#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pu0 s THR 2 N 0.00 4.96 0.00 0.00 2.01 -0.09 -4.93 115.64 117.59 1pu0 s THR 2 Ca 0.00 0.56 0.05 0.00 0.31 0.00 0.00 61.69 62.60 1pu0 s THR 2 Cb 0.00 -3.66 -0.01 0.00 0.01 0.00 0.00 72.50 68.83 1pu0 s THR 2 CO 0.00 0.12 -0.14 -0.54 -0.69 0.00 0.00 174.62 173.37 1pu0 s LYS 3 N -2.31 1.11 0.20 4.92 1.02 -1.26 -0.99 119.74 122.43 1pu0 s LYS 3 Ca 0.40 -0.57 -0.00 0.00 0.02 0.00 0.00 55.97 55.83 1pu0 s LYS 3 Cb -0.13 -1.08 -0.04 0.00 -0.52 0.00 0.00 37.83 36.05 1pu0 s LYS 3 CO 0.20 0.29 0.09 0.00 -0.92 0.00 0.00 175.35 175.02 1pu0 s ALA 4 N -0.45 1.31 -0.05 5.17 0.00 -0.67 -0.92 121.76 126.16 1pu0 s ALA 4 Ca 0.05 -1.70 -0.31 0.00 0.00 0.00 0.00 51.96 50.00 1pu0 s ALA 4 Cb -0.06 1.11 0.07 0.00 0.00 0.00 0.00 23.12 24.24 1pu0 s ALA 4 CO -0.00 -0.50 0.67 0.54 0.00 0.00 0.00 175.76 176.46 1pu0 s VAL 5 N -3.96 0.00 -0.06 0.00 0.11 -0.16 -1.44 120.40 114.87 1pu0 s VAL 5 Ca 0.35 -0.01 -0.03 0.00 -2.93 0.00 0.00 61.98 59.36 1pu0 s VAL 5 Cb 0.07 -0.99 0.04 0.00 -1.53 0.00 0.00 36.38 33.97 1pu0 s VAL 5 CO 0.10 -0.01 0.14 0.00 -3.33 0.00 0.00 175.10 172.00 1pu0 s VAL 7 N 1.31 4.92 -0.13 0.00 1.01 -1.26 -0.51 120.40 125.74 1pu0 s VAL 7 Ca -0.08 -0.22 -0.15 0.00 0.00 0.00 0.00 61.98 61.53 1pu0 s VAL 7 Cb -0.12 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 1pu0 s VAL 7 CO -0.06 0.10 0.37 -0.76 0.00 0.00 0.00 175.10 174.76 1pu0 s LEU 8 N 1.67 4.28 0.02 3.92 1.43 0.39 -4.00 118.68 126.39 1pu0 s LEU 8 Ca 0.06 0.67 -0.05 0.00 -1.03 0.00 0.00 54.13 53.78 1pu0 s LEU 8 Cb -0.17 -2.51 -0.01 0.00 0.03 0.00 0.00 46.19 43.53 1pu0 s LEU 8 CO 0.08 0.09 0.08 -0.54 0.23 0.00 0.00 176.35 176.29 1pu0 s LYS 9 N 0.35 0.49 0.00 1.70 -0.14 -0.58 -2.11 119.74 119.45 1pu0 s LYS 9 Ca 0.21 -0.61 0.00 0.00 -1.36 0.00 0.00 55.97 54.21 1pu0 s LYS 9 Cb -0.14 0.19 0.00 0.00 -1.68 0.00 0.00 37.83 36.20 1pu0 s LYS 9 CO 0.07 -0.11 0.00 0.41 -0.76 0.00 0.00 175.35 174.96 1pu0 n GLY 10 N 1.18 3.92 0.07 -3.33 0.00 -1.24 -1.41 105.19 104.39 1pu0 n GLY 10 Ca -0.21 -1.16 -0.03 0.00 0.00 0.00 0.00 46.02 44.62 1pu0 n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pu0 h ASP 11 N 0.00 -0.20 0.00 1.61 5.19 -1.92 -3.47 116.42 117.63 1pu0 h ASP 11 Ca 0.00 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 1pu0 h ASP 11 Cb 0.00 0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.58 1pu0 h ASP 11 CO 0.00 -0.10 0.00 0.61 -3.12 0.00 0.00 179.24 176.63 1pu0 n GLY 12 N -1.08 -0.67 0.00 2.75 0.00 -1.26 -4.93 105.19 100.00 1pu0 n GLY 12 Ca -0.02 -1.43 0.14 0.00 0.00 0.00 0.00 46.02 44.71 1pu0 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1pu0 n PRO 13 N 0.00 0.48 -2.42 1.61 -0.04 -1.26 -4.86 135.00 128.51 1pu0 n PRO 13 Ca 0.00 0.01 -0.42 0.00 -0.04 0.00 0.00 63.50 63.05 1pu0 n PRO 13 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 1pu0 n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1pu0 s VAL 14 N -2.50 4.15 0.20 0.52 1.01 -1.26 -4.42 120.40 118.11 1pu0 s VAL 14 Ca 0.30 1.49 -0.19 0.00 0.00 0.00 0.00 61.98 63.58 1pu0 s VAL 14 Cb 0.19 -3.96 0.03 0.00 0.00 0.00 0.00 36.38 32.65 1pu0 s VAL 14 CO 0.43 0.00 0.56 0.00 0.00 0.00 0.00 175.10 176.09 1pu0 s GLN 15 N 2.20 1.42 0.00 2.72 -2.07 -0.62 -3.67 119.66 119.64 1pu0 s GLN 15 Ca 0.57 -0.82 0.00 0.00 -1.82 0.00 0.00 55.36 53.29 1pu0 s GLN 15 Cb -0.26 0.54 0.00 0.00 -1.09 0.00 0.00 33.01 32.20 1pu0 s GLN 15 CO 0.23 -0.61 0.00 0.41 -1.32 0.00 0.00 175.29 174.00 1pu0 n GLY 16 N -0.36 -1.57 2.95 2.60 0.00 -0.90 0.54 105.19 108.46 1pu0 n GLY 16 Ca -0.10 -1.06 -0.20 0.00 0.00 0.00 0.00 46.02 44.65 1pu0 n GLY 16 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pu0 s ILE 17 