#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h2q n THR 2 N 0.00 0.00 -3.89 0.00 -2.24 -1.26 -4.79 114.28 102.10 3h2q n THR 2 Ca 0.00 -0.41 -0.11 0.00 -2.27 0.00 0.00 64.05 61.26 3h2q n THR 2 Cb 0.00 1.09 -0.13 0.00 -2.10 0.00 0.00 70.33 69.19 3h2q n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3h2q s LYS 3 N -0.40 0.14 0.19 -0.78 1.02 -1.26 -0.59 119.74 118.06 3h2q s LYS 3 Ca 0.00 -0.13 -0.04 0.00 0.02 0.00 0.00 55.97 55.83 3h2q s LYS 3 Cb 0.00 0.06 -0.03 0.00 -0.52 0.00 0.00 37.83 37.33 3h2q s LYS 3 CO 0.00 -0.02 0.18 0.00 -0.92 0.00 0.00 175.35 174.59 3h2q s ALA 4 N -0.42 0.78 0.07 5.17 0.00 -0.34 -1.58 121.76 125.44 3h2q s ALA 4 Ca -0.05 -1.45 -0.10 0.00 0.00 0.00 0.00 51.96 50.36 3h2q s ALA 4 Cb -0.03 1.18 0.01 0.00 0.00 0.00 0.00 23.12 24.28 3h2q s ALA 4 CO -0.00 -0.61 0.22 0.54 0.00 0.00 0.00 175.76 175.90 3h2q s VAL 5 N -4.10 0.12 -0.09 0.00 0.11 -0.26 -0.89 120.40 115.30 3h2q s VAL 5 Ca 0.31 -0.97 -0.05 0.00 -2.93 0.00 0.00 61.98 58.34 3h2q s VAL 5 Cb 0.06 -1.12 0.04 0.00 -1.53 0.00 0.00 36.38 33.83 3h2q s VAL 5 CO 0.08 -0.54 0.21 0.00 -3.33 0.00 0.00 175.10 171.53 3h2q s VAL 7 N 0.98 4.66 -0.04 0.00 1.01 -1.26 -0.90 120.40 124.86 3h2q s VAL 7 Ca -0.07 -0.26 -0.19 0.00 0.00 0.00 0.00 61.98 61.46 3h2q s VAL 7 Cb -0.09 -3.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 3h2q s VAL 7 CO -0.06 0.16 0.55 -0.76 0.00 0.00 0.00 175.10 174.99 3h2q s LEU 8 N 1.64 4.38 0.04 3.92 1.43 0.11 -3.95 118.68 126.25 3h2q s LEU 8 Ca 0.05 1.05 -0.12 0.00 -1.03 0.00 0.00 54.13 54.08 3h2q s LEU 8 Cb -0.16 -2.84 0.01 0.00 0.03 0.00 0.00 46.19 43.23 3h2q s LEU 8 CO 0.06 0.09 0.27 -0.54 0.23 0.00 0.00 176.35 176.46 3h2q s LYS 9 N -0.02 0.75 0.00 1.70 1.02 -0.76 -2.80 119.74 119.64 3h2q s LYS 9 Ca 0.29 -0.51 0.00 0.00 0.02 0.00 0.00 55.97 55.77 3h2q s LYS 9 Cb -0.17 0.32 0.00 0.00 -0.52 0.00 0.00 37.83 37.46 3h2q s LYS 9 CO 0.15 -0.23 0.00 0.41 -0.92 0.00 0.00 175.35 174.76 3h2q n GLY 10 N 0.70 3.50 0.11 -3.33 0.00 -1.24 -1.24 105.19 103.68 3h2q n GLY 10 Ca -0.19 -1.18 0.13 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.94 1.61 3.32 -1.93 -3.46 116.42 115.02 3h2q h ASP 11 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.02 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 0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.14 3h2q n GLY 12 N 1.30 3.00 0.33 2.75 0.00 -1.26 -5.02 105.19 106.28 3h2q n GLY 12 Ca 0.05 -1.96 0.14 0.00 0.00 0.00 0.00 46.02 44.25 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 1.37 -2.31 1.61 -0.04 -1.26 -4.90 135.00 129.46 3h2q n PRO 13 Ca 0.00 -0.65 -0.42 0.00 -0.04 0.00 0.00 63.50 62.38 3h2q n PRO 13 Cb 0.00 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 31.95 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 -2.08 4.01 -0.01 0.52 1.01 -1.26 -4.33 120.40 118.25 3h2q s VAL 14 Ca 0.38 1.30 -0.20 0.00 0.00 0.00 0.00 61.98 63.47 3h2q s VAL 14 Cb 0.21 -3.84 0.04 0.00 0.00 0.00 0.00 36.38 32.79 3h2q s VAL 14 CO 0.37 -0.06 0.42 0.00 0.00 0.00 0.00 175.10 175.84 3h2q s GLN 15 N 2.96 0.82 -0.01 2.72 -2.07 -0.75 -3.70 119.66 119.63 3h2q s GLN 15 Ca 0.60 -0.12 -0.30 0.00 -1.82 0.00 0.00 55.36 53.72 3h2q s GLN 15 Cb -0.27 0.37 0.12 0.00 -1.09 0.00 0.00 33.01 32.14 3h2q s GLN 15 CO 0.22 -0.25 1.26 0.20 -1.32 0.00 0.00 175.29 175.40 3h2q s GLY 16 N -1.44 -0.40 -0.11 2.60 0.00 -1.12 -0.40 107.32 106.44 3h2q s GLY 16 Ca -0.11 0.69 0.03 0.00 0.00 0.00 0.00 44.72 45.33 3h2q s GLY 16 CO 0.04 0.13 -0.21 -0.42 0.00 0.00 0.00 173.10 172.64 3h2q s ILE 17 N -2.48 1.92 -0.13 0.90 1.01 -1.08 -0.71 121.20 120.62 3h2q s ILE 17 Ca 0.14 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 59.90 3h2q s ILE 17 Cb 0.04 -1.68 0.01 0.00 0.01 0.00 0.00 42.46 40.84 3h2q s ILE 17 CO -0.04 0.53 -0.21 -0.63 0.00 0.00 0.00 174.94 174.59 3h2q s ILE 18 N 0.62 1.95 0.09 2.92 -1.09 -0.08 -2.75 121.20 122.86 3h2q s ILE 18 Ca -0.13 -0.91 -0.03 0.00 -2.23 0.00 0.00 60.65 57.35 3h2q s ILE 18 Cb -0.17 -1.73 -0.05 0.00 -1.58 0.00 0.00 42.46 38.93 3h2q s ILE 18 CO 0.03 0.53 0.29 0.20 -1.23 0.00 