#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 4.14 0.01 0.00 2.01 -0.38 -4.87 115.64 116.55 3h2q s THR 2 Ca 0.00 1.75 0.03 0.00 0.31 0.00 0.00 61.69 63.79 3h2q s THR 2 Cb 0.00 -3.96 -0.01 0.00 0.01 0.00 0.00 72.50 68.54 3h2q s THR 2 CO 0.00 0.12 -0.10 -0.54 -0.69 0.00 0.00 174.62 173.41 3h2q s LYS 3 N -2.11 0.79 0.13 4.92 1.02 -1.26 -1.12 119.74 122.11 3h2q s LYS 3 Ca 0.51 -0.47 -0.00 0.00 0.02 0.00 0.00 55.97 56.03 3h2q s LYS 3 Cb -0.19 -0.75 -0.04 0.00 -0.52 0.00 0.00 37.83 36.32 3h2q s LYS 3 CO 0.24 0.20 0.03 0.00 -0.92 0.00 0.00 175.35 174.90 3h2q s ALA 4 N -0.47 0.95 0.03 5.17 0.00 -0.37 -1.34 121.76 125.73 3h2q s ALA 4 Ca 0.02 -1.47 -0.12 0.00 0.00 0.00 0.00 51.96 50.39 3h2q s ALA 4 Cb -0.05 0.71 0.01 0.00 0.00 0.00 0.00 23.12 23.80 3h2q s ALA 4 CO 0.00 -0.43 0.26 0.54 0.00 0.00 0.00 175.76 176.13 3h2q s VAL 5 N -3.93 0.09 -0.07 0.00 0.11 0.51 -0.75 120.40 116.36 3h2q s VAL 5 Ca 0.22 -0.70 -0.03 0.00 -2.93 0.00 0.00 61.98 58.54 3h2q s VAL 5 Cb 0.07 -0.84 0.04 0.00 -1.53 0.00 0.00 36.38 34.12 3h2q s VAL 5 CO 0.01 -0.39 0.14 0.00 -3.33 0.00 0.00 175.10 171.53 3h2q s VAL 7 N 1.38 4.73 -0.11 0.00 1.01 -1.26 -1.55 120.40 124.60 3h2q s VAL 7 Ca -0.07 -0.17 -0.20 0.00 0.00 0.00 0.00 61.98 61.55 3h2q s VAL 7 Cb -0.12 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 3h2q s VAL 7 CO -0.06 0.20 0.54 -0.76 0.00 0.00 0.00 175.10 175.02 3h2q s LEU 8 N 1.66 4.28 0.08 3.92 1.43 -0.03 -3.94 118.68 126.09 3h2q s LEU 8 Ca 0.06 0.91 -0.09 0.00 -1.03 0.00 0.00 54.13 53.98 3h2q s LEU 8 Cb -0.16 -2.80 0.00 0.00 0.03 0.00 0.00 46.19 43.26 3h2q s LEU 8 CO 0.07 -0.03 0.20 -0.75 0.23 0.00 0.00 176.35 176.06 3h2q s LYS 9 N 0.68 0.83 0.00 1.70 2.20 -0.64 -2.28 119.74 122.23 3h2q s LYS 9 Ca 0.29 -0.90 0.00 0.00 -0.36 0.00 0.00 55.97 55.00 3h2q s LYS 9 Cb -0.16 0.34 0.00 0.00 -1.51 0.00 0.00 37.83 36.50 3h2q s LYS 9 CO 0.12 -0.26 0.00 0.41 -0.36 0.00 0.00 175.35 175.26 3h2q n GLY 10 N 0.04 3.04 0.16 5.54 0.00 -1.24 -1.23 105.19 111.50 3h2q n GLY 10 Ca -0.16 -0.73 0.13 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 1.61 3.32 -1.89 -3.45 116.42 116.01 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 0.58 4.94 0.12 2.75 0.00 -1.26 -5.04 105.19 107.28 3h2q n GLY 12 Ca 0.03 -1.70 0.13 0.00 0.00 0.00 0.00 46.02 44.49 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 0.54 -2.35 1.61 -0.04 -1.26 -4.90 135.00 128.59 3h2q n PRO 13 Ca 0.00 -0.24 -0.43 0.00 -0.04 0.00 0.00 63.50 62.79 3h2q n PRO 13 Cb 0.00 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 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 -2.63 4.09 0.02 0.52 1.01 -1.26 -4.41 120.40 117.74 3h2q s VAL 14 Ca 0.23 1.38 -0.08 0.00 0.00 0.00 0.00 61.98 63.51 3h2q s VAL 14 Cb 0.19 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.69 3h2q s VAL 14 CO 0.53 -0.06 0.16 0.00 0.00 0.00 0.00 175.10 175.73 3h2q s GLN 15 N 2.98 0.60 -0.02 2.72 -2.07 -0.87 -3.63 119.66 119.36 3h2q s GLN 15 Ca 0.59 -0.55 -0.30 0.00 -1.82 0.00 0.00 55.36 53.28 3h2q s GLN 15 Cb -0.26 0.25 0.12 0.00 -1.09 0.00 0.00 33.01 32.03 3h2q s GLN 15 CO 0.21 -0.16 1.30 0.20 -1.32 0.00 0.00 175.29 175.52 3h2q s GLY 16 N -1.80 -0.40 -0.06 2.60 0.00 -0.97 -0.38 107.32 106.31 3h2q s GLY 16 Ca -0.09 0.66 0.01 0.00 0.00 0.00 0.00 44.72 45.30 3h2q s GLY 16 CO -0.02 0.50 -0.07 -0.42 0.00 0.00 0.00 173.10 173.10 3h2q s ILE 17 N -2.37 0.75 -0.08 0.90 1.01 -0.92 -0.85 121.20 119.64 3h2q s ILE 17 Ca 0.15 -0.22 0.02 0.00 0.00 0.00 0.00 60.65 60.60 3h2q s ILE 17 Cb 0.05 -0.75 0.01 0.00 0.01 0.00 0.00 42.46 41.78 3h2q s ILE 17 CO -0.04 0.28 -0.14 -0.63 0.00 0.00 0.00 174.94 174.41 3h2q s ILE 18 N 1.01 1.34 0.11 2.92 -1.09 -0.60 -2.31 121.20 122.59 3h2q s ILE 18 Ca -0.09 -0.58 0.03 0.00 -2.23 0.00 0.00 60.65 57.78 3h2q s ILE 18 Cb -0.14 -1.22 -0.04 0.00 -1.58 0.00 0.00 42.46 39.48 3h2q s ILE 18 CO -0.00 0.40 0.13 0.20 -1.23 0.00 0.00 174.94 174.44 3h2q s ASN 19 N 0.76 5.69 -0.00 3.58 0.01 0.15 -1.10 114.94 124.03 3h2q s ASN 19 Ca -0.12 -0.00 0.04 0.00 -0.71 0.00 0.00 52.86 52.06 3h2q s ASN 19 Cb -0.16 -1.56 -0.01 0.00 0.41 0.00 0.00 41.25 39.93 3h2q s ASN 19 CO 0.02 0.13 -0.13 -0.36 -1.51 0.00 0.00 177.10 175.25 