N -2.29 0.69 -0.08 -0.61 1.01 -0.34 -0.46 121.20 119.12 1pu0 s ILE 17 Ca 0.00 -0.26 0.02 0.00 0.00 0.00 0.00 60.65 60.41 1pu0 s ILE 17 Cb 0.00 -0.65 0.01 0.00 0.01 0.00 0.00 42.46 41.83 1pu0 s ILE 17 CO 0.00 0.24 -0.13 -0.63 0.00 0.00 0.00 174.94 174.42 1pu0 s ILE 18 N 0.54 1.24 0.09 2.92 -1.09 0.33 -1.88 121.20 123.35 1pu0 s ILE 18 Ca -0.08 -0.52 0.02 0.00 -2.23 0.00 0.00 60.65 57.84 1pu0 s ILE 18 Cb -0.12 -1.14 -0.04 0.00 -1.58 0.00 0.00 42.46 39.59 1pu0 s ILE 18 CO 0.01 0.38 0.14 0.20 -1.23 0.00 0.00 174.94 174.44 1pu0 s ASN 19 N 0.80 5.87 -0.01 3.58 0.01 0.22 -0.35 114.94 125.06 1pu0 s ASN 19 Ca -0.12 0.09 0.04 0.00 -0.71 0.00 0.00 52.86 52.16 1pu0 s ASN 19 Cb -0.15 -1.67 -0.01 0.00 0.41 0.00 0.00 41.25 39.82 1pu0 s ASN 19 CO 0.02 0.15 -0.13 -0.36 -1.51 0.00 0.00 177.10 175.27 1pu0 s PHE 20 N -1.49 1.21 -0.01 2.20 0.08 -0.52 -0.87 117.98 118.57 1pu0 s PHE 20 Ca 0.32 -0.24 0.00 0.00 0.12 0.00 0.00 56.93 57.13 1pu0 s PHE 20 Cb -0.12 -0.78 0.02 0.00 -0.57 0.00 0.00 43.02 41.56 1pu0 s PHE 20 CO 0.25 -0.03 0.02 -2.00 -0.10 0.00 0.00 175.22 173.35 1pu0 s GLU 21 N -0.27 -0.02 -0.20 0.44 2.12 -0.28 -1.67 118.70 118.83 1pu0 s GLU 21 Ca 0.04 0.12 -0.02 0.00 0.36 0.00 0.00 54.97 55.47 1pu0 s GLU 21 Cb -0.06 -0.17 0.06 0.00 0.26 0.00 0.00 34.13 34.23 1pu0 s GLU 21 CO -0.00 -0.11 0.03 -1.14 -0.54 0.00 0.00 175.26 173.49 1pu0 s GLN 22 N 0.71 0.76 0.09 4.30 0.74 -0.16 -1.26 119.66 124.83 1pu0 s GLN 22 Ca -0.06 -0.48 -0.13 0.00 0.05 0.00 0.00 55.36 54.74 1pu0 s GLN 22 Cb -0.09 -2.15 -0.19 0.00 1.10 0.00 0.00 33.01 31.68 1pu0 s GLN 22 CO -0.02 -0.63 1.25 0.87 -0.55 0.00 0.00 175.29 176.21 1pu0 h LYS 23 N 8.21 0.76 -5.91 1.67 6.56 -1.83 -0.21 116.57 125.82 1pu0 h LYS 23 Ca -0.16 -0.70 -0.68 0.00 -1.06 0.00 0.00 60.65 58.05 1pu0 h LYS 23 Cb 1.12 0.17 -0.15 0.00 -0.57 0.00 0.00 32.23 32.80 1pu0 h LYS 23 CO 0.34 1.29 -0.61 -1.21 -2.06 0.00 0.00 179.45 177.20 1pu0 s GLU 24 N -3.56 3.06 0.21 3.15 2.02 -1.26 -3.52 118.70 118.79 1pu0 s GLU 24 Ca -0.10 -0.39 -0.19 0.00 0.02 0.00 0.00 54.97 54.31 1pu0 s GLU 24 Cb 0.08 -2.83 0.18 0.00 0.10 0.00 0.00 34.13 31.65 1pu0 s GLU 24 CO 0.91 0.68 1.57 0.77 0.02 0.00 0.00 175.26 179.22 1pu0 h SER 25 N 5.25 -1.24 -0.36 -0.19 0.02 -1.98 0.21 113.55 115.25 1pu0 h SER 25 Ca -0.50 0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 60.69 1pu0 h SER 25 Cb 1.19 0.64 -0.01 0.00 0.14 0.00 0.00 62.40 64.36 1pu0 h SER 25 CO 0.55 -0.30 0.01 0.59 -1.14 0.00 0.00 176.83 176.54 1pu0 n ASN 26 N -5.45 4.33 -4.43 3.07 4.13 -1.26 -4.84 115.26 110.81 1pu0 n ASN 26 Ca 0.07 -3.04 -0.27 0.00 1.68 0.00 0.00 54.58 53.02 1pu0 n ASN 26 Cb 0.37 -0.59 0.14 0.00 -1.54 0.00 0.00 39.78 38.17 1pu0 n ASN 26 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1pu0 s GLY 27 N -1.65 1.76 0.84 7.41 0.00 0.06 -5.05 107.32 110.69 1pu0 s GLY 27 Ca 0.46 -1.33 -0.12 0.00 0.00 0.00 0.00 44.72 43.73 1pu0 s GLY 27 CO 0.10 -0.67 1.18 2.56 0.00 0.00 0.00 173.10 176.27 1pu0 s PRO 28 N -5.56 1.44 -0.12 2.90 0.04 -1.26 -4.87 135.00 127.56 1pu0 s PRO 28 Ca 0.69 1.66 0.01 0.00 0.04 0.00 0.00 61.00 63.41 1pu0 s PRO 28 Cb -0.05 -1.76 -0.01 0.00 0.04 0.00 0.00 34.50 32.71 1pu0 s PRO 28 CO 0.49 -2.34 -0.17 0.08 0.04 0.00 0.00 177.00 175.10 1pu0 s VAL 29 N -2.36 2.69 0.00 -0.36 1.01 0.32 -4.38 120.40 117.32 1pu0 s VAL 29 Ca 0.70 -0.79 -0.20 0.00 0.00 0.00 0.00 61.98 61.69 1pu0 s VAL 29 Cb -0.26 -2.10 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 1pu0 s VAL 29 CO 0.53 0.54 0.59 -0.54 0.00 0.00 0.00 175.10 176.22 1pu0 s LYS 30 N 0.35 4.30 -0.17 2.72 1.02 -0.39 -1.20 119.74 126.38 1pu0 s LYS 30 Ca -0.14 0.74 0.00 0.00 0.02 0.00 0.00 55.97 56.59 1pu0 s LYS 30 Cb -0.17 -3.33 0.03 0.00 -0.52 0.00 0.00 37.83 33.85 1pu0 s LYS 30 CO 0.07 0.40 -0.11 0.08 -0.92 0.00 0.00 175.35 174.87 1pu0 s VAL 31 N -0.29 1.49 0.09 3.17 1.01 0.16 -1.12 120.40 124.91 1pu0 s VAL 31 Ca 0.31 -0.77 -0.16 0.00 0.00 0.00 0.00 61.98 61.35 1pu0 s VAL 31 Cb -0.18 -1.52 0.03 0.00 0.00 0.00 0.00 36.38 34.71 1pu0 s VAL 31 CO 0.17 0.27 0.38 -1.66 0.00 0.00 0.00 175.10 174.27 1pu0 s TRP 32 N 1.49 -0.19 -4.69 5.22 -2.14 -0.05 -0.95 118.94 117.63 1pu0 s TRP 32 Ca 0.02 -0.03 0.00 0.00 2.66 0.00 0.00 56.10 58.74 1pu0 s TRP 32 Cb -0.15 0.21 0.00 0.00 -3.10 0.00 0.00 33.47 30.44 1pu0 s TRP 32 CO -0.09 -0.64 0.00 0.41 -2.66 0.00 0.00 176.95 173.97 1pu0 n GLY 33 N 0.07 -0.28 3.22 3.67 0.00 -0.90 0.72 105.19 111.69 1pu0 n GLY 33 Ca -0.17 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 44.82 1pu0 n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pu0 s SER 34 N -4.00 -0.20 -0.03 1.61 0.15 -0.79 -0.15 113.70 110.30 1pu0 s SER 34 Ca 0.00 0.17 0.04 0.00 0.70 0.00 0.00 55.95 56.86 1pu0 s SER 34 Cb 0.00 0.37 -0.00 0.00 -1.71 0.00 0.00 66.02 64.68 1pu0 s SER 34 CO 0.00 -0.36 -0.13 -0.63 1.20 0.00 0.00 173.24 173.31 1pu0 s ILE 35 N -1.00 1.10 0.34 6.45 1.01 0.36 -1.19 121.20 128.26 1pu0 s ILE 35 Ca -0.11 -0.55 0.07 0.00 0.00 0.00 0.00 60.65 60.05 1pu0 s ILE 35 Cb -0.05 -0.94 -0.07 0.00 0.01 0.00 0.00 42.46 41.41 1pu0 s ILE 35 CO 0.03 0.32 -0.02 -1.59 0.00 0.00 0.00 174.94 173.69 1pu0 s LYS 36 N -0.02 1.74 0.00 2.79 -2.85 0.19 0.66 119.74 122.24 1pu0 s LYS 36 Ca -0.01 -1.93 0.00 0.00 -1.00 0.00 0.00 55.97 53.03 1pu0 s LYS 36 Cb -0.09 -1.31 0.00 0.00 -2.06 0.00 0.00 37.83 34.37 1pu0 s LYS 36 CO 0.01 -0.02 0.00 0.41 0.10 0.00 0.00 175.35 175.84 1pu0 n GLY 37 N -0.75 0.57 3.89 0.59 0.00 -0.90 -1.60 105.19 106.99 1pu0 n GLY 37 Ca -0.04 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 1pu0 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pu0 s LEU 38 N 0.00 3.62 0.47 0.99 1.43 -0.70 -4.35 118.68 120.14 1pu0 s LEU 38 Ca 0.00 1.10 -0.20 0.00 -1.03 0.00 0.00 54.13 54.00 1pu0 s LEU 38 Cb 0.00 -4.05 -0.09 0.00 0.03 0.00 0.00 46.19 42.08 1pu0 s LEU 38 CO 0.00 -0.58 1.00 0.42 0.23 0.00 0.00 176.35 177.42 1pu0 s THR 39 N -2.71 4.10 0.29 5.49 -4.23 -1.26 -4.23 115.64 113.10 1pu0 s THR 39 Ca 0.50 1.26 -0.30 0.00 -1.18 0.00 0.00 61.69 61.97 1pu0 s THR 39 Cb -0.10 -3.53 -0.13 0.00 1.34 0.00 0.00 72.50 70.08 1pu0 s THR 39 CO 0.42 -0.33 1.43 1.21 -0.54 0.00 0.00 174.62 176.81 1pu0 n GLU 40 N -0.96 2.27 0.00 3.99 2.13 -1.26 -4.64 120.64 122.17 1pu0 n GLU 40 Ca 0.08 0.80 0.00 0.00 0.66 0.00 0.00 57.16 58.70 1pu0 n GLU 40 Cb 0.53 -2.48 0.00 0.00 0.27 0.00 0.00 31.44 29.77 1pu0 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pu0 n GLY 41 N 1.68 0.35 3.76 8.31 0.00 0.36 -4.91 105.19 114.74 1pu0 n GLY 41 Ca 0.08 -2.30 -0.40 0.00 0.00 0.00 0.00 46.02 43.41 1pu0 n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pu0 s LEU 42 N 0.00 4.62 -0.04 0.99 1.43 -1.26 -0.50 118.68 123.92 1pu0 s LEU 42 Ca 0.00 1.86 0.01 0.00 -1.03 0.00 0.00 54.13 54.97 1pu0 s LEU 42 Cb 0.00 -3.55 0.02 0.00 0.03 0.00 0.00 46.19 42.70 1pu0 s LEU 42 CO 0.00 0.16 -0.04 -1.00 0.23 0.00 0.00 176.35 175.71 1pu0 s HIS 43 N -1.19 0.63 0.67 0.29 3.76 -0.07 -3.00 115.29 116.39 1pu0 s HIS 43 Ca 0.40 -0.15 -0.17 0.00 -0.15 0.00 0.00 55.06 54.99 1pu0 s HIS 43 Cb -0.25 -0.57 0.01 0.00 1.11 0.00 0.00 32.58 32.87 1pu0 s HIS 43 CO 0.30 -0.16 1.23 0.20 -0.85 0.00 0.00 174.74 175.46 1pu0 s GLY 44 N 0.83 2.58 -0.21 -2.22 0.00 -0.25 -0.87 107.32 107.18 1pu0 s GLY 44 Ca -0.10 1.00 -0.04 0.00 0.00 0.00 0.00 44.72 45.58 1pu0 s GLY 44 CO -0.00 1.41 0.28 -0.12 0.00 0.00 0.00 173.10 174.67 1pu0 s PHE 45 