0.00 174.94 174.76 3h2q s ASN 19 N 0.86 6.44 0.02 3.58 0.01 0.19 -0.64 114.94 125.40 3h2q s ASN 19 Ca -0.07 0.46 0.04 0.00 -0.71 0.00 0.00 52.86 52.58 3h2q s ASN 19 Cb -0.15 -2.04 -0.02 0.00 0.41 0.00 0.00 41.25 39.45 3h2q s ASN 19 CO -0.02 0.13 -0.13 -0.36 -1.51 0.00 0.00 177.10 175.21 3h2q s PHE 20 N -1.54 1.16 -0.12 2.20 0.08 -0.07 -1.22 117.98 118.48 3h2q s PHE 20 Ca 0.36 -0.29 -0.08 0.00 0.12 0.00 0.00 56.93 57.04 3h2q s PHE 20 Cb -0.13 -0.71 0.04 0.00 -0.57 0.00 0.00 43.02 41.66 3h2q s PHE 20 CO 0.24 0.01 0.30 -2.00 -0.10 0.00 0.00 175.22 173.67 3h2q s GLU 21 N -0.78 0.29 -0.27 0.44 2.12 -0.03 -1.20 118.70 119.27 3h2q s GLU 21 Ca 0.03 0.55 -0.03 0.00 0.36 0.00 0.00 54.97 55.88 3h2q s GLU 21 Cb -0.07 -0.02 0.09 0.00 0.26 0.00 0.00 34.13 34.40 3h2q s GLU 21 CO 0.00 -0.13 0.10 -1.14 -0.54 0.00 0.00 175.26 173.56 3h2q s GLN 22 N 0.96 0.40 0.25 4.30 0.74 0.24 -0.42 119.66 126.15 3h2q s GLN 22 Ca -0.07 -0.64 0.12 0.00 0.05 0.00 0.00 55.36 54.83 3h2q s GLN 22 Cb -0.07 -1.62 0.24 0.00 1.10 0.00 0.00 33.01 32.66 3h2q s GLN 22 CO -0.07 -0.92 1.53 0.87 -0.55 0.00 0.00 175.29 176.15 3h2q h LYS 23 N 8.29 0.00 -6.21 1.67 1.57 -1.81 -3.42 116.57 116.66 3h2q h LYS 23 Ca -0.17 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.94 3h2q h LYS 23 Cb 1.04 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.05 3h2q h LYS 23 CO 0.42 0.66 -0.88 -1.21 -0.57 0.00 0.00 179.45 177.87 3h2q s GLU 24 N -3.30 2.16 0.28 3.15 8.01 -1.26 -5.06 118.70 122.69 3h2q s GLU 24 Ca 0.00 -0.87 -0.30 0.00 0.01 0.00 0.00 54.97 53.82 3h2q s GLU 24 Cb 0.11 -1.97 -0.13 0.00 -4.31 0.00 0.00 34.13 27.83 3h2q s GLU 24 CO 0.76 0.46 1.37 0.43 0.01 0.00 0.00 175.26 178.29 3h2q n SER 25 N 2.69 2.80 0.00 -0.19 7.64 -1.26 0.12 113.62 125.41 3h2q n SER 25 Ca -0.17 1.16 0.00 0.00 1.01 0.00 0.00 58.87 60.88 3h2q n SER 25 Cb 0.52 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 3h2q n SER 25 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3h2q n ASN 26 N 1.68 -0.46 -4.19 6.43 3.02 -1.26 -4.97 115.26 115.51 3h2q n ASN 26 Ca 0.09 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.34 3h2q n ASN 26 Cb 0.33 -1.82 0.18 0.00 -0.61 0.00 0.00 39.78 37.86 3h2q n ASN 26 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3h2q s GLY 27 N -2.00 1.77 0.47 7.41 0.00 0.12 -5.04 107.32 110.06 3h2q s GLY 27 Ca 0.00 -1.18 -0.23 0.00 0.00 0.00 0.00 44.72 43.31 3h2q s GLY 27 CO 0.00 -0.43 1.23 -4.14 0.00 0.00 0.00 173.10 169.75 3h2q s PRO 28 N -5.86 3.63 -0.21 2.90 0.02 -1.26 -4.89 135.00 129.32 3h2q s PRO 28 Ca 0.73 1.93 -0.08 0.00 0.02 0.00 0.00 61.00 63.61 3h2q s PRO 28 Cb -0.04 -2.41 -0.04 0.00 0.02 0.00 0.00 34.50 32.03 3h2q s PRO 28 CO 0.53 -0.70 0.08 0.08 -0.33 0.00 0.00 177.00 176.65 3h2q s VAL 29 N -1.45 4.71 -0.09 3.83 1.01 -0.09 -4.47 120.40 123.85 3h2q s VAL 29 Ca 0.65 -0.05 -0.16 0.00 0.00 0.00 0.00 61.98 62.42 3h2q s VAL 29 Cb -0.33 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.85 3h2q s VAL 29 CO 0.40 0.40 0.41 -0.54 0.00 0.00 0.00 175.10 175.76 3h2q s LYS 30 N 0.91 4.17 -0.15 2.72 1.02 0.45 -1.39 119.74 127.46 3h2q s LYS 30 Ca 0.04 0.35 0.00 0.00 0.02 0.00 0.00 55.97 56.39 3h2q s LYS 30 Cb -0.14 -3.36 0.02 0.00 -0.52 0.00 0.00 37.83 33.84 3h2q s LYS 30 CO 0.03 0.36 -0.15 0.08 -0.92 0.00 0.00 175.35 174.75 3h2q s VAL 31 N -0.00 1.63 0.04 3.17 1.01 0.33 -0.85 120.40 125.73 3h2q s VAL 31 Ca 0.23 -0.67 -0.11 0.00 0.00 0.00 0.00 61.98 61.43 3h2q s VAL 31 Cb -0.15 -1.52 0.01 0.00 0.00 0.00 0.00 36.38 34.72 3h2q s VAL 31 CO 0.10 0.47 0.24 -1.66 0.00 0.00 0.00 175.10 174.24 3h2q s TRP 32 N 1.44 -0.01 -4.75 5.22 -2.14 -0.36 -0.46 118.94 117.89 3h2q s TRP 32 Ca 0.04 -0.18 0.00 0.00 2.66 0.00 0.00 56.10 58.62 3h2q s TRP 32 Cb -0.13 0.02 0.00 0.00 -3.10 0.00 0.00 33.47 30.26 3h2q s TRP 32 CO -0.10 -0.46 0.00 0.41 -2.66 0.00 0.00 176.95 174.14 3h2q n GLY 33 N 0.65 -0.50 3.03 3.67 0.00 -0.58 0.56 105.19 112.02 3h2q n GLY 33 Ca -0.19 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.04 -0.04 1.61 0.15 -1.11 -0.70 113.70 109.57 3h2q s SER 34 Ca 0.00 0.03 0.04 