3h2q s PHE 20 N -1.56 1.12 -0.05 2.20 0.08 0.07 -1.35 117.98 118.49 3h2q s PHE 20 Ca 0.31 -0.23 -0.03 0.00 0.12 0.00 0.00 56.93 57.09 3h2q s PHE 20 Cb -0.11 -0.71 0.02 0.00 -0.57 0.00 0.00 43.02 41.65 3h2q s PHE 20 CO 0.24 -0.01 0.13 -2.00 -0.10 0.00 0.00 175.22 173.47 3h2q s GLU 21 N -0.44 0.11 -0.21 0.44 2.12 -0.17 -1.23 118.70 119.31 3h2q s GLU 21 Ca 0.04 0.25 -0.04 0.00 0.36 0.00 0.00 54.97 55.58 3h2q s GLU 21 Cb -0.05 -0.05 0.07 0.00 0.26 0.00 0.00 34.13 34.36 3h2q s GLU 21 CO -0.00 -0.08 0.08 -1.14 -0.54 0.00 0.00 175.26 173.58 3h2q s GLN 22 N 0.55 0.31 0.18 4.30 0.74 -0.27 -0.54 119.66 124.92 3h2q s GLN 22 Ca -0.04 -0.34 -0.10 0.00 0.05 0.00 0.00 55.36 54.93 3h2q s GLN 22 Cb -0.06 -1.80 0.08 0.00 1.10 0.00 0.00 33.01 32.33 3h2q s GLN 22 CO -0.02 -0.75 1.68 0.87 -0.55 0.00 0.00 175.29 176.52 3h2q h LYS 23 N 8.34 1.00 -5.16 1.67 1.57 -1.83 -0.99 116.57 121.17 3h2q h LYS 23 Ca -0.16 -0.25 -0.37 0.00 -1.87 0.00 0.00 60.65 58.00 3h2q h LYS 23 Cb 1.10 -0.13 -0.20 0.00 0.08 0.00 0.00 32.23 33.09 3h2q h LYS 23 CO 0.35 0.92 -0.76 -1.21 -0.57 0.00 0.00 179.45 178.18 3h2q s GLU 24 N -5.27 0.83 0.57 3.15 8.01 -1.26 -4.01 118.70 120.71 3h2q s GLU 24 Ca -0.12 -1.04 0.26 0.00 0.01 0.00 0.00 54.97 54.08 3h2q s GLU 24 Cb 0.13 -0.69 1.65 0.00 -4.31 0.00 0.00 34.13 30.90 3h2q s GLU 24 CO 0.83 0.14 2.19 0.66 0.01 0.00 0.00 175.26 179.09 3h2q h SER 25 N 3.97 0.00 -0.34 -0.19 4.64 -1.98 0.17 113.55 119.82 3h2q h SER 25 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 3h2q h SER 25 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3h2q h SER 25 CO 0.46 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.96 3h2q n ASN 26 N -4.02 3.80 -4.99 4.97 6.94 -1.26 -4.89 115.26 115.81 3h2q n ASN 26 Ca -0.02 -2.67 -0.19 0.00 -0.02 0.00 0.00 54.58 51.69 3h2q n ASN 26 Cb 0.15 -0.47 0.02 0.00 -2.36 0.00 0.00 39.78 37.13 3h2q n ASN 26 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 3h2q s GLY 27 N -1.50 1.87 0.84 4.83 0.00 0.59 -5.09 107.32 108.85 3h2q s GLY 27 Ca 0.38 -1.48 -0.11 0.00 0.00 0.00 0.00 44.72 43.51 3h2q s GLY 27 CO 0.13 -1.25 1.10 -4.14 0.00 0.00 0.00 173.10 168.93 3h2q s PRO 28 N -4.55 1.70 -0.22 2.90 0.02 -1.26 -4.84 135.00 128.75 3h2q s PRO 28 Ca 0.56 1.08 -0.06 0.00 0.02 0.00 0.00 61.00 62.60 3h2q s PRO 28 Cb -0.10 -1.84 -0.03 0.00 0.02 0.00 0.00 34.50 32.55 3h2q s PRO 28 CO 0.36 -2.01 0.03 0.08 -0.33 0.00 0.00 177.00 175.12 3h2q s VAL 29 N -2.87 4.11 0.11 3.83 1.01 0.43 -4.43 120.40 122.59 3h2q s VAL 29 Ca 0.63 -0.25 -0.27 0.00 0.00 0.00 0.00 61.98 62.09 3h2q s VAL 29 Cb -0.18 -2.88 -0.07 0.00 0.00 0.00 0.00 36.38 33.25 3h2q s VAL 29 CO 0.57 0.40 0.83 -0.54 0.00 0.00 0.00 175.10 176.35 3h2q s LYS 30 N 1.20 4.60 -0.11 2.72 1.02 0.29 -1.61 119.74 127.85 3h2q s LYS 30 Ca 0.04 1.22 0.01 0.00 0.02 0.00 0.00 55.97 57.25 3h2q s LYS 30 Cb -0.14 -3.33 0.02 0.00 -0.52 0.00 0.00 37.83 33.86 3h2q s LYS 30 CO 0.02 0.38 -0.12 0.08 -0.92 0.00 0.00 175.35 174.78 3h2q s VAL 31 N -0.47 1.29 -0.03 3.17 1.01 0.22 -1.00 120.40 124.59 3h2q s VAL 31 Ca 0.40 -0.50 -0.23 0.00 0.00 0.00 0.00 61.98 61.65 3h2q s VAL 31 Cb -0.22 -1.22 0.05 0.00 0.00 0.00 0.00 36.38 34.98 3h2q s VAL 31 CO 0.26 0.40 0.49 -1.66 0.00 0.00 0.00 175.10 174.60 3h2q s TRP 32 N 1.21 -0.42 -4.91 5.22 -2.14 -0.46 -0.54 118.94 116.90 3h2q s TRP 32 Ca -0.03 0.69 0.00 0.00 2.66 0.00 0.00 56.10 59.42 3h2q s TRP 32 Cb -0.14 0.25 0.00 0.00 -3.10 0.00 0.00 33.47 30.48 3h2q s TRP 32 CO -0.04 -0.50 0.00 0.41 -2.66 0.00 0.00 176.95 174.16 3h2q n GLY 33 N 1.09 -0.50 3.24 3.67 0.00 -0.74 0.35 105.19 112.30 3h2q n GLY 33 Ca -0.20 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 3h2q n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h2q s SER 34 N -4.00 -0.17 -0.03 1.61 1.04 -0.98 -0.22 113.70 110.95 3h2q s SER 34 Ca 0.00 0.01 0.05 0.00 0.48 0.00 0.00 55.95 56.49 3h2q s SER 34 Cb 0.00 0.32 -0.01 0.00 0.10 0.00 0.00 66.02 66.43 3h2q s SER 34 CO 0.00 -0.49 -0.18 -0.63 0.98 0.00 0.00 173.24 172.92 3h2q s ILE 35 N -1.65 1.47 0.35 -1.02 1.01 -0.02 -2.16 121.20 119.18 3h2q s ILE 35 Ca -0.11 -0.77 0.07 0.00 0.00 0.00 0.00 60.65 59.84 3h2q s ILE 35 Cb -0.04 -1.24 -0.07 0.00 0.01 