N -1.73 -0.48 0.05 1.90 5.36 -0.20 -1.21 117.98 121.67 1pu0 s PHE 45 Ca 0.77 0.54 -0.07 0.00 -0.96 0.00 0.00 56.93 57.21 1pu0 s PHE 45 Cb -0.32 -0.19 -0.01 0.00 -0.34 0.00 0.00 43.02 42.17 1pu0 s PHE 45 CO 0.41 -0.60 0.14 -1.01 -1.46 0.00 0.00 175.22 172.69 1pu0 s HIS 46 N 2.41 0.17 -0.15 10.12 3.76 -0.94 -2.51 115.29 128.15 1pu0 s HIS 46 Ca 0.08 -0.51 -0.23 0.00 -0.15 0.00 0.00 55.06 54.25 1pu0 s HIS 46 Cb -0.15 -0.11 -0.03 0.00 1.11 0.00 0.00 32.58 33.41 1pu0 s HIS 46 CO -0.13 -0.43 0.70 0.08 -0.85 0.00 0.00 174.74 174.11 1pu0 s VAL 47 N -3.04 4.99 0.24 -0.90 1.01 -0.31 -0.95 120.40 121.43 1pu0 s VAL 47 Ca -0.01 1.38 0.06 0.00 0.00 0.00 0.00 61.98 63.40 1pu0 s VAL 47 Cb 0.01 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 1pu0 s VAL 47 CO -0.07 0.13 0.32 -1.00 0.00 0.00 0.00 175.10 174.48 1pu0 s HIS 48 N 1.65 3.36 0.19 5.22 3.76 0.24 -0.88 115.29 128.83 1pu0 s HIS 48 Ca 0.34 -0.04 -0.11 0.00 -0.15 0.00 0.00 55.06 55.10 1pu0 s HIS 48 Cb -0.16 -1.53 0.11 0.00 1.11 0.00 0.00 32.58 32.11 1pu0 s HIS 48 CO 0.13 0.46 1.78 1.49 -0.85 0.00 0.00 174.74 177.75 1pu0 h GLU 49 N 1.26 0.97 -5.63 1.40 4.81 -0.78 -2.80 114.58 113.80 1pu0 h GLU 49 Ca -0.51 -0.14 -0.66 0.00 -0.13 0.00 0.00 59.36 57.92 1pu0 h GLU 49 Cb 1.23 -0.17 -0.22 0.00 0.63 0.00 0.00 28.75 30.22 1pu0 h GLU 49 CO 0.61 0.77 -0.70 -0.06 -0.73 0.00 0.00 179.01 178.90 1pu0 s PHE 50 N -5.71 2.95 -0.16 0.92 0.08 -0.01 -4.69 117.98 111.36 1pu0 s PHE 50 Ca -0.13 -0.24 -0.04 0.00 0.12 0.00 0.00 56.93 56.64 1pu0 s PHE 50 Cb 0.14 -1.84 -0.11 0.00 -0.57 0.00 0.00 43.02 40.64 1pu0 s PHE 50 CO 0.80 0.07 3.10 0.41 -0.10 0.00 0.00 175.22 179.50 1pu0 n GLY 51 N 3.02 3.43 3.22 4.36 0.00 -1.06 -3.98 105.19 114.19 1pu0 n GLY 51 Ca -0.18 -1.29 -0.36 0.00 0.00 0.00 0.00 46.02 44.19 1pu0 n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pu0 s ASP 52 N 1.37 5.14 -0.22 1.61 3.68 -1.26 -4.94 116.67 122.05 1pu0 s ASP 52 Ca 0.55 -1.29 0.14 0.00 2.13 0.00 0.00 52.55 54.09 1pu0 s ASP 52 Cb 0.30 -1.80 0.59 0.00 -1.45 0.00 0.00 42.92 40.56 1pu0 s ASP 52 CO -0.07 -0.33 1.52 -3.20 0.13 0.00 0.00 175.17 173.23 1pu0 n ASN 53 N 4.71 4.05 0.25 -0.34 4.05 -1.26 -2.98 115.26 123.74 1pu0 n ASN 53 Ca -0.12 -3.14 0.07 0.00 0.45 0.00 0.00 54.58 51.84 1pu0 n ASN 53 Cb 0.44 -0.60 0.59 0.00 1.23 0.00 0.00 39.78 41.43 1pu0 n ASN 53 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 1pu0 h THR 54 N 2.06 1.04 -0.29 -0.44 1.35 -1.92 -1.25 112.91 113.46 1pu0 h THR 54 Ca 0.07 -0.28 -0.08 0.00 -0.55 0.00 0.00 66.41 65.57 1pu0 h THR 54 Cb 1.66 1.15 -0.04 0.00 -1.73 0.00 0.00 68.15 69.19 1pu0 h THR 54 CO 0.35 0.08 -0.02 0.00 -0.25 0.00 0.00 175.52 175.68 1pu0 n ALA 55 N -2.51 3.47 0.00 6.62 0.00 -1.26 -5.06 120.51 121.76 1pu0 n ALA 55 Ca -0.03 -2.65 0.00 0.00 0.00 0.00 0.00 53.44 50.77 1pu0 n ALA 55 Cb 0.16 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 18.89 1pu0 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pu0 n GLY 56 N -0.81 -1.78 0.32 0.00 0.00 -0.47 -4.02 105.19 98.43 1pu0 n GLY 56 Ca 0.26 -1.40 0.21 0.00 0.00 0.00 0.00 46.02 45.10 1pu0 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pu0 h THR 58 N 0.00 0.97 0.00 0.00 2.02 -1.91 -2.31 112.91 111.68 1pu0 h THR 58 Ca 0.00 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.92 1pu0 h THR 58 Cb 0.15 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 1pu0 h THR 58 CO 0.00 0.14 0.00 -1.54 0.37 0.00 0.00 175.52 174.49 1pu0 n SER 59 N -4.50 0.00 0.00 4.18 3.41 -0.93 -3.24 113.62 112.54 1pu0 n SER 59 Ca 0.13 -1.08 0.11 0.00 -0.26 0.00 0.00 58.87 57.76 1pu0 n SER 59 Cb 0.30 0.00 0.55 0.00 -0.26 0.00 0.00 64.21 64.80 1pu0 n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pu0 