0.00 0.70 0.00 0.00 55.95 56.72 3h2q s SER 34 Cb 0.00 0.22 -0.00 0.00 -1.71 0.00 0.00 66.02 64.53 3h2q s SER 34 CO 0.00 -0.17 -0.16 -0.63 1.20 0.00 0.00 173.24 173.48 3h2q s ILE 35 N -0.54 1.35 0.38 6.45 1.01 -0.18 -2.62 121.20 127.05 3h2q s ILE 35 Ca -0.06 -0.67 0.05 0.00 0.00 0.00 0.00 60.65 59.97 3h2q s ILE 35 Cb -0.04 -1.17 -0.06 0.00 0.01 0.00 0.00 42.46 41.20 3h2q s ILE 35 CO 0.00 0.39 0.04 -1.59 0.00 0.00 0.00 174.94 173.79 3h2q s LYS 36 N 0.09 1.85 0.00 2.79 -2.85 0.47 0.07 119.74 122.15 3h2q s LYS 36 Ca -0.04 -2.06 0.00 0.00 -1.00 0.00 0.00 55.97 52.86 3h2q s LYS 36 Cb -0.11 -1.21 0.00 0.00 -2.06 0.00 0.00 37.83 34.44 3h2q s LYS 36 CO 0.02 -0.18 0.00 0.41 0.10 0.00 0.00 175.35 175.71 3h2q n GLY 37 N -0.87 0.50 3.91 0.59 0.00 -1.03 -1.81 105.19 106.49 3h2q n GLY 37 Ca -0.05 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 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 3.98 0.29 0.99 1.43 -0.74 -4.14 118.68 120.49 3h2q s LEU 38 Ca 0.00 0.71 -0.29 0.00 -1.03 0.00 0.00 54.13 53.52 3h2q s LEU 38 Cb 0.00 -3.56 -0.10 0.00 0.03 0.00 0.00 46.19 42.57 3h2q s LEU 38 CO 0.00 -0.28 1.10 0.42 0.23 0.00 0.00 176.35 177.82 3h2q s THR 39 N -2.23 3.48 0.12 5.49 -4.23 -1.26 -4.07 115.64 112.93 3h2q s THR 39 Ca 0.44 1.47 -0.35 0.00 -1.18 0.00 0.00 61.69 62.06 3h2q s THR 39 Cb -0.10 -3.92 -0.16 0.00 1.34 0.00 0.00 72.50 69.65 3h2q s THR 39 CO 0.33 0.33 1.29 1.21 -0.54 0.00 0.00 174.62 177.24 3h2q n GLU 40 N 1.09 1.17 0.00 3.99 2.13 -1.26 -4.61 120.64 123.15 3h2q n GLU 40 Ca -0.01 0.42 0.00 0.00 0.66 0.00 0.00 57.16 58.23 3h2q n GLU 40 Cb 0.45 -2.02 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 2.37 0.32 3.77 8.31 0.00 -0.18 -4.93 105.19 114.85 3h2q n GLY 41 Ca 0.17 -2.29 -0.39 0.00 0.00 0.00 0.00 46.02 43.52 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 -0.03 0.99 1.43 -1.26 -1.16 118.68 123.20 3h2q s LEU 42 Ca 0.00 1.74 0.00 0.00 -1.03 0.00 0.00 54.13 54.84 3h2q s LEU 42 Cb 0.00 -3.52 0.03 0.00 0.03 0.00 0.00 46.19 42.72 3h2q s LEU 42 CO 0.00 0.14 0.01 -1.00 0.23 0.00 0.00 176.35 175.72 3h2q s HIS 43 N -1.27 0.28 0.34 0.29 3.76 -0.52 -2.79 115.29 115.38 3h2q s HIS 43 Ca 0.40 0.02 -0.28 0.00 -0.15 0.00 0.00 55.06 55.06 3h2q s HIS 43 Cb -0.23 -0.42 -0.12 0.00 1.11 0.00 0.00 32.58 32.92 3h2q s HIS 43 CO 0.27 -0.14 1.21 0.41 -0.85 0.00 0.00 174.74 175.64 3h2q n GLY 44 N 4.28 0.36 2.80 -2.22 0.00 -0.08 -0.74 105.19 109.59 3h2q n GLY 44 Ca -0.24 0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.10 1.66 0.02 1.61 5.36 -0.38 -0.73 117.98 124.42 3h2q s PHE 45 Ca 0.57 -1.39 0.02 0.00 -0.96 0.00 0.00 56.93 55.16 3h2q s PHE 45 Cb -0.59 -1.41 -0.02 0.00 -0.34 0.00 0.00 43.02 40.66 3h2q s PHE 45 CO 0.61 -0.74 -0.06 -1.01 -1.46 0.00 0.00 175.22 172.57 3h2q s HIS 46 N 1.64 0.50 -0.16 10.12 3.76 -0.70 -1.68 115.29 128.77 3h2q s HIS 46 Ca 0.01 -0.37 -0.20 0.00 -0.15 0.00 0.00 55.06 54.34 3h2q s HIS 46 Cb -0.18 -0.31 -0.03 0.00 1.11 0.00 0.00 32.58 33.17 3h2q s HIS 46 CO -0.12 -0.08 0.59 0.08 -0.85 0.00 0.00 174.74 174.36 3h2q s VAL 47 N -1.00 5.07 0.22 -0.90 1.01 0.29 -0.63 120.40 124.46 3h2q s VAL 47 Ca -0.07 1.14 0.06 0.00 0.00 0.00 0.00 61.98 63.10 3h2q s VAL 47 Cb -0.07 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 3h2q s VAL 47 CO -0.00 0.19 0.24 -1.00 0.00 0.00 0.00 175.10 174.53 3h2q s HIS 48 N 1.42 3.25 0.14 5.22 3.76 0.96 -0.92 115.29 129.12 3h2q s HIS 48 Ca 0.29 -0.04 -0.17 0.00 -0.15 0.00 0.00 55.06 54.98 3h2q s HIS 48 Cb -0.16 -1.50 -0.02 0.00 1.11 0.00 0.00 32.58 32.02 3h2q s HIS 48 CO 0.11 0.50 1.75 1.49 -0.85 0.00 0.00 174.74 177.74 3h2q h GLU 49 N 1.66 0.48 -5.86 1.40 4.81 -0.76 -2.26 114.58 114.05 3h2q h GLU 49 Ca -0.49 -0.05 -0.67 0.00 -0.13 0.00 0.00 59.36 58.01 3h2q h GLU 49 Cb 1.22 -0.10 -0.15 0.00 0.63 0.00 0.00 28.75 30.36 3h2q h GLU 49 CO 0.62 0.38 -0.61 -0.06 -0.73 0.00 0.00 179.01 178.62 3h2q s PHE 50 N -5.92 3.20 -0.79 0.92 0.08 -0.43 -4.65 117.98 110.39 3h2q s PHE 50 Ca -0.13 0.19 -0.05 0.00 0.12 0.00 0.00 56.93 57.06 3h2q s PHE 50 Cb 0.10 -1.83 0.04 0.00 -0.57 0.00 0.00 43.02 