0.00 0.00 42.46 41.12 3h2q s ILE 35 CO 0.02 0.42 -0.02 -1.59 0.00 0.00 0.00 174.94 173.77 3h2q s LYS 36 N -0.21 1.79 0.00 2.79 -2.85 0.49 -0.09 119.74 121.65 3h2q s LYS 36 Ca 0.02 -1.97 0.00 0.00 -1.00 0.00 0.00 55.97 53.02 3h2q s LYS 36 Cb -0.09 -1.42 0.00 0.00 -2.06 0.00 0.00 37.83 34.26 3h2q s LYS 36 CO 0.01 -0.01 0.00 0.41 0.10 0.00 0.00 175.35 175.86 3h2q n GLY 37 N -0.80 0.66 3.93 0.59 0.00 -0.93 -2.06 105.19 106.59 3h2q n GLY 37 Ca -0.05 -0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 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 4.32 0.30 0.99 1.43 -0.75 -4.33 118.68 120.64 3h2q s LEU 38 Ca 0.00 0.27 -0.29 0.00 -1.03 0.00 0.00 54.13 53.08 3h2q s LEU 38 Cb 0.00 -3.00 -0.10 0.00 0.03 0.00 0.00 46.19 43.12 3h2q s LEU 38 CO 0.00 0.08 1.25 0.42 0.23 0.00 0.00 176.35 178.33 3h2q s THR 39 N -1.67 3.00 0.29 5.49 -4.23 -1.26 -4.17 115.64 113.09 3h2q s THR 39 Ca 0.36 0.97 -0.29 0.00 -1.18 0.00 0.00 61.69 61.56 3h2q s THR 39 Cb -0.12 -3.62 -0.14 0.00 1.34 0.00 0.00 72.50 69.97 3h2q s THR 39 CO 0.28 0.22 1.11 1.21 -0.54 0.00 0.00 174.62 176.90 3h2q n GLU 40 N 1.21 1.57 0.00 3.99 2.13 -1.26 -4.61 120.64 123.67 3h2q n GLU 40 Ca 0.01 0.55 0.00 0.00 0.66 0.00 0.00 57.16 58.38 3h2q n GLU 40 Cb 0.43 -2.00 0.00 0.00 0.27 0.00 0.00 31.44 30.14 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 1.23 -0.16 3.79 8.31 0.00 -0.59 -4.91 105.19 112.86 3h2q n GLY 41 Ca 0.09 -2.25 -0.38 0.00 0.00 0.00 0.00 46.02 43.48 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 4.52 -0.04 0.99 1.43 -1.26 -1.19 118.68 123.13 3h2q s LEU 42 Ca 0.00 1.58 0.01 0.00 -1.03 0.00 0.00 54.13 54.69 3h2q s LEU 42 Cb 0.00 -3.39 0.02 0.00 0.03 0.00 0.00 46.19 42.86 3h2q s LEU 42 CO 0.00 0.15 -0.02 -1.00 0.23 0.00 0.00 176.35 175.71 3h2q s HIS 43 N -1.27 0.53 0.44 0.29 3.76 0.23 -2.75 115.29 116.53 3h2q s HIS 43 Ca 0.38 -0.10 -0.25 0.00 -0.15 0.00 0.00 55.06 54.94 3h2q s HIS 43 Cb -0.21 -0.54 -0.09 0.00 1.11 0.00 0.00 32.58 32.85 3h2q s HIS 43 CO 0.24 -0.17 1.32 0.41 -0.85 0.00 0.00 174.74 175.70 3h2q n GLY 44 N 4.13 0.67 2.67 -2.22 0.00 -0.31 -0.13 105.19 110.00 3h2q n GLY 44 Ca -0.25 0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.21 0.84 0.04 1.61 5.36 -0.55 -0.92 117.98 123.15 3h2q s PHE 45 Ca 0.62 -0.92 0.03 0.00 -0.96 0.00 0.00 56.93 55.70 3h2q s PHE 45 Cb -0.48 -1.06 -0.02 0.00 -0.34 0.00 0.00 43.02 41.11 3h2q s PHE 45 CO 0.57 -0.69 -0.10 -1.01 -1.46 0.00 0.00 175.22 172.53 3h2q s HIS 46 N 1.92 0.83 -0.12 10.12 3.76 -0.79 -1.34 115.29 129.66 3h2q s HIS 46 Ca 0.04 -0.44 -0.20 0.00 -0.15 0.00 0.00 55.06 54.31 3h2q s HIS 46 Cb -0.17 -0.49 -0.04 0.00 1.11 0.00 0.00 32.58 33.00 3h2q s HIS 46 CO -0.18 -0.03 0.57 0.08 -0.85 0.00 0.00 174.74 174.33 3h2q s VAL 47 N -1.19 5.11 0.26 -0.90 1.01 0.11 -0.26 120.40 124.55 3h2q s VAL 47 Ca -0.06 1.14 0.06 0.00 0.00 0.00 0.00 61.98 63.13 3h2q s VAL 47 Cb -0.09 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 3h2q s VAL 47 CO 0.01 0.26 0.26 -1.00 0.00 0.00 0.00 175.10 174.63 3h2q s HIS 48 N 0.96 3.19 0.15 5.22 3.76 0.14 -0.79 115.29 127.93 3h2q s HIS 48 Ca 0.30 -0.10 -0.13 0.00 -0.15 0.00 0.00 55.06 54.98 3h2q s HIS 48 Cb -0.16 -1.50 0.03 0.00 1.11 0.00 0.00 32.58 32.05 3h2q s HIS 48 CO 0.13 0.45 1.64 1.49 -0.85 0.00 0.00 174.74 177.60 3h2q h GLU 49 N 1.35 0.82 -5.67 1.40 4.81 -0.54 -2.43 114.58 114.33 3h2q h GLU 49 Ca -0.49 -0.21 -0.66 0.00 -0.13 0.00 0.00 59.36 57.87 3h2q h GLU 49 Cb 1.24 -0.10 -0.21 0.00 0.63 0.00 0.00 28.75 30.31 3h2q h GLU 49 CO 0.60 0.81 -0.68 -0.06 -0.73 0.00 0.00 179.01 178.95 3h2q s PHE 50 N -5.24 2.98 -0.56 0.92 0.08 -0.01 -4.64 117.98 111.52 3h2q s PHE 50 Ca -0.13 -0.17 -0.07 0.00 0.12 0.00 0.00 56.93 56.69 3h2q s PHE 50 Cb 0.12 -1.84 -0.17 0.00 -0.57 0.00 0.00 43.02 40.55 3h2q s PHE 50 CO 0.80 0.13 3.31 0.41 -0.10 0.00 0.00 175.22 179.77 3h2q n GLY 51 N 2.93 3.58 3.11 4.36 0.00 -0.89 -3.88 105.19 114.40 3h2q n GLY 51 Ca -0.18 -1.39 -0.33 0.00 0.00 0.00 0.00 46.02 44.12 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 1.82 4.67 -0.28 1.61 -1.08 -1.26 -4.96 116.67 117.19 3h2q s ASP 52 Ca 0.66 -1.43 0.12 0.00 -0.52 0.00 0.00 52.55 51.38 3h2q s ASP 52 Cb 0.28 -1.63 