n ALA 60 N -0.94 2.13 -0.18 7.33 0.00 -0.87 -4.46 120.51 123.52 1pu0 n ALA 60 Ca 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1pu0 n ALA 60 Cb 0.09 -1.35 -0.00 0.00 0.00 0.00 0.00 19.45 18.19 1pu0 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pu0 n GLY 61 N 0.53 -1.93 3.43 0.00 0.00 -1.20 -0.83 105.19 105.21 1pu0 n GLY 61 Ca 0.11 -1.36 -0.26 0.00 0.00 0.00 0.00 46.02 44.50 1pu0 n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1pu0 n PRO 62 N -0.44 -1.22 -1.73 1.61 -0.04 -1.26 -4.54 135.00 127.37 1pu0 n PRO 62 Ca 0.00 -1.83 -0.39 0.00 -0.04 0.00 0.00 63.50 61.24 1pu0 n PRO 62 Cb 0.01 -1.23 0.03 0.00 -0.04 0.00 0.00 33.50 32.27 1pu0 n PRO 62 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1pu0 n HIS 63 N -3.68 2.26 -1.89 0.54 8.25 -1.26 -0.66 115.22 118.79 1pu0 n HIS 63 Ca 0.15 0.45 -0.42 0.00 -0.26 0.00 0.00 57.72 57.64 1pu0 n HIS 63 Cb 0.52 -2.38 -0.03 0.00 1.12 0.00 0.00 29.99 29.22 1pu0 n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1pu0 s PHE 64 N -1.25 1.76 -0.40 4.41 5.99 -0.06 -4.48 117.98 123.94 1pu0 s PHE 64 Ca 0.66 -0.03 0.10 0.00 0.00 0.00 0.00 56.93 57.66 1pu0 s PHE 64 Cb -0.45 -4.03 0.33 0.00 0.00 0.00 0.00 43.02 38.87 1pu0 s PHE 64 CO 0.53 -4.46 0.82 -1.71 -0.00 0.00 0.00 175.22 170.41 1pu0 n ASN 65 N 7.19 -0.25 0.24 6.13 5.15 -1.26 -1.57 115.26 130.90 1pu0 n ASN 65 Ca 0.18 -3.18 0.16 0.00 -0.60 0.00 0.00 54.58 51.14 1pu0 n ASN 65 Cb 0.42 0.18 0.72 0.00 -0.53 0.00 0.00 39.78 40.56 1pu0 n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1pu0 h PRO 66 N 3.13 0.00 -0.02 1.20 0.13 -1.94 -0.99 132.00 133.52 1pu0 h PRO 66 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1pu0 h PRO 66 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1pu0 h PRO 66 CO 0.39 0.00 -0.07 1.28 -0.23 0.00 0.00 178.00 179.37 1pu0 n LEU 67 N -2.81 1.69 -3.43 1.56 4.77 -1.26 -4.96 117.00 112.55 1pu0 n LEU 67 Ca 0.00 -0.55 -0.18 0.00 -0.03 0.00 0.00 56.01 55.25 1pu0 n LEU 67 Cb 0.23 -0.02 0.07 0.00 -2.33 0.00 0.00 43.42 41.36 1pu0 n LEU 67 CO 0.23 0.29 0.03 -1.20 -1.33 0.00 0.00 177.39 175.40 1pu0 n SER 68 N 0.21 -4.12 -4.86 -1.43 7.64 -0.38 -5.01 113.62 105.68 1pu0 n SER 68 Ca 0.17 -0.73 -0.24 0.00 1.01 0.00 0.00 58.87 59.07 1pu0 n SER 68 Cb 0.40 -4.81 -0.03 0.00 -1.01 0.00 0.00 64.21 58.76 1pu0 n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1pu0 s ARG 69 N -5.13 2.33 0.58 1.43 0.52 -1.26 -5.14 118.95 112.28 1pu0 s ARG 69 Ca 0.24 -1.85 -0.05 0.00 -0.52 0.00 0.00 55.73 53.55 1pu0 s ARG 69 Cb -0.04 -2.16 0.01 0.00 0.52 0.00 0.00 34.95 33.28 1pu0 s ARG 69 CO 0.76 -0.40 0.88 0.15 0.02 0.00 0.00 175.30 176.71 1pu0 s LYS 70 N -4.17 2.86 0.32 3.54 1.02 -1.26 -4.70 119.74 117.35 1pu0 s LYS 70 Ca 0.40 -0.10 -0.28 0.00 0.02 0.00 0.00 55.97 56.00 1pu0 s LYS 70 Cb -0.01 -2.30 -0.10 0.00 -0.52 0.00 0.00 37.83 34.90 1pu0 s LYS 70 CO 0.23 -0.70 1.19 -1.58 -0.92 0.00 0.00 175.35 173.58 1pu0 s HIS 71 N -2.96 3.29 0.16 3.18 5.65 -0.17 -2.92 115.29 121.52 1pu0 s HIS 71 Ca 0.54 1.56 -0.01 0.00 0.25 0.00 0.00 55.06 57.40 1pu0 s HIS 71 Cb -0.10 -3.46 0.01 0.00 -1.18 0.00 0.00 32.58 27.84 1pu0 s HIS 71 CO 0.44 -1.19 0.23 0.41 -0.65 0.00 0.00 174.74 173.99 1pu0 n GLY 72 N 0.94 2.58 3.90 1.59 0.00 -1.25 -4.38 105.19 108.58 1pu0 n GLY 72 Ca 0.00 -1.46 -0.28 0.00 0.00 0.00 0.00 46.02 44.28 1pu0 n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pu0 s GLY 73 N -1.98 1.61 0.56 -0.02 0.00 -1.19 -4.68 107.32 101.62 1pu0 s GLY 73 Ca 0.13 -0.54 0.26 0.00 0.00 0.00 0.00 44.72 44.57 1pu0 s GLY 73 CO 0.09 -0.22 2.04 -0.56 0.00 0.00 0.00 173.10 174.45 1pu0 h PRO 74 N -0.36 0.00 -0.00 2.90 0.13 -1.88 -0.98 132.00 