 0.88 -5.98 1.40 4.81 -1.12 -3.34 114.58 112.31 3h2q h GLU 121 Ca -0.51 -0.17 -0.58 0.00 -0.13 0.00 0.00 59.36 57.96 3h2q h GLU 121 Cb 1.23 -0.14 -0.10 0.00 0.63 0.00 0.00 28.75 30.37 3h2q h GLU 121 CO 0.61 0.77 -0.59 0.15 -0.73 0.00 0.00 179.01 179.22 3h2q s LYS 122 N -5.50 2.11 0.69 1.92 1.02 -1.26 -4.60 119.74 114.13 3h2q s LYS 122 Ca -0.13 -1.77 -0.16 0.00 0.02 0.00 0.00 55.97 53.93 3h2q s LYS 122 Cb 0.13 -1.94 0.02 0.00 -0.52 0.00 0.00 37.83 35.52 3h2q s LYS 122 CO 0.80 0.09 1.22 0.00 -0.92 0.00 0.00 175.35 176.53 3h2q s ALA 123 N -2.53 2.24 -0.76 5.17 0.00 -1.12 -1.16 121.76 123.59 3h2q s ALA 123 Ca 0.36 0.95 -0.15 0.00 0.00 0.00 0.00 51.96 53.11 3h2q s ALA 123 Cb 0.01 -3.48 0.18 0.00 0.00 0.00 0.00 23.12 19.84 3h2q s ALA 123 CO 0.20 -1.70 0.74 0.34 0.00 0.00 0.00 175.76 175.34 3h2q s ASP 124 N -1.87 6.59 0.00 0.00 -1.08 -1.26 -4.69 116.67 114.36 3h2q s ASP 124 Ca 0.76 -2.35 0.00 0.00 -0.52 0.00 0.00 52.55 50.44 3h2q s ASP 124 Cb -0.30 -2.24 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 3h2q s ASP 124 CO 0.42 -0.72 0.00 0.61 0.52 0.00 0.00 175.17 176.00 3h2q n GLY 141 N 4.48 2.38 3.42 2.66 0.00 -1.25 -5.03 105.19 111.84 3h2q n GLY 141 Ca 0.07 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 3h2q n GLY 141 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h2q n SER 142 N 0.00 -1.93 -4.48 1.61 3.41 -1.26 -4.38 113.62 106.59 3h2q n SER 142 Ca 0.00 0.41 -0.43 0.00 -0.26 0.00 0.00 58.87 58.58 3h2q n SER 142 Cb 0.00 -1.20 -0.06 0.00 -0.26 0.00 0.00 64.21 62.69 3h2q n SER 142 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3h2q s ARG 143 N -3.31 3.21 0.10 4.33 0.52 -1.26 -0.72 118.95 121.82 3h2q s ARG 143 Ca 0.59 -0.61 -0.13 0.00 -0.52 0.00 0.00 55.73 55.06 3h2q s ARG 143 Cb -0.25 -4.03 -0.16 0.00 0.52 0.00 0.00 34.95 31.02 3h2q s ARG 143 CO 0.65 -1.17 1.29 -0.07 0.02 0.00 0.00 175.30 176.02 3h2q h LEU 144 N 9.87 0.94 -7.07 2.53 3.38 -1.56 -3.47 115.31 119.94 3h2q h LEU 144 Ca -0.26 -0.64 -0.03 0.00 0.09 0.00 0.00 57.88 57.03 3h2q h LEU 144 Cb 1.09 -0.28 -0.14 0.00 0.09 0.00 0.00 40.66 41.43 3h2q h LEU 144 CO 0.95 1.43 0.16 0.00 0.09 0.00 0.00 178.44 181.06 3h2q s ALA 145 N -3.71 -1.52 0.23 1.53 0.00 -1.20 -4.06 121.76 113.03 3h2q s ALA 145 Ca -0.10 0.56 -0.22 0.00 0.00 0.00 0.00 51.96 52.19 3h2q s ALA 145 Cb 0.08 0.69 0.04 0.00 0.00 0.00 0.00 23.12 23.93 3h2q s ALA 145 CO 0.90 -0.67 0.78 0.00 0.00 0.00 0.00 175.76 176.77 3h2q s GLY 147 N -2.90 -0.53 0.21 0.00 0.00 -0.81 -1.71 107.32 101.59 3h2q s GLY 147 Ca 0.10 0.71 -0.30 0.00 0.00 0.00 0.00 44.72 45.24 3h2q s GLY 147 CO 0.04 0.23 0.93 0.14 0.00 0.00 0.00 173.10 174.45 3h2q s VAL 148 N -3.45 4.16 -0.24 1.40 1.01 -1.26 -1.35 120.40 120.67 3h2q s VAL 148 Ca 0.03 2.06 -0.24 0.00 0.00 0.00 0.00 61.98 63.84 3h2q s VAL 148 Cb -0.01 -4.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.04 3h2q s VAL 148 CO -0.10 0.47 0.81 -0.63 0.00 0.00 0.00 175.10 175.65 3h2q s ILE 149 N -0.98 4.85 0.21 2.22 1.01 0.31 -4.54 121.20 124.28 3h2q s ILE 149 Ca 0.42 1.53 0.09 0.00 0.00 0.00 0.00 60.65 62.70 3h2q s ILE 149 Cb -0.25 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.07 3h2q s ILE 149 CO 0.31 -0.06 -0.09 -0.83 0.00 0.00 0.00 174.94 174.27 3h2q s GLY 150 N 1.34 1.72 0.18 6.18 0.00 -0.15 0.11 107.32 116.71 3h2q s GLY 150 Ca 0.34 -1.56 -0.31 0.00 0.00 0.00 0.00 44.72 43.19 3h2q s GLY 150 CO 0.08 -1.60 1.45 -0.42 0.00 0.00 0.00 173.10 172.61 3h2q s ILE 151 N -1.92 2.86 0.20 0.90 1.01 -1.26 -0.96 121.20 122.03 3h2q s ILE 151 Ca 0.27 0.66 0.10 0.00 0.00 0.00 0.00 60.65 61.67 3h2q s ILE 151 Cb -0.08 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 3h2q s ILE 151 CO 0.16 0.07 -0.12 0.00 0.00 0.00 0.00 174.94 175.05 3h2q s ALA 152 N 0.64 2.86 -2.00 9.38 0.00 -0.40 -4.79 121.76 127.46 3h2q s ALA 152 Ca 0.64 -1.56 0.31 0.00 0.00 0.00 0.00 51.96 51.35 3h2q s ALA 152 Cb -0.41 -0.62 1.85 0.00 0.00 0.00 0.00 23.12 23.95 3h2q s ALA 152 CO 0.36 0.42 2.18 0.94 0.00 0.00 0.00 175.76 179.66