0.64 0.00 -1.46 0.00 0.00 42.92 40.76 3h2q s ASP 52 CO -0.04 -0.24 1.64 -3.20 0.52 0.00 0.00 175.17 173.84 3h2q n ASN 53 N 4.50 4.12 0.23 -0.34 4.05 -1.26 -2.93 115.26 123.62 3h2q n ASN 53 Ca -0.12 -3.28 0.10 0.00 0.45 0.00 0.00 54.58 51.73 3h2q n ASN 53 Cb 0.42 -0.67 0.54 0.00 1.23 0.00 0.00 39.78 41.30 3h2q n ASN 53 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 3h2q h THR 54 N 2.09 0.63 -2.27 -0.44 1.35 -1.93 -3.31 112.91 109.04 3h2q h THR 54 Ca 0.19 -0.97 -0.58 0.00 -0.55 0.00 0.00 66.41 64.49 3h2q h THR 54 Cb 1.96 1.63 -0.40 0.00 -1.73 0.00 0.00 68.15 69.61 3h2q h THR 54 CO 0.53 0.21 -0.89 0.00 -0.25 0.00 0.00 175.52 175.12 3h2q n ALA 55 N -2.26 3.03 -0.25 6.62 0.00 -1.26 -5.04 120.51 121.34 3h2q n ALA 55 Ca -0.01 -3.78 0.00 0.00 0.00 0.00 0.00 53.44 49.65 3h2q n ALA 55 Cb 0.37 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 1.70 2.48 0.23 0.00 0.00 -1.25 -1.13 105.19 107.23 3h2q n GLY 56 Ca 0.25 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.31 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 1.15 1.34 0.00 0.00 2.02 -1.45 -3.18 112.91 112.78 3h2q h THR 58 Ca 0.00 -2.48 0.00 0.00 0.77 0.00 0.00 66.41 64.70 3h2q h THR 58 Cb 0.46 2.58 0.00 0.00 -1.74 0.00 0.00 68.15 69.45 3h2q h THR 58 CO 0.00 0.75 0.00 -1.54 0.37 0.00 0.00 175.52 175.10 3h2q n SER 59 N -3.76 0.00 0.27 4.18 3.41 -1.11 -1.80 113.62 114.82 3h2q n SER 59 Ca -0.11 0.14 0.18 0.00 -0.26 0.00 0.00 58.87 58.82 3h2q n SER 59 Cb 0.93 -0.31 0.94 0.00 -0.26 0.00 0.00 64.21 65.51 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 2.62 1.00 -0.43 7.33 0.00 -1.51 -3.40 119.26 124.87 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 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 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 -0.91 -0.06 3.83 0.00 0.00 -0.74 -0.83 105.19 106.48 3h2q n GLY 61 Ca -0.02 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.72 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 2.54 0.04 1.61 0.04 -1.26 -4.58 135.00 133.39 3h2q s PRO 62 Ca 0.00 0.65 -0.38 0.00 0.04 0.00 0.00 61.00 61.31 3h2q s PRO 62 Cb 0.00 -1.97 -0.18 0.00 0.04 0.00 0.00 34.50 32.39 3h2q s PRO 62 CO 0.00 -1.30 1.18 1.58 0.04 0.00 0.00 177.00 178.50 3h2q n HIS 63 N -3.22 1.02 -2.14 0.56 -0.00 -1.26 -0.41 115.22 109.76 3h2q n HIS 63 Ca 0.07 0.87 -0.42 0.00 -0.00 0.00 0.00 57.72 58.24 3h2q n HIS 63 Cb 0.56 -2.20 -0.03 0.00 -0.00 0.00 0.00 29.99 28.33 3h2q n HIS 63 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.34 176.46 3h2q s PHE 64 N 0.20 2.28 -0.38 1.57 5.36 0.03 -4.63 117.98 122.40 3h2q s PHE 64 Ca 0.88 0.47 0.07 0.00 -0.96 0.00 0.00 56.93 57.39 3h2q s PHE 64 Cb -1.12 -3.78 0.19 0.00 -0.34 0.00 0.00 43.02 37.96 3h2q s PHE 64 CO 0.52 -3.14 0.62 1.21 -1.46 0.00 0.00 175.22 172.97 3h2q s ASN 65 N 2.86 -1.56 0.14 6.13 2.47 -1.26 -0.62 114.94 123.10 3h2q s ASN 65 Ca 0.67 -0.54 0.14 0.00 0.42 0.00 0.00 52.86 53.56 3h2q s ASN 65 Cb -0.30 1.99 0.67 0.00 -1.45 0.00 0.00 41.25 42.16 3h2q s ASN 65 CO 0.25 -0.20 1.44 -2.65 -3.72 0.00 0.00 177.10 172.21 3h2q n PRO 66 N 4.67 0.08 0.00 0.43 -0.02 -1.26 -4.98 135.00 133.93 3h2q n PRO 66 Ca 0.09 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3h2q n PRO 66 Cb 0.56 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 3h2q n PRO 66 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3h2q n ARG 79 N -1.86 0.00 -2.26 -0.52 1.85 -1.26 -5.17 116.66 107.44 3h2q n ARG 79 Ca 0.01 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.50 3h2q n ARG 79 Cb 0.10 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.50 3h2q n ARG 79 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3h2q s ARG 80 N 0.00 3.61 0.25 2.89 0.52 -1.26 -4.93 118.95 120.02 3h2q s ARG 80 Ca 0.00 1.71 -0.04 0.00 -0.52 0.00 0.00 55.73 56.88 3h2q s ARG 80 Cb 0.00 -2.26 0.48 0.00 0.52 0.00 0.00 34.95 33.70 3h2q s ARG 80 CO 0.00 -0.66 1.68 0.28 0.02 0.00 0.00 175.30 176.62 3h2q h VAL 81 N 1.62 0.49 0.00 3.52 2.07 -1.93 -1.38 116.25 120.65 3h2q h VAL 81 Ca -0.50 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 66.93 3h2q h VAL 81 Cb 1.25 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 3h2q h VAL 81 CO 