131.81 1pu0 h PRO 74 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1pu0 h PRO 74 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1pu0 h PRO 74 CO 0.62 0.00 -0.27 1.63 -0.23 0.00 0.00 178.00 179.75 1pu0 n LYS 75 N -4.11 0.23 -2.69 0.86 5.02 -1.26 -4.89 118.16 111.32 1pu0 n LYS 75 Ca 0.05 -0.10 -0.36 0.00 -2.02 0.00 0.00 58.31 55.88 1pu0 n LYS 75 Cb 0.46 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.91 1pu0 n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1pu0 s ASP 76 N -2.84 7.02 0.16 4.39 1.01 -0.37 -4.96 116.67 121.08 1pu0 s ASP 76 Ca 0.17 1.89 0.00 0.00 0.71 0.00 0.00 52.55 55.32 1pu0 s ASP 76 Cb 0.19 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.55 1pu0 s ASP 76 CO 0.59 -0.30 1.38 -0.08 0.21 0.00 0.00 175.17 176.98 1pu0 h GLU 77 N 2.65 0.29 -5.48 8.23 4.57 -1.90 -3.38 114.58 119.56 1pu0 h GLU 77 Ca -0.48 -0.29 -0.63 0.00 -1.18 0.00 0.00 59.36 56.79 1pu0 h GLU 77 Cb 1.20 0.08 -0.14 0.00 -0.16 0.00 0.00 28.75 29.72 1pu0 h GLU 77 CO 0.63 0.98 0.54 -2.00 -1.18 0.00 0.00 179.01 177.98 1pu0 s GLU 78 N -3.34 3.13 0.14 1.92 2.56 -1.26 -4.96 118.70 116.90 1pu0 s GLU 78 Ca -0.04 -0.78 -0.18 0.00 0.00 0.00 0.00 54.97 53.97 1pu0 s GLU 78 Cb 0.10 -4.21 0.04 0.00 2.00 0.00 0.00 34.13 32.06 1pu0 s GLU 78 CO 0.84 -1.78 0.47 -0.98 -0.56 0.00 0.00 175.26 173.24 1pu0 s ARG 79 N 4.05 1.16 0.53 4.30 1.70 -1.19 -3.85 118.95 125.65 1pu0 s ARG 79 Ca 0.23 -0.66 -0.19 0.00 -0.47 0.00 0.00 55.73 54.64 1pu0 s ARG 79 Cb -0.16 0.51 -0.07 0.00 -0.57 0.00 0.00 34.95 34.66 1pu0 s ARG 79 CO 0.11 -0.48 1.08 -1.01 -1.08 0.00 0.00 175.30 173.92 1pu0 s HIS 80 N -3.80 2.86 0.43 5.89 3.76 -1.15 -4.64 115.29 118.64 1pu0 s HIS 80 Ca 0.03 1.56 0.16 0.00 -0.15 0.00 0.00 55.06 56.66 1pu0 s HIS 80 Cb 0.01 -3.14 1.06 0.00 1.11 0.00 0.00 32.58 31.61 1pu0 s HIS 80 CO -0.11 -1.17 1.92 0.28 -0.85 0.00 0.00 174.74 174.81 1pu0 h VAL 81 N 1.24 0.79 -0.07 -0.90 2.07 -1.84 -1.90 116.25 115.65 1pu0 h VAL 81 Ca -0.49 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1pu0 h VAL 81 Cb 1.24 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1pu0 h VAL 81 CO 0.58 0.07 0.00 0.61 0.02 0.00 0.00 177.57 178.85 1pu0 n GLY 82 N -1.52 -0.49 3.55 2.17 0.00 -0.61 -4.34 105.19 103.96 1pu0 n GLY 82 Ca 0.14 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 1pu0 n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pu0 s ASP 83 N -1.53 6.03 -0.04 1.61 1.01 -0.72 -1.17 116.67 121.87 1pu0 s ASP 83 Ca 0.28 -0.24 0.17 0.00 0.71 0.00 0.00 52.55 53.47 1pu0 s ASP 83 Cb 0.14 -2.55 0.54 0.00 1.01 0.00 0.00 42.92 42.05 1pu0 s ASP 83 CO 0.22 -1.89 1.45 0.18 0.21 0.00 0.00 175.17 175.34 1pu0 n LEU 84 N 9.87 3.78 0.00 1.23 4.77 -1.04 -3.86 117.00 131.76 1pu0 n LEU 84 Ca 0.07 -2.17 0.00 0.00 -0.03 0.00 0.00 56.01 53.87 1pu0 n LEU 84 Cb 0.49 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1pu0 n LEU 84 CO 0.71 0.84 0.00 0.61 -1.33 0.00 0.00 177.39 178.22 1pu0 n GLY 85 N 0.99 0.30 3.36 -0.72 0.00 -1.21 -4.81 105.19 103.10 1pu0 n GLY 85 Ca 0.20 -0.78 -0.24 0.00 0.00 0.00 0.00 46.02 45.20 1pu0 n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pu0 s ASN 86 N -4.00 2.95 0.21 1.61 0.01 -1.26 -1.04 114.94 113.43 1pu0 s ASN 86 Ca 0.00 -0.86 0.07 0.00 -0.71 0.00 0.00 52.86 51.36 1pu0 s ASN 86 Cb 0.00 -0.19 -0.04 0.00 0.41 0.00 0.00 41.25 41.43 1pu0 s ASN 86 CO 0.00 0.02 0.06 0.68 -1.51 0.00 0.00 177.10 176.35 1pu0 s VAL 87 N -1.89 3.90 -0.19 1.60 -7.23 -0.05 -4.91 120.40 111.63 1pu0 s VAL 87 Ca 0.17 -1.49 -0.01 0.00 -1.81 0.00 0.00 61.98 58.84 1pu0 s VAL 87 Cb -0.07 -3.03 0.00 0.00 0.56 0.00 0.00 36.38 33.85 1pu0 s VAL 87 CO 0.08 -0.22 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.63 