40.76 3h2q s PHE 50 CO 0.72 0.45 2.72 0.41 -0.10 0.00 0.00 175.22 179.42 3h2q n GLY 51 N 2.30 4.53 3.08 4.36 0.00 -1.00 -3.68 105.19 114.77 3h2q n GLY 51 Ca -0.19 -1.87 -0.32 0.00 0.00 0.00 0.00 46.02 43.65 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 0.61 4.57 -0.24 1.61 -1.08 -1.26 -4.95 116.67 115.92 3h2q s ASP 52 Ca 0.59 -1.51 0.13 0.00 -0.52 0.00 0.00 52.55 51.23 3h2q s ASP 52 Cb 0.30 -1.59 0.58 0.00 -1.46 0.00 0.00 42.92 40.74 3h2q s ASP 52 CO -0.15 -0.23 1.53 -3.20 0.52 0.00 0.00 175.17 173.63 3h2q n ASN 53 N 4.43 3.74 0.12 -0.34 4.05 -1.26 -2.78 115.26 123.22 3h2q n ASN 53 Ca -0.11 -3.27 0.04 0.00 0.45 0.00 0.00 54.58 51.69 3h2q n ASN 53 Cb 0.42 -0.62 0.44 0.00 1.23 0.00 0.00 39.78 41.26 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 1.78 1.13 -1.37 -0.44 1.35 -1.93 -2.79 112.91 110.65 3h2q h THR 54 Ca 0.12 -0.52 -0.57 0.00 -0.55 0.00 0.00 66.41 64.89 3h2q h THR 54 Cb 1.72 1.03 -0.42 0.00 -1.73 0.00 0.00 68.15 68.75 3h2q h THR 54 CO 0.39 0.17 -0.78 0.00 -0.25 0.00 0.00 175.52 175.06 3h2q n ALA 55 N -2.50 4.93 -0.70 6.62 0.00 -1.26 -5.07 120.51 122.54 3h2q n ALA 55 Ca -0.00 -4.16 0.00 0.00 0.00 0.00 0.00 53.44 49.28 3h2q n ALA 55 Cb 0.19 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 -0.49 0.51 0.24 0.00 0.00 -1.05 -3.13 105.19 101.26 3h2q n GLY 56 Ca 0.38 -0.80 0.16 0.00 0.00 0.00 0.00 46.02 45.75 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 1.13 -0.00 0.00 2.02 -1.88 -2.31 112.91 111.86 3h2q h THR 58 Ca 0.00 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.61 3h2q h THR 58 Cb 0.48 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 3h2q h THR 58 CO 0.00 0.17 -0.01 -1.54 0.37 0.00 0.00 175.52 174.51 3h2q n SER 59 N -4.34 0.43 0.10 4.18 3.41 -1.18 -3.21 113.62 113.01 3h2q n SER 59 Ca -0.02 -1.07 0.10 0.00 -0.26 0.00 0.00 58.87 57.62 3h2q n SER 59 Cb 0.22 -0.01 0.44 0.00 -0.26 0.00 0.00 64.21 64.60 3h2q n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h2q n ALA 60 N -0.70 1.52 -0.23 7.33 0.00 -0.87 -4.47 120.51 123.10 3h2q n ALA 60 Ca 0.22 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.73 3h2q n ALA 60 Cb 0.19 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.31 3h2q n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h2q n GLY 61 N -0.29 -0.75 3.89 0.00 0.00 -1.20 -1.31 105.19 105.52 3h2q n GLY 61 Ca 0.02 -1.16 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 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 2.72 -0.06 1.61 0.04 -1.26 -4.61 135.00 133.44 3h2q s PRO 62 Ca 0.00 0.35 -0.39 0.00 0.04 0.00 0.00 61.00 61.00 3h2q s PRO 62 Cb 0.00 -2.04 -0.19 0.00 0.04 0.00 0.00 34.50 32.31 3h2q s PRO 62 CO 0.00 -1.09 1.10 1.58 0.04 0.00 0.00 177.00 178.63 3h2q n HIS 63 N -3.01 0.75 -2.28 0.56 -0.00 -1.26 -0.62 115.22 109.35 3h2q n HIS 63 Ca 0.07 1.04 -0.42 0.00 0.46 0.00 0.00 57.72 58.86 3h2q n HIS 63 Cb 0.58 -2.04 -0.03 0.00 -0.12 0.00 0.00 29.99 28.38 3h2q n HIS 63 CO 0.00 0.00 0.00 0.12 0.46 0.00 0.00 176.34 176.92 3h2q s PHE 64 N 0.35 3.12 -0.41 1.57 5.36 -0.09 -4.59 117.98 123.30 3h2q s PHE 64 Ca 0.90 1.01 0.03 0.00 -0.96 0.00 0.00 56.93 57.90 3h2q s PHE 64 Cb -1.25 -3.58 0.19 0.00 -0.34 0.00 0.00 43.02 38.03 3h2q s PHE 64 CO 0.58 -2.02 0.78 1.21 -1.46 0.00 0.00 175.22 174.31 3h2q s ASN 65 N 1.45 -1.15 0.55 6.13 2.47 -1.26 -0.40 114.94 122.74 3h2q s ASN 65 Ca 0.62 -0.78 0.30 0.00 0.42 0.00 0.00 52.86 53.41 3h2q s ASN 65 Cb -0.31 1.48 1.62 0.00 -1.45 0.00 0.00 41.25 42.59 3h2q s ASN 65 CO 0.27 -0.10 1.90 -0.65 -3.72 0.00 0.00 177.10 174.80 3h2q h PRO 66 N 6.05 0.00 0.00 0.43 0.11 -1.93 -3.48 132.00 133.19 3h2q h PRO 66 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 3h2q h PRO 66 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3h2q h PRO 66 CO 0.03 0.00 0.00 2.89 -0.21 0.00 0.00 178.00 180.71 3h2q n ARG 79 N -2.69 0.00 -2.15 1.05 1.85 -1.26 -4.99 116.66 108.46 3h2q n ARG 79 Ca -0.02 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.49 3h2q n ARG 79 Cb 0.23 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.65 