0.59 0.05 0.00 0.61 0.02 0.00 0.00 177.57 178.84 3h2q n GLY 82 N -1.36 -0.98 3.58 2.17 0.00 0.21 -4.39 105.19 104.43 3h2q n GLY 82 Ca 0.15 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.25 6.55 -0.32 1.61 -1.08 -0.52 0.09 116.67 120.76 3h2q s ASP 83 Ca 0.34 0.27 0.08 0.00 -0.52 0.00 0.00 52.55 52.73 3h2q s ASP 83 Cb 0.18 -2.52 0.54 0.00 -1.46 0.00 0.00 42.92 39.67 3h2q s ASP 83 CO 0.35 -1.25 1.55 0.18 0.52 0.00 0.00 175.17 176.53 3h2q n LEU 84 N 7.77 4.63 0.00 -1.34 4.77 -0.45 -4.89 117.00 127.49 3h2q n LEU 84 Ca 0.09 -3.70 0.00 0.00 -0.03 0.00 0.00 56.01 52.37 3h2q n LEU 84 Cb 0.49 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 3h2q n LEU 84 CO 0.70 1.19 0.00 0.61 -1.33 0.00 0.00 177.39 178.55 3h2q n GLY 85 N -1.08 1.40 3.37 -0.72 0.00 -1.23 -4.74 105.19 102.19 3h2q n GLY 85 Ca 0.38 -0.64 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 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 2.63 0.21 1.61 0.01 -1.26 -1.48 114.94 112.66 3h2q s ASN 86 Ca 0.00 -1.07 0.08 0.00 -0.71 0.00 0.00 52.86 51.16 3h2q s ASN 86 Cb 0.00 -0.15 -0.04 0.00 0.41 0.00 0.00 41.25 41.47 3h2q s ASN 86 CO 0.00 -0.21 0.01 0.68 -1.51 0.00 0.00 177.10 176.06 3h2q s VAL 87 N -2.98 3.67 -0.26 1.60 -7.23 0.81 -4.86 120.40 111.15 3h2q s VAL 87 Ca 0.25 -1.58 0.01 0.00 -1.81 0.00 0.00 61.98 58.85 3h2q s VAL 87 Cb 0.00 -2.89 0.05 0.00 0.56 0.00 0.00 36.38 34.10 3h2q s VAL 87 CO 0.08 -0.21 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.69 3h2q s THR 88 N -1.93 2.42 0.19 5.32 2.01 -1.26 -0.60 115.64 121.78 3h2q s THR 88 Ca 0.29 -1.42 -0.25 0.00 0.31 0.00 0.00 61.69 60.62 3h2q s THR 88 Cb -0.08 -2.35 -0.08 0.00 0.01 0.00 0.00 72.50 70.00 3h2q s THR 88 CO 0.19 0.05 0.79 0.00 -0.69 0.00 0.00 174.62 174.96 3h2q s ALA 89 N 1.19 3.43 0.68 7.40 0.00 -0.33 -4.24 121.76 129.88 3h2q s ALA 89 Ca -0.05 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.26 3h2q s ALA 89 Cb -0.19 -2.96 0.00 0.00 0.00 0.00 0.00 23.12 19.97 3h2q s ALA 89 CO -0.05 0.29 0.00 -0.40 0.00 0.00 0.00 175.76 175.60 3h2q n ASP 90 N 1.39 0.00 0.09 0.00 5.68 0.25 -1.54 116.55 122.42 3h2q n ASP 90 Ca -0.05 -0.88 0.10 0.00 -0.50 0.00 0.00 54.79 53.47 3h2q n ASP 90 Cb 0.49 0.00 0.43 0.00 -1.14 0.00 0.00 41.12 40.90 3h2q n ASP 90 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3h2q n LYS 91 N -0.88 0.13 -0.12 0.11 5.02 -1.26 -1.11 118.16 120.05 3h2q n LYS 91 Ca 0.00 0.38 0.12 0.00 -2.02 0.00 0.00 58.31 56.79 3h2q n LYS 91 Cb 0.00 -1.76 0.26 0.00 -0.02 0.00 0.00 35.03 33.51 3h2q n LYS 91 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3h2q n ASP 92 N -2.01 2.79 -0.10 4.39 8.00 -1.26 -4.93 116.55 123.43 3h2q n ASP 92 Ca 0.02 -1.89 -0.01 0.00 0.71 0.00 0.00 54.79 53.62 3h2q n ASP 92 Cb 0.20 -0.16 -0.01 0.00 -0.02 0.00 0.00 41.12 41.13 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 1.36 0.47 3.39 0.44 0.00 -0.27 -4.73 105.19 105.85 3h2q n GLY 93 Ca 0.18 -1.03 -0.34 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.05 3.33 -0.29 1.61 1.01 -1.26 -1.80 120.40 120.94 3h2q s VAL 94 Ca 0.00 -0.55 -0.08 0.00 0.00 0.00 0.00 61.98 61.35 3h2q s VAL 94 Cb 0.00 -2.44 -0.00 0.00 0.00 0.00 0.00 36.38 33.94 3h2q s VAL 94 CO 0.00 0.50 0.10 0.00 0.00 0.00 0.00 175.10 175.70 3h2q s ALA 95 N 0.59 3.16 -0.21 5.51 0.00 0.87 -0.58 121.76 131.08 3h2q s ALA 95 Ca -0.06 -1.37 -0.19 0.00 0.00 0.00 0.00 51.96 50.34 3h2q s ALA 95 Cb -0.15 -2.22 -0.03 0.00 0.00 0.00 0.00 23.12 20.73 3h2q s ALA 95 CO 0.03 -0.83 0.57 -0.51 0.00 0.00 0.00 175.76 175.02 3h2q s ASP 96 N 1.56 6.59 -0.16 0.00 1.01 -1.26 -0.84 116.67 123.57 3h2q s ASP 96 Ca 0.04 0.72 -0.06 0.00 0.71 0.00 0.00 52.55 53.96 3h2q s ASP 96 Cb -0.17 -2.32 -0.04 0.00 1.01 0.00 0.00 42.92 41.41 3h2q s ASP 96 CO 0.04 -0.25 0.03 -0.69 0.21 0.00 0.00 175.17 174.51 3h2q s VAL 97 N 1.93 4.55 -0.27 -1.27 1.01 0.69 -4.84 120.40 122.21 3h2q s VAL 97 Ca 0.26 -0.13 -0.00 0.00 0.00 0.00 0.00 61.98 62.11 3h2q s VAL 97 Cb -0.16 -3.01 0.15 0.00 0.00 0.00 0.00 36.38 33.36 3h2q s VAL 97 CO 0.10 0.50 0.40 -0.55 0.00 0.00 0.00 175.10 175.55 3h2q s SER 98 N 0.07 0.33 0.04 3.32 0.15 -1.25 -1.80 113.70 114.56 3h2q s SER 98 Ca 0.04 -0.11 0.03 0.00 0.70 0.00 