1pu0 s THR 88 N -1.95 2.71 -0.10 5.32 2.01 -1.26 -0.89 115.64 121.48 1pu0 s THR 88 Ca 0.30 -0.72 -0.14 0.00 0.31 0.00 0.00 61.69 61.44 1pu0 s THR 88 Cb -0.08 -2.19 -0.05 0.00 0.01 0.00 0.00 72.50 70.19 1pu0 s THR 88 CO 0.21 0.49 0.33 0.00 -0.69 0.00 0.00 174.62 174.96 1pu0 s ALA 89 N 1.31 3.64 1.10 7.40 0.00 0.34 -4.23 121.76 131.32 1pu0 s ALA 89 Ca 0.04 -0.37 -0.18 0.00 0.00 0.00 0.00 51.96 51.45 1pu0 s ALA 89 Cb -0.14 -2.37 0.26 0.00 0.00 0.00 0.00 23.12 20.87 1pu0 s ALA 89 CO -0.07 0.27 1.22 -0.40 0.00 0.00 0.00 175.76 176.78 1pu0 n ASP 90 N 2.84 -0.79 0.21 0.00 5.68 -0.83 -0.48 116.55 123.17 1pu0 n ASP 90 Ca -0.13 -1.35 0.11 0.00 -0.50 0.00 0.00 54.79 52.92 1pu0 n ASP 90 Cb 0.52 -1.00 0.66 0.00 -1.14 0.00 0.00 41.12 40.16 1pu0 n ASP 90 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1pu0 h LYS 91 N 0.00 0.00 -0.70 0.11 2.10 -1.97 0.70 116.57 116.81 1pu0 h LYS 91 Ca -0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 1pu0 h LYS 91 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1pu0 h LYS 91 CO 0.29 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.49 1pu0 n ASP 92 N -4.47 3.03 0.00 7.07 8.00 -1.26 -4.83 116.55 124.09 1pu0 n ASP 92 Ca -0.00 -2.36 0.00 0.00 0.71 0.00 0.00 54.79 53.14 1pu0 n ASP 92 Cb 0.20 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 1pu0 n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pu0 n GLY 93 N 0.48 0.43 3.65 0.44 0.00 0.24 -4.74 105.19 105.69 1pu0 n GLY 93 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1pu0 n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pu0 s VAL 94 N -1.92 5.21 -0.35 1.61 1.01 -1.26 -1.72 120.40 122.98 1pu0 s VAL 94 Ca 0.00 0.12 -0.08 0.00 0.00 0.00 0.00 61.98 62.02 1pu0 s VAL 94 Cb 0.00 -3.41 0.03 0.00 0.00 0.00 0.00 36.38 33.00 1pu0 s VAL 94 CO 0.00 0.37 0.15 0.00 0.00 0.00 0.00 175.10 175.62 1pu0 s ALA 95 N 0.94 3.15 0.09 5.51 0.00 0.21 -1.97 121.76 129.69 1pu0 s ALA 95 Ca 0.07 -1.71 -0.30 0.00 0.00 0.00 0.00 51.96 50.01 1pu0 s ALA 95 Cb -0.13 -2.40 -0.06 0.00 0.00 0.00 0.00 23.12 20.53 1pu0 s ALA 95 CO 0.03 -1.32 1.17 -0.51 0.00 0.00 0.00 175.76 175.13 1pu0 s ASP 96 N 1.47 7.13 -0.08 0.00 1.01 -1.26 -0.49 116.67 124.46 1pu0 s ASP 96 Ca 0.00 2.04 0.03 0.00 0.71 0.00 0.00 52.55 55.33 1pu0 s ASP 96 Cb -0.19 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.13 1pu0 s ASP 96 CO 0.04 -0.40 -0.16 -0.69 0.21 0.00 0.00 175.17 174.18 1pu0 s VAL 97 N 0.68 2.89 -0.29 -1.27 1.01 0.79 -4.68 120.40 119.52 1pu0 s VAL 97 Ca 0.56 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.79 1pu0 s VAL 97 Cb -0.29 -2.15 0.19 0.00 0.00 0.00 0.00 36.38 34.13 1pu0 s VAL 97 CO 0.31 0.57 0.59 -0.55 0.00 0.00 0.00 175.10 176.01 1pu0 s SER 98 N -0.30 -1.40 0.06 3.32 0.15 -1.25 -2.11 113.70 112.18 1pu0 s SER 98 Ca 0.02 0.58 0.05 0.00 0.70 0.00 0.00 55.95 57.29 1pu0 s SER 98 Cb -0.13 2.07 -0.03 0.00 -1.71 0.00 0.00 66.02 66.22 1pu0 s SER 98 CO 0.03 -0.28 -0.13 -0.63 1.20 0.00 0.00 173.24 173.43 1pu0 s ILE 99 N 2.83 1.00 -0.04 6.45 1.01 -0.13 -5.00 121.20 127.32 1pu0 s ILE 99 Ca 0.16 -1.25 0.04 0.00 0.00 0.00 0.00 60.65 59.60 1pu0 s ILE 99 Cb -0.13 -0.98 0.00 0.00 0.01 0.00 0.00 42.46 41.36 1pu0 s ILE 99 CO -0.23 -0.25 -0.14 -0.70 0.00 0.00 0.00 174.94 173.62 1pu0 s GLU 100 N -1.68 1.59 -0.02 2.79 2.12 -1.26 -0.67 118.70 121.57 1pu0 s GLU 100 Ca -0.03 -0.51 -0.01 0.00 0.36 0.00 0.00 54.97 54.78 1pu0 s GLU 100 Cb -0.10 -1.38 0.01 0.00 0.26 0.00 0.00 34.13 32.92 1pu0 s GLU 100 CO 0.02 0.17 0.05 0.34 -0.54 0.00 0.00 175.26 175.30 1pu0 s ASP 101 N 0.19 -0.03 -0.04 -1.70 -1.08 -0.34 -4.96 116.67 108.71 1pu0 s ASP 101 Ca -0.06 0.09 0.12 0.00 -0.52 0.00 0.00 52.55 