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 3.27 0.23 2.89 0.52 -1.26 -4.94 118.95 119.66 3h2q s ARG 80 Ca 0.00 1.50 -0.06 0.00 -0.52 0.00 0.00 55.73 56.65 3h2q s ARG 80 Cb 0.00 -2.00 0.38 0.00 0.52 0.00 0.00 34.95 33.85 3h2q s ARG 80 CO 0.00 -0.90 1.77 0.28 0.02 0.00 0.00 175.30 176.47 3h2q h VAL 81 N 0.89 0.80 0.00 3.52 2.07 -1.92 -1.66 116.25 119.95 3h2q h VAL 81 Ca -0.49 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.84 3h2q h VAL 81 Cb 1.25 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3h2q h VAL 81 CO 0.56 0.10 0.00 0.61 0.02 0.00 0.00 177.57 178.87 3h2q n GLY 82 N -1.31 -1.19 3.59 2.17 0.00 0.47 -4.41 105.19 104.51 3h2q n GLY 82 Ca 0.12 -0.13 -0.42 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 -2.57 6.32 -0.22 1.61 -1.08 -0.63 -0.55 116.67 119.54 3h2q s ASP 83 Ca 0.26 0.48 0.15 0.00 -0.52 0.00 0.00 52.55 52.91 3h2q s ASP 83 Cb 0.18 -2.55 0.65 0.00 -1.46 0.00 0.00 42.92 39.74 3h2q s ASP 83 CO 0.42 -1.52 1.57 0.18 0.52 0.00 0.00 175.17 176.34 3h2q n LEU 84 N 8.92 4.73 0.00 -1.34 4.77 -0.68 -4.88 117.00 128.53 3h2q n LEU 84 Ca 0.13 -3.06 0.00 0.00 -0.03 0.00 0.00 56.01 53.06 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 0.71 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 178.08 3h2q n GLY 85 N -0.15 0.43 3.46 -0.72 0.00 -1.23 -4.78 105.19 102.20 3h2q n GLY 85 Ca 0.26 -0.86 -0.23 0.00 0.00 0.00 0.00 46.02 45.19 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 3.25 0.26 1.61 0.01 -1.26 -1.25 114.94 113.57 3h2q s ASN 86 Ca 0.00 -1.13 0.09 0.00 -0.71 0.00 0.00 52.86 51.12 3h2q s ASN 86 Cb 0.00 -0.25 -0.04 0.00 0.41 0.00 0.00 41.25 41.36 3h2q s ASN 86 CO 0.00 -0.17 0.00 0.68 -1.51 0.00 0.00 177.10 176.10 3h2q s VAL 87 N -2.75 3.50 -0.21 1.60 -7.23 0.08 -4.84 120.40 110.55 3h2q s VAL 87 Ca 0.30 -1.89 0.02 0.00 -1.81 0.00 0.00 61.98 58.60 3h2q s VAL 87 Cb 0.00 -2.87 0.04 0.00 0.56 0.00 0.00 36.38 34.11 3h2q s VAL 87 CO 0.13 -0.37 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.50 3h2q s THR 88 N -2.31 2.12 -0.00 5.32 2.01 -1.26 -1.44 115.64 120.07 3h2q s THR 88 Ca 0.31 -1.23 -0.20 0.00 0.31 0.00 0.00 61.69 60.89 3h2q s THR 88 Cb -0.06 -2.04 -0.05 0.00 0.01 0.00 0.00 72.50 70.35 3h2q s THR 88 CO 0.20 0.30 0.57 0.00 -0.69 0.00 0.00 174.62 175.00 3h2q s ALA 89 N 1.21 3.52 0.98 7.40 0.00 -0.31 -4.16 121.76 130.41 3h2q s ALA 89 Ca -0.01 -0.00 -0.11 0.00 0.00 0.00 0.00 51.96 51.84 3h2q s ALA 89 Cb -0.16 -2.69 0.16 0.00 0.00 0.00 0.00 23.12 20.42 3h2q s ALA 89 CO -0.10 0.21 0.93 -0.40 0.00 0.00 0.00 175.76 176.40 3h2q n ASP 90 N 2.59 0.11 0.19 0.00 5.68 0.10 -1.01 116.55 124.20 3h2q n ASP 90 Ca -0.08 -1.36 0.14 0.00 -0.50 0.00 0.00 54.79 52.98 3h2q n ASP 90 Cb 0.51 -0.71 0.67 0.00 -1.14 0.00 0.00 41.12 40.45 3h2q n ASP 90 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3h2q h LYS 91 N 0.00 0.00 -0.01 0.11 2.10 -1.97 0.55 116.57 117.35 3h2q h LYS 91 Ca -0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 3h2q h LYS 91 Cb 0.84 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.17 3h2q h LYS 91 CO 0.22 0.00 -0.13 -0.25 -2.00 0.00 0.00 179.45 177.28 3h2q n ASP 92 N -2.44 1.33 0.00 7.07 8.00 -1.26 -4.87 116.55 124.38 3h2q n ASP 92 Ca -0.01 -1.22 0.00 0.00 0.71 0.00 0.00 54.79 54.27 3h2q n ASP 92 Cb 0.11 0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 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 1.27 0.62 3.56 0.44 0.00 0.19 -4.75 105.19 106.51 3h2q n GLY 93 Ca 0.15 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 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 4.56 -0.32 1.61 1.01 -1.26 -1.80 120.40 122.20 3h2q s VAL 94 Ca 0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 61.98 61.81 3h2q s VAL 94 Cb 0.00 -3.07 0.03 0.00 0.00 0.00 0.00 36.38 33.34 3h2q s VAL 94 CO 0.00 0.42 0.07 0.00 0.00 0.00 0.00 175.10 175.60 3h2q s ALA 95 N 0.77 3.00 -0.15 5.51 0.00 0.11 -0.72 121.76 130.27 3h2q s ALA 95 Ca 0.03 -1.65 -0.26 0.00 0.00 0.00 0.00 51.96 50.08 3h2q s ALA 95 Cb -0.14 -2.16 -0.02 0.00 0.00 0.00 0.00 23.12 20.81 3h2q s ALA 95 CO 0.02 -1.19 0.84 -0.51 0.00 0.00 0.00 175.76 174.92 3h2q s ASP 96 N 1.40 6.99 -0.16 0.00 1.01 -1.26 -1.01 116.67 123.64 3h2q s ASP 96 Ca -0.01 1.22 -0.03 0.00 0.71 0.00 0.00 52.55 54.43 3h2q s ASP 96 Cb -0.19 -2.46 -0.03 0.00 1.01 0.00 0.00 42.92 41.26 3h2q s ASP 96 CO 0.02 -0.37 -0.04 -0.69 0.21 0.00 0.00 175.17 174.29 3h2q s VAL 97 N 1.99 3.80 -0.28 -1.27 1.01 0.13 -4.80 120.40 120.98 3h2q s VAL 97 Ca 0.39 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.99 3h2q s VAL 97 Cb -0.17 -2.67 0.15 0.00 0.00 0.00 0.00 36.38 33.70 3h2q s VAL 97 CO 0.14 0.49 0.41 -0.55 0.00 0.00 0.00 175.10 175.58 3h2q s SER 98 N 0.44 0.27 0.05 3.32 0.15 -1.25 -1.53 113.70 115.15 3h2q s SER 98 Ca -0.04 -0.16 0.04 0.00 0.70 0.00 0.00 55.95 56.48 3h2q s SER 98 Cb -0.14 1.15 -0.02 0.00 -1.71 0.00 0.00 66.02 65.30 3h2q s SER 98 CO 0.03 -0.34 -0.11 -0.63 1.20 0.00 0.00 173.24 173.39 3h2q s ILE 99 N 2.56 0.85 -0.09 6.45 1.01 0.39 -5.00 121.20 127.37 3h2q s ILE 99 Ca 0.11 -1.07 0.03 0.00 0.00 0.00 0.00 60.65 59.72 3h2q s ILE 99 Cb -0.13 -0.84 0.00 0.00 0.01 0.00 0.00 42.46 41.51 3h2q s ILE 99 CO -0.26 -0.20 -0.20 -0.70 0.00 0.00 0.00 174.94 173.57 3h2q s GLU 100 N -1.43 2.63 -0.04 2.79 2.12 -1.26 -0.51 118.70 123.00 3h2q s GLU 100 Ca -0.04 -0.74 0.00 0.00 0.36 0.00 0.00 54.97 54.56 3h2q s GLU 100 Cb -0.09 -2.02 0.02 0.00 0.26 0.00 0.00 34.13 32.30 3h2q s GLU 100 CO 0.01 0.13 -0.02 0.34 -0.54 0.00 0.00 175.26 175.19 3h2q s ASP 101 N 0.44 0.80 0.00 -1.70 -1.08 -0.49 -4.96 116.67 109.67 3h2q s ASP 101 Ca -0.18 -0.08 0.24 0.00 -0.52 0.00 0.00 52.55 52.02 3h2q s ASP 101 Cb -0.17 -0.35 0.38 0.00 -1.46 0.00 0.00 42.92 41.32 3h2q s ASP 101 CO 0.07 -0.09 1.37 -1.20 0.52 0.00 0.00 175.17 175.84 3h2q n SER 102 N 4.22 2.95 -0.12 -0.34 7.64 -1.26 -0.92 113.62 125.80 3h2q n SER 102 Ca -0.23 -1.94 -0.22 0.00 1.01 0.00 0.00 58.87 57.49 3h2q n SER 102 Cb 0.51 -0.09 -0.11 0.00 -1.01 0.00 0.00 64.21 63.50 3h2q n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3h2q n VAL 103 N 1.24 1.52 -1.32 0.44 0.31 -1.26 -4.86 118.33 114.40 3h2q n VAL 103 Ca 0.16 -0.50 -0.32 0.00 -0.01 0.00 0.00 64.34 63.68 3h2q n VAL 103 Cb 0.57 -1.61 0.09 0.00 -0.91 0.00 0.00 33.84 31.98 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 -2.51 3.11 0.12 2.52 -4.36 -1.26 -4.86 121.20 113.96 3h2q s ILE 104 Ca -0.35 0.40 -0.06 0.00 -0.26 0.00 0.00 60.65 60.38 3h2q s ILE 104 Cb 0.11 -2.85 -0.02 0.00 1.25 0.00 0.00 42.46 40.95 3h2q s ILE 104 CO 0.57 -0.43 0.17 -0.55 0.24 0.00 0.00 174.94 174.95 3h2q s SER 105 N -3.05 0.17 -0.14 4.36 0.15 -0.89 -4.60 113.70 109.69 3h2q s SER 105 Ca 0.64 -0.91 0.16 0.00 0.70 0.00 0.00 55.95 56.54 3h2q s SER 105 Cb -0.19 0.35 0.59 0.00 -1.71 0.00 0.00 66.02 65.07 3h2q s SER 105 CO 0.52 -0.78 1.51 0.18 1.20 0.00 0.00 173.24 175.87 3h2q n LEU 106 N -0.11 4.28 -3.72 3.45 4.77 -1.26 -1.18 117.00 123.23 3h2q n LEU 106 Ca -0.10 -2.69 -0.06 0.00 -0.03 0.00 0.00 56.01 53.13 3h2q n LEU 106 Cb 0.63 -0.53 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 3h2q n LEU 106 CO 0.26 0.71 0.58 -0.94 -1.33 0.00 0.00 177.39 176.67 3h2q s SER 107 N -1.31 -0.28 0.31 -1.43 1.04 -1.26 -4.82 113.70 105.94 3h2q s SER 107 Ca 0.43 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.48 3h2q s SER 107 Cb 0.31 0.58 0.00 0.00 0.10 0.00 0.00 66.02 67.02 3h2q s SER 107 CO 0.15 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 173.93 3h2q n GLY 108 N -0.43 -0.86 0.24 7.32 0.00 -1.26 -3.49 105.19 106.71 3h2q n GLY 108 Ca -0.07 -1.18 0.06 0.00 0.00 0.00 0.00 46.02 44.83 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 0.00 0.05 -0.65 1.61 3.32 -2.01 -1.99 116.42 116.75 3h2q h ASP 109 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3h2q h ASP 109 Cb 0.00 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3h2q h ASP 109 CO 0.00 0.16 0.00 1.41 -1.72 0.00 0.00 179.24 179.09 3h2q n HIS 110 N -4.39 1.23 -1.80 4.55 8.25 -1.26 -4.91 115.22 116.90 3h2q n HIS 110 Ca -0.02 -0.53 -0.42 0.00 -0.26 0.00 0.00 57.72 56.50 3h2q n HIS 110 Cb 0.19 -0.14 -0.03 0.00 1.12 0.00 0.00 29.99 31.13 