0.00 55.95 56.60 3h2q s SER 98 Cb -0.13 1.12 -0.02 0.00 -1.71 0.00 0.00 66.02 65.28 3h2q s SER 98 CO 0.01 -0.33 -0.09 -0.63 1.20 0.00 0.00 173.24 173.40 3h2q s ILE 99 N 2.55 0.70 -0.10 6.45 1.01 0.30 -5.00 121.20 127.10 3h2q s ILE 99 Ca 0.11 -0.99 0.04 0.00 0.00 0.00 0.00 60.65 59.81 3h2q s ILE 99 Cb -0.14 -0.71 0.00 0.00 0.01 0.00 0.00 42.46 41.63 3h2q s ILE 99 CO -0.24 -0.23 -0.22 -0.70 0.00 0.00 0.00 174.94 173.54 3h2q s GLU 100 N -1.34 2.88 -0.04 2.79 2.12 -1.26 -0.61 118.70 123.24 3h2q s GLU 100 Ca -0.05 -0.82 0.02 0.00 0.36 0.00 0.00 54.97 54.47 3h2q s GLU 100 Cb -0.09 -2.19 0.01 0.00 0.26 0.00 0.00 34.13 32.12 3h2q s GLU 100 CO 0.01 0.15 -0.08 0.34 -0.54 0.00 0.00 175.26 175.14 3h2q s ASP 101 N 0.40 1.19 -0.07 -1.70 -1.08 -0.64 -4.96 116.67 109.82 3h2q s ASP 101 Ca -0.18 -0.18 0.16 0.00 -0.52 0.00 0.00 52.55 51.82 3h2q s ASP 101 Cb -0.18 -0.48 0.53 0.00 -1.46 0.00 0.00 42.92 41.33 3h2q s ASP 101 CO 0.08 0.01 1.44 -1.54 0.52 0.00 0.00 175.17 175.68 3h2q n SER 102 N 3.70 3.84 -0.09 -0.34 3.41 -1.26 -0.43 113.62 122.45 3h2q n SER 102 Ca -0.22 -2.34 -0.14 0.00 -0.26 0.00 0.00 58.87 55.90 3h2q n SER 102 Cb 0.52 -0.44 -0.08 0.00 -0.26 0.00 0.00 64.21 63.96 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 0.65 1.00 -1.23 -3.33 0.31 -1.26 -4.92 118.33 109.55 3h2q n VAL 103 Ca 0.20 -0.34 -0.31 0.00 -0.01 0.00 0.00 64.34 63.88 3h2q n VAL 103 Cb 0.69 -1.31 0.10 0.00 -0.91 0.00 0.00 33.84 32.41 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 -2.34 3.15 0.17 2.52 -4.36 -1.26 -4.84 121.20 114.24 3h2q s ILE 104 Ca -0.24 0.37 -0.05 0.00 -0.26 0.00 0.00 60.65 60.47 3h2q s ILE 104 Cb 0.07 -2.84 -0.02 0.00 1.25 0.00 0.00 42.46 40.92 3h2q s ILE 104 CO 0.38 -0.49 0.21 -0.55 0.24 0.00 0.00 174.94 174.73 3h2q s SER 105 N -3.37 0.12 -0.10 4.36 0.15 -0.87 -4.62 113.70 109.37 3h2q s SER 105 Ca 0.62 -1.09 0.15 0.00 0.70 0.00 0.00 55.95 56.33 3h2q s SER 105 Cb -0.17 0.41 0.54 0.00 -1.71 0.00 0.00 66.02 65.08 3h2q s SER 105 CO 0.56 -0.87 1.45 0.18 1.20 0.00 0.00 173.24 175.77 3h2q n LEU 106 N -0.22 3.94 -3.80 3.45 4.77 -1.26 -1.57 117.00 122.32 3h2q n LEU 106 Ca -0.04 -2.47 -0.07 0.00 -0.03 0.00 0.00 56.01 53.40 3h2q n LEU 106 Cb 0.64 -0.46 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 3h2q n LEU 106 CO 0.28 0.75 0.51 -0.94 -1.33 0.00 0.00 177.39 176.65 3h2q s SER 107 N -1.24 -0.28 0.18 -1.43 1.04 -1.26 -4.82 113.70 105.89 3h2q s SER 107 Ca 0.40 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.32 3h2q s SER 107 Cb 0.27 0.67 0.00 0.00 0.10 0.00 0.00 66.02 67.06 3h2q s SER 107 CO 0.17 -1.23 0.00 0.61 0.98 0.00 0.00 173.24 173.77 3h2q n GLY 108 N -0.45 -1.06 0.27 7.32 0.00 -1.26 -3.28 105.19 106.72 3h2q n GLY 108 Ca -0.06 -1.22 0.01 0.00 0.00 0.00 0.00 46.02 44.75 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 0.06 0.39 -0.58 1.61 3.32 -2.00 -1.72 116.42 117.49 3h2q h ASP 109 Ca 0.00 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3h2q h ASP 109 Cb 0.00 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.45 3h2q h ASP 109 CO 0.00 0.46 0.00 1.41 -1.72 0.00 0.00 179.24 179.39 3h2q n HIS 110 N -4.31 1.30 -1.67 4.55 8.25 -1.26 -4.94 115.22 117.13 3h2q n HIS 110 Ca 0.01 -0.52 -0.46 0.00 -0.26 0.00 0.00 57.72 56.49 3h2q n HIS 110 Cb 0.22 -0.21 -0.04 0.00 1.12 0.00 0.00 29.99 31.08 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 3.24 0.00 -1.83 0.00 -5.35 -0.61 -4.90 119.36 109.90 3h2q n ILE 112 Ca 0.16 -0.47 -0.42 0.00 -0.27 0.00 0.00 62.75 61.76 3h2q n ILE 112 Cb 0.29 1.29 -0.02 0.00 -1.74 0.00 0.00 39.64 39.46 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 -1.38 2.24 0.00 7.28 1.01 -1.26 -1.65 121.20 127.45 3h2q s ILE 113 Ca 0.17 0.19 0.00 0.00 0.00 0.00 0.00 60.65 61.01 3h2q s ILE 113 Cb 0.13 -3.12 0.00 0.00 0.01 0.00 0.00 42.46 39.47 3h2q s ILE 113 CO 0.23 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.80 3h2q n GLY 114 N 2.73 1.38 1.29 6.18 0.00 0.20 -5.00 105.19 111.98 3h2q n GLY 114 Ca 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.00 0.88 -4.84 1.61 1.74 -0.66 -2.09 116.66 111.30 3h2q n ARG 115 Ca 0.00 -1.04 -0.32 0.00 -0.77 0.00 0.00 57.85 55.72 3h2q n ARG 115 Cb 0.00 -0.07 -0.17 0.00 -1.02 0.00 0.00 32.46 31.20 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 -0.22 2.09 0.03 0.55 2.01 -0.92 -0.53 115.64 118.65 3h2q s THR 116 Ca 0.20 -0.98 -0.24 0.00 0.31 0.00 0.00 61.69 60.98 3h2q s THR 116 Cb -0.02 -1.82 -0.05 0.00 0.01 0.00 0.00 72.50 70.62 3h2q s THR 116 CO 0.13 0.55 0.72 -0.22 -0.69 0.00 0.00 174.62 175.10 3h2q s LEU 117 N 0.66 4.44 -0.03 4.42 2.96 -0.47 0.29 118.68 130.95 3h2q s LEU 117 Ca -0.11 1.37 0.04 0.00 -0.22 0.00 0.00 54.13 55.21 3h2q s LEU 117 Cb -0.16 -3.14 -0.00 0.00 0.50 0.00 0.00 46.19 43.38 3h2q s LEU 117 CO 0.02 0.04 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.25 3h2q s VAL 118 N -0.11 1.21 -0.15 1.68 1.01 0.64 -2.12 120.40 122.56 3h2q s VAL 118 Ca 0.36 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 3h2q s VAL 118 Cb -0.20 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 3h2q s VAL 118 CO 0.21 0.35 -0.10 0.54 0.00 0.00 0.00 175.10 176.11 3h2q s VAL 119 N -0.03 3.30 0.28 2.92 0.11 -0.38 -1.89 120.40 124.71 3h2q s VAL 119 Ca -0.01 -0.56 0.02 0.00 -2.93 0.00 0.00 61.98 58.50 3h2q s VAL 119 Cb -0.09 -2.42 -0.03 0.00 -1.53 0.00 0.00 36.38 32.31 3h2q s VAL 119 CO 0.01 0.51 0.44 -1.00 -3.33 0.00 0.00 175.10 171.73 3h2q s HIS 120 N 0.48 3.48 0.15 1.54 3.76 -0.10 -0.85 115.29 123.75 3h2q s HIS 120 Ca -0.07 0.18 -0.17 0.00 -0.15 0.00 0.00 55.06 54.85 3h2q s HIS 120 Cb -0.15 -1.74 0.04 0.00 1.11 0.00 0.00 32.58 31.84 3h2q s HIS 120 CO 0.04 0.30 1.75 1.49 -0.85 0.00 0.00 174.74 177.47 3h2q h GLU 121 N 1.10 0.26 -5.71 1.40 4.81 -0.42 -3.37 114.58 112.65 3h2q h GLU 121 Ca -0.51 -0.02 -0.61 0.00 -0.13 0.00 0.00 59.36 58.10 3h2q h GLU 121 Cb 1.22 -0.06 -0.11 0.00 0.63 0.00 0.00 28.75 30.43 3h2q h GLU 121 CO 0.62 0.17 -0.53 0.15 -0.73 0.00 0.00 179.01 178.69 3h2q s LYS 122 N -6.16 2.11 0.47 1.92 1.02 0.18 -4.88 119.74 114.39 3h2q s LYS 122 Ca -0.13 -2.04 -0.23 0.00 0.02 0.00 0.00 55.97 53.58 3h2q s LYS 122 Cb 0.11 -1.78 -0.07 0.00 -0.52 0.00 0.00 37.83 35.57 3h2q s LYS 122 CO 0.71 -0.15 1.28 0.00 -0.92 0.00 0.00 175.35 176.27 3h2q s ALA 123 N -2.69 3.02 -0.21 5.17 0.00 -1.11 -1.16 121.76 124.77 3h2q s ALA 123 Ca 0.33 1.18 -0.21 0.00 0.00 0.00 0.00 51.96 53.27 3h2q s ALA 123 Cb 0.06 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 3h2q s ALA 123 CO 0.18 -0.98 0.65 0.34 0.00 0.00 0.00 175.76 175.96 3h2q s ASP 124 N -1.00 6.68 0.00 0.00 -1.08 -1.26 -3.97 116.67 116.04 3h2q s ASP 124 Ca 0.64 0.83 0.29 0.00 -0.52 0.00 0.00 52.55 53.79 3h2q s ASP 124 Cb -0.36 -2.36 1.72 0.00 -1.46 0.00 0.00 42.92 40.47 3h2q s ASP 124 CO 0.44 -0.32 2.06 -0.90 0.52 0.00 0.00 175.17 176.98 3h2q n ASP 125 N 5.27 0.00 -1.76 -0.34 5.68 -1.26 -4.86 116.55 119.29 3h2q n ASP 125 Ca -0.00 -0.90 -0.17 0.00 -0.50 0.00 0.00 54.79 53.21 3h2q n ASP 125 Cb 0.49 -0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.44 3h2q n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3h2q n LEU 126 N -1.00 -1.61 0.00 -2.12 4.77 -1.26 -0.87 117.00 114.91 3h2q n LEU 126 Ca 0.22 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 3h2q n LEU 126 Cb 0.10 -2.52 0.00 0.00 -2.33 0.00 0.00 43.42 38.67 3h2q n LEU 126 CO 0.16 -0.45 0.00 0.61 -1.33 0.00 0.00 177.39 176.38 3h2q n GLY 127 N -0.95 0.32 2.46 -0.72 0.00 -1.26 -4.92 105.19 100.13 3h2q n GLY 127 Ca -0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 3h2q n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h2q n LYS 128 N -1.50 3.43 -0.01 1.61 5.02 -0.05 -4.78 118.16 121.87 3h2q n LYS 128 Ca 0.00 -4.49 0.13 0.00 -2.02 0.00 0.00 58.31 51.93 3h2q n LYS 128 Cb 0.18 -2.25 0.44 0.00 -0.02 0.00 0.00 35.03 33.39 3h2q n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h2q n GLY 129 N -0.49 0.20 1.47 0.72 0.00 -1.26 -4.94 105.19 100.89 3h2q n GLY 129 Ca 0.39 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3h2q n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h2q n GLY 130 N 1.21 0.76 2.49 -0.02 0.00 -1.26 -4.99 105.19 103.38 3h2q n GLY 130 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 3h2q n GLY 130 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3h2q s ASN 131 N -2.63 3.07 0.04 1.61 2.47 -1.26 -4.95 114.94 113.29 3h2q s ASN 131 