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 3.33 0.12 -2.00 0.00 -5.35 -0.32 -4.91 119.36 110.23 3h2q n ILE 112 Ca 0.13 -0.56 -0.42 0.00 -0.27 0.00 0.00 62.75 61.63 3h2q n ILE 112 Cb 0.37 1.21 -0.03 0.00 -1.74 0.00 0.00 39.64 39.45 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 -1.20 2.70 0.00 7.28 1.01 -1.26 -1.53 121.20 128.19 3h2q s ILE 113 Ca 0.19 0.55 0.00 0.00 0.00 0.00 0.00 60.65 61.38 3h2q s ILE 113 Cb 0.13 -3.35 0.00 0.00 0.01 0.00 0.00 42.46 39.25 3h2q s ILE 113 CO 0.19 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.80 3h2q n GLY 114 N 2.87 0.85 1.97 6.18 0.00 0.90 -5.00 105.19 112.96 3h2q n GLY 114 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.14 0.86 -4.85 1.61 1.74 -0.58 -2.39 116.66 110.91 3h2q n ARG 115 Ca 0.00 -1.62 -0.33 0.00 -0.77 0.00 0.00 57.85 55.13 3h2q n ARG 115 Cb 0.00 -0.05 -0.14 0.00 -1.02 0.00 0.00 32.46 31.24 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 -0.95 2.95 -0.09 0.55 2.01 -0.85 -0.64 115.64 118.62 3h2q s THR 116 Ca 0.28 -0.71 -0.15 0.00 0.31 0.00 0.00 61.69 61.41 3h2q s THR 116 Cb -0.02 -2.21 -0.05 0.00 0.01 0.00 0.00 72.50 70.23 3h2q s THR 116 CO 0.18 0.54 0.39 -0.22 -0.69 0.00 0.00 174.62 174.82 3h2q s LEU 117 N 0.07 4.33 -0.03 4.42 2.96 -0.30 -0.03 118.68 130.12 3h2q s LEU 117 Ca -0.06 0.76 0.04 0.00 -0.22 0.00 0.00 54.13 54.65 3h2q s LEU 117 Cb -0.15 -2.54 -0.01 0.00 0.50 0.00 0.00 46.19 44.00 3h2q s LEU 117 CO 0.05 0.15 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.38 3h2q s VAL 118 N -0.03 1.23 -0.17 1.68 1.01 0.20 -1.99 120.40 122.33 3h2q s VAL 118 Ca 0.22 -0.64 -0.04 0.00 0.00 0.00 0.00 61.98 61.53 3h2q s VAL 118 Cb -0.15 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 3h2q s VAL 118 CO 0.09 0.36 -0.04 0.54 0.00 0.00 0.00 175.10 176.05 3h2q s VAL 119 N -0.12 3.78 0.41 2.92 0.11 -0.65 -1.72 120.40 125.13 3h2q s VAL 119 Ca 0.01 -0.39 -0.01 0.00 -2.93 0.00 0.00 61.98 58.66 3h2q s VAL 119 Cb -0.08 -2.67 -0.02 0.00 -1.53 0.00 0.00 36.38 32.07 3h2q s VAL 119 CO 0.01 0.47 0.65 -1.00 -3.33 0.00 0.00 175.10 171.89 3h2q s HIS 120 N 0.65 3.42 0.14 1.54 3.76 0.09 -1.16 115.29 123.72 3h2q s HIS 120 Ca -0.02 0.42 -0.14 0.00 -0.15 0.00 0.00 55.06 55.16 3h2q s HIS 120 Cb -0.14 -2.13 0.01 0.00 1.11 0.00 0.00 32.58 31.42 3h2q s HIS 120 CO 0.02 -0.14 1.64 1.49 -0.85 0.00 0.00 174.74 176.90 3h2q h GLU 121 N 0.50 0.71 -5.99 1.40 4.81 -0.55 -3.37 114.58 112.09 3h2q h GLU 121 Ca -0.48 -0.17 -0.55 0.00 -0.13 0.00 0.00 59.36 58.03 3h2q h GLU 121 Cb 1.23 -0.09 -0.08 0.00 0.63 0.00 0.00 28.75 30.44 3h2q h GLU 121 CO 0.60 0.71 -0.50 0.15 -0.73 0.00 0.00 179.01 179.24 3h2q s LYS 122 N -5.29 2.29 0.32 1.92 1.02 -0.21 -4.86 119.74 114.92 3h2q s LYS 122 Ca -0.13 -1.73 -0.29 0.00 0.02 0.00 0.00 55.97 53.85 3h2q s LYS 122 Cb 0.11 -2.07 -0.10 0.00 -0.52 0.00 0.00 37.83 35.25 3h2q s LYS 122 CO 0.78 -0.05 1.22 0.00 -0.92 0.00 0.00 175.35 176.38 3h2q s ALA 123 N -2.53 3.43 -0.20 5.17 0.00 -1.12 -0.91 121.76 125.60 3h2q s ALA 123 Ca 0.41 1.10 -0.24 0.00 0.00 0.00 0.00 51.96 53.22 3h2q s ALA 123 Cb 0.01 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 3h2q s ALA 123 CO 0.23 -0.45 0.79 0.34 0.00 0.00 0.00 175.76 176.67 3h2q s ASP 124 N -0.70 6.85 0.00 0.00 -1.08 -1.26 -4.40 116.67 116.08 3h2q s ASP 124 Ca 0.48 1.05 0.23 0.00 -0.52 0.00 0.00 52.55 53.79 3h2q s ASP 124 Cb -0.36 -2.43 1.37 0.00 -1.46 0.00 0.00 42.92 40.04 3h2q s ASP 124 CO 0.47 -0.41 1.83 -0.90 0.52 0.00 0.00 175.17 176.67 3h2q n ASP 125 N 5.47 0.00 -1.73 -0.34 5.68 -1.26 -4.87 116.55 119.51 3h2q n ASP 125 Ca 0.04 -1.10 -0.16 0.00 -0.50 0.00 0.00 54.79 53.06 3h2q n ASP 125 Cb 0.48 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.41 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 -0.89 -1.29 -0.08 -2.12 4.77 -1.26 -0.43 117.00 115.70 3h2q n LEU 126 Ca 0.17 0.32 -0.01 0.00 -0.03 0.00 0.00 56.01 56.47 3h2q n LEU 126 Cb 0.08 -2.41 -0.00 0.00 -2.33 0.00 0.00 43.42 38.75 3h2q n LEU 126 CO 0.13 -0.68 -0.01 0.61 -1.33 0.00 0.00 177.39 176.11 3h2q n GLY 127 N -0.47 0.46 2.40 -0.72 0.00 -1.26 -4.91 105.19 100.70 3h2q n GLY 127 Ca -0.17 -0.18 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.26 3.12 0.00 1.61 5.02 0.43 -4.78 118.16 121.30 3h2q n LYS 128 Ca -0.01 -4.22 0.14 0.00 -2.02 0.00 0.00 58.31 52.20 3h2q n LYS 128 Cb 0.12 -2.10 0.43 0.00 -0.02 0.00 0.00 35.03 33.46 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 -0.50 0.13 0.89 0.72 0.00 -1.25 -4.96 105.19 100.22 3h2q n GLY 129 Ca 0.35 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 1.22 0.75 2.02 -0.02 0.00 -1.26 -5.17 105.19 102.74 3h2q n GLY 130 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3h2q n GLY 130 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3h2q n ASN 131 N 0.00 -0.38 -1.88 1.61 2.85 -1.26 -5.30 115.26 110.90 3h2q n ASN 131 Ca 0.00 0.10 0.02 0.00 -0.11 0.00 0.00 54.58 54.60 3h2q n ASN 131 Cb 0.00 0.63 0.04 0.00 1.24 0.00 0.00 39.78 41.68 3h2q n ASN 131 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3h2q n ALA 140 N -2.63 2.54 -0.84 5.20 0.00 -1.26 -5.13 120.51 118.39 3h2q n ALA 140 Ca 0.00 -2.54 0.00 0.00 0.00 0.00 0.00 53.44 50.90 3h2q n ALA 140 Cb 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 18.69 3h2q n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h2q n GLY 141 N 0.07 0.89 3.60 0.00 0.00 -1.26 -1.04 105.19 107.44 3h2q n GLY 141 Ca 0.08 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 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 2.06 -0.43 1.61 1.04 -1.26 -4.49 113.70 108.24 3h2q s SER 142 Ca 0.00 1.60 -0.16 0.00 0.48 0.00 0.00 55.95 57.86 3h2q s SER 142 Cb 0.00 -2.27 0.03 0.00 0.10 0.00 0.00 66.02 63.88 3h2q s SER 142 CO 0.00 -3.54 0.39 -0.13 0.98 0.00 0.00 173.24 170.94 3h2q s ARG 143 N -4.66 3.04 0.10 4.02 0.52 -1.26 -0.42 118.95 120.28 3h2q s ARG 143 Ca 0.67 -0.94 -0.07 0.00 -0.52 0.00 0.00 55.73 54.87 3h2q s ARG 143 Cb -0.22 -4.00 -0.17 0.00 0.52 0.00 0.00 34.95 31.08 3h2q s ARG 143 CO 0.61 -0.86 1.24 -0.07 0.02 0.00 0.00 175.30 176.24 3h2q h LEU 144 N 8.90 0.61 -7.00 2.53 3.38 -1.44 -3.47 115.31 118.83 3h2q h LEU 144 Ca -0.27 -0.52 -0.03 0.00 0.09 0.00 0.00 57.88 57.15 3h2q h LEU 144 Cb 1.11 -0.19 -0.18 0.00 0.09 0.00 0.00 40.66 41.49 3h2q h LEU 144 CO 0.79 1.34 0.24 0.00 0.09 0.00 0.00 178.44 180.90 3h2q s ALA 145 N -3.14 -1.77 0.28 1.53 0.00 -1.19 -4.06 121.76 113.41 3h2q s ALA 145 Ca -0.06 1.22 -0.19 0.00 0.00 0.00 0.00 51.96 52.93 3h2q s ALA 145 Cb 0.08 0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.27 3h2q s ALA 145 CO 0.89 -0.43 0.66 0.00 0.00 0.00 0.00 175.76 176.88 3h2q s GLY 147 N -2.95 -0.49 0.17 0.00 0.00 -0.84 -1.82 107.32 101.38 3h2q s GLY 147 Ca 0.14 1.04 -0.30 0.00 0.00 0.00 0.00 44.72 45.60 3h2q s GLY 147 CO 0.08 0.42 0.94 0.14 0.00 0.00 0.00 173.10 174.68 3h2q s VAL 148 N -2.88 4.32 -0.17 1.40 1.01 -1.26 -1.15 120.40 121.67 3h2q s VAL 148 Ca 0.02 2.05 -0.27 0.00 0.00 0.00 0.00 61.98 63.78 3h2q s VAL 148 Cb -0.01 -4.31 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 3h2q s VAL 148 CO -0.07 0.40 0.92 -0.63 0.00 0.00 0.00 175.10 175.73 3h2q s ILE 149 N -0.54 4.81 0.28 2.22 1.01 0.19 -4.54 121.20 124.62 3h2q s ILE 149 Ca 0.44 1.83 0.09 0.00 0.00 0.00 0.00 60.65 63.01 3h2q s ILE 149 Cb -0.24 -4.22 -0.05 0.00 0.01 0.00 0.00 42.46 37.95 3h2q s ILE 149 CO 0.30 -0.03 -0.14 -0.83 0.00 0.00 0.00 174.94 174.25 3h2q s GLY 150 N 1.16 1.84 0.20 6.18 0.00 -0.25 -0.07 107.32 116.38 3h2q s GLY 150 Ca 0.42 -1.88 -0.30 0.00 0.00 0.00 0.00 44.72 42.95 3h2q s GLY 150 CO 0.12 -1.91 1.35 -0.42 0.00 0.00 0.00 173.10 172.24 3h2q s ILE 151 N -2.73 3.09 0.21 0.90 1.01 -1.26 -1.10 121.20 121.32 3h2q s ILE 151 Ca 0.29 0.89 0.11 0.00 0.00 0.00 0.00 60.65 61.94 3h2q s ILE 151 Cb -0.01 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.85 3h2q s ILE 151 CO 0.13 0.13 -0.22 0.00 0.00 0.00 0.00 174.94 174.97 3h2q s ALA 152 N 0.21 2.60 -2.00 9.38 0.00 -0.61 -4.77 121.76 126.57 3h2q s ALA 152 Ca 0.58 -1.69 0.21 0.00 0.00 0.00 0.00 51.96 51.07 3h2q s ALA 152 Cb -0.38 -0.34 1.26 0.00 0.00 0.00 0.00 23.12 23.67 3h2q s ALA 152 CO 0.38 0.40 1.64 0.94 0.00 0.00 0.00 175.76 179.12