Ca 0.00 -2.17 0.13 0.00 0.42 0.00 0.00 52.86 51.24 3h2q s ASN 131 Cb 0.00 -0.45 0.55 0.00 -1.45 0.00 0.00 41.25 39.89 3h2q s ASN 131 CO 0.00 -0.31 1.40 -0.62 -3.72 0.00 0.00 177.10 173.85 3h2q n GLU 132 N 4.08 0.03 0.00 0.43 1.02 -1.26 -5.13 120.64 119.80 3h2q n GLU 132 Ca 0.11 0.34 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 3h2q n GLU 132 Cb 0.37 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 3h2q n GLU 132 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3h2q n GLU 133 N -1.61 0.00 0.00 3.49 1.02 -1.26 -5.23 120.64 117.05 3h2q n GLU 133 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 3h2q n GLU 133 Cb 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.56 3h2q n GLU 133 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3h2q n ASN 139 N 5.85 0.00 0.15 1.62 2.85 -1.26 -5.30 115.26 119.17 3h2q n ASN 139 Ca 0.00 0.00 0.13 0.00 -0.11 0.00 0.00 54.58 54.60 3h2q n ASN 139 Cb 0.00 0.00 0.45 0.00 1.24 0.00 0.00 39.78 41.47 3h2q n ASN 139 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3h2q h ALA 140 N 0.00 1.00 -0.02 5.20 0.00 -1.84 -3.43 119.26 120.16 3h2q h ALA 140 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h2q h ALA 140 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3h2q h ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3h2q n GLY 141 N 0.60 -1.00 3.74 0.00 0.00 -1.26 -0.65 105.19 106.63 3h2q n GLY 141 Ca 0.03 -1.22 -0.30 0.00 0.00 0.00 0.00 46.02 44.54 3h2q n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h2q s SER 142 N -4.00 3.81 -0.38 1.61 1.04 -1.26 -4.62 113.70 109.89 3h2q s SER 142 Ca 0.00 1.48 -0.16 0.00 0.48 0.00 0.00 55.95 57.75 3h2q s SER 142 Cb 0.00 -2.17 0.00 0.00 0.10 0.00 0.00 66.02 63.95 3h2q s SER 142 CO 0.00 -2.43 0.38 -0.13 0.98 0.00 0.00 173.24 172.04 3h2q s ARG 143 N -4.98 3.31 0.10 4.02 0.52 -1.26 -0.13 118.95 120.52 3h2q s ARG 143 Ca 0.63 -0.63 -0.02 0.00 -0.52 0.00 0.00 55.73 55.19 3h2q s ARG 143 Cb -0.17 -3.89 -0.22 0.00 0.52 0.00 0.00 34.95 31.19 3h2q s ARG 143 CO 0.56 -0.68 1.20 -0.07 0.02 0.00 0.00 175.30 176.34 3h2q h LEU 144 N 8.85 0.36 -7.00 2.53 3.38 -1.29 -3.46 115.31 118.68 3h2q h LEU 144 Ca -0.28 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.31 3h2q h LEU 144 Cb 1.13 -0.12 -0.17 0.00 0.09 0.00 0.00 40.66 41.60 3h2q h LEU 144 CO 0.74 1.26 0.27 0.00 0.09 0.00 0.00 178.44 180.79 3h2q s ALA 145 N -2.78 -1.73 0.23 1.53 0.00 -1.15 -3.88 121.76 113.98 3h2q s ALA 145 Ca -0.03 1.03 -0.22 0.00 0.00 0.00 0.00 51.96 52.74 3h2q s ALA 145 Cb 0.08 0.28 0.04 0.00 0.00 0.00 0.00 23.12 23.52 3h2q s ALA 145 CO 0.87 -0.54 0.68 0.00 0.00 0.00 0.00 175.76 176.77 3h2q s GLY 147 N -2.86 -0.50 0.23 0.00 0.00 -0.90 -1.62 107.32 101.68 3h2q s GLY 147 Ca 0.07 1.06 -0.30 0.00 0.00 0.00 0.00 44.72 45.56 3h2q s GLY 147 CO -0.00 0.73 1.09 0.14 0.00 0.00 0.00 173.10 175.06 3h2q s VAL 148 N -1.41 3.68 -0.24 1.40 1.01 -1.26 -1.37 120.40 122.21 3h2q s VAL 148 Ca -0.11 1.58 -0.25 0.00 0.00 0.00 0.00 61.98 63.20 3h2q s VAL 148 Cb -0.01 -4.01 -0.00 0.00 0.00 0.00 0.00 36.38 32.36 3h2q s VAL 148 CO 0.07 0.33 0.84 -0.63 0.00 0.00 0.00 175.10 175.72 3h2q s ILE 149 N -0.76 4.83 0.23 2.22 1.01 0.31 -4.49 121.20 124.55 3h2q s ILE 149 Ca 0.46 1.60 0.09 0.00 0.00 0.00 0.00 60.65 62.81 3h2q s ILE 149 Cb -0.31 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 37.99 3h2q s ILE 149 CO 0.38 -0.08 -0.06 -0.83 0.00 0.00 0.00 174.94 174.35 3h2q s GLY 150 N 1.33 1.71 0.18 6.18 0.00 0.34 -0.63 107.32 116.43 3h2q s GLY 150 Ca 0.35 -1.59 -0.31 0.00 0.00 0.00 0.00 44.72 43.18 3h2q s GLY 150 CO 0.07 -1.64 1.43 -0.42 0.00 0.00 0.00 173.10 172.54 3h2q s ILE 151 N -2.06 2.94 0.26 0.90 1.01 -1.26 -0.36 121.20 122.63 3h2q s ILE 151 Ca 0.28 0.73 0.11 0.00 0.00 0.00 0.00 60.65 61.77 3h2q s ILE 151 Cb -0.07 -3.46 -0.05 0.00 0.01 0.00 0.00 42.46 38.89 3h2q s ILE 151 CO 0.17 0.09 -0.12 0.00 0.00 0.00 0.00 174.94 175.08 3h2q s ALA 152 N 0.57 2.90 -2.00 9.38 0.00 -0.45 -4.76 121.76 127.40 3h2q s ALA 152 Ca 0.62 -1.76 0.29 0.00 0.00 0.00 0.00 51.96 51.12 3h2q s ALA 152 Cb -0.40 -0.48 1.75 0.00 0.00 0.00 0.00 23.12 23.99 3h2q s ALA 152 CO 0.36 0.30 2.09 0.94 0.00 0.00 0.00 175.76 179.44