52.18 1pu0 s ASP 101 Cb -0.12 0.06 0.35 0.00 -1.46 0.00 0.00 42.92 41.75 1pu0 s ASP 101 CO 0.02 -0.04 1.28 -1.54 0.52 0.00 0.00 175.17 175.41 1pu0 n SER 102 N 3.32 3.11 -0.11 -0.34 3.41 -1.26 -0.52 113.62 121.23 1pu0 n SER 102 Ca -0.16 -2.23 -0.16 0.00 -0.26 0.00 0.00 58.87 56.07 1pu0 n SER 102 Cb 0.58 -0.29 -0.10 0.00 -0.26 0.00 0.00 64.21 64.14 1pu0 n SER 102 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1pu0 n VAL 103 N 0.25 1.21 -1.86 -3.33 0.31 -1.26 -4.87 118.33 108.78 1pu0 n VAL 103 Ca 0.13 -0.45 -0.33 0.00 -0.01 0.00 0.00 64.34 63.69 1pu0 n VAL 103 Cb 0.52 -1.31 0.03 0.00 -0.91 0.00 0.00 33.84 32.18 1pu0 n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1pu0 s ILE 104 N -2.42 3.43 0.13 2.52 -4.36 -1.26 -4.87 121.20 114.36 1pu0 s ILE 104 Ca -0.29 0.67 -0.02 0.00 -0.26 0.00 0.00 60.65 60.76 1pu0 s ILE 104 Cb 0.08 -3.20 -0.04 0.00 1.25 0.00 0.00 42.46 40.55 1pu0 s ILE 104 CO 0.48 -0.40 0.07 -0.55 0.24 0.00 0.00 174.94 174.77 1pu0 s SER 105 N -2.63 0.30 -0.07 4.36 0.15 -0.85 -4.65 113.70 110.31 1pu0 s SER 105 Ca 0.66 -1.17 0.18 0.00 0.70 0.00 0.00 55.95 56.32 1pu0 s SER 105 Cb -0.19 0.30 0.61 0.00 -1.71 0.00 0.00 66.02 65.03 1pu0 s SER 105 CO 0.40 -0.73 1.52 0.18 1.20 0.00 0.00 173.24 175.81 1pu0 n LEU 106 N -0.09 4.14 -3.81 3.45 4.77 -1.26 -1.16 117.00 123.04 1pu0 n LEU 106 Ca -0.06 -2.28 -0.08 0.00 -0.03 0.00 0.00 56.01 53.56 1pu0 n LEU 106 Cb 0.63 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 1pu0 n LEU 106 CO 0.30 0.84 0.46 -0.44 -1.33 0.00 0.00 177.39 177.22 1pu0 s SER 107 N -1.03 -0.29 0.00 -1.43 0.01 -1.26 -4.85 113.70 104.84 1pu0 s SER 107 Ca 0.45 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 57.16 1pu0 s SER 107 Cb 0.27 0.72 0.00 0.00 0.21 0.00 0.00 66.02 67.22 1pu0 s SER 107 CO 0.24 -1.31 0.00 0.61 0.41 0.00 0.00 173.24 173.20 1pu0 n GLY 108 N -0.45 0.02 0.09 3.44 0.00 -1.26 -3.96 105.19 103.07 1pu0 n GLY 108 Ca -0.05 -1.08 -0.02 0.00 0.00 0.00 0.00 46.02 44.86 1pu0 n GLY 108 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pu0 n ASP 109 N 2.37 0.75 -1.55 1.61 8.00 -1.26 -3.54 116.55 122.92 1pu0 n ASP 109 Ca 0.00 0.34 -0.03 0.00 0.71 0.00 0.00 54.79 55.81 1pu0 n ASP 109 Cb 0.00 0.27 0.21 0.00 -0.02 0.00 0.00 41.12 41.58 1pu0 n ASP 109 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1pu0 n HIS 110 N -2.88 1.59 -2.21 1.24 8.25 -1.26 -4.97 115.22 114.97 1pu0 n HIS 110 Ca -0.13 -0.80 -0.41 0.00 -0.26 0.00 0.00 57.72 56.12 1pu0 n HIS 110 Cb 0.90 -0.49 -0.03 0.00 1.12 0.00 0.00 29.99 31.49 1pu0 n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pu0 n ILE 112 N 2.15 0.40 -2.16 0.00 -5.35 -0.31 -4.92 119.36 109.16 1pu0 n ILE 112 Ca 0.04 -0.70 -0.41 0.00 -0.27 0.00 0.00 62.75 61.42 1pu0 n ILE 112 Cb 0.43 0.96 -0.02 0.00 -1.74 0.00 0.00 39.64 39.26 1pu0 n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1pu0 s ILE 113 N -1.04 2.86 0.00 7.28 -1.09 -1.26 -1.84 121.20 126.11 1pu0 s ILE 113 Ca 0.20 0.83 0.00 0.00 -2.23 0.00 0.00 60.65 59.45 1pu0 s ILE 113 Cb 0.12 -3.53 0.00 0.00 -1.58 0.00 0.00 42.46 37.47 1pu0 s ILE 113 CO 0.17 0.18 0.00 0.61 -1.23 0.00 0.00 174.94 174.67 1pu0 n GLY 114 N 1.14 0.93 0.00 6.18 0.00 0.47 -4.99 105.19 108.92 1pu0 n GLY 114 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1pu0 n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pu0 n ARG 115 N -2.04 1.11 -4.97 1.61 1.74 -0.76 -2.55 116.66 110.80 1pu0 n ARG 115 Ca 0.00 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 1pu0 n ARG 115 Cb 0.00 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.28 1pu0 n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1pu0 s THR 116 N 0.78 1.65 -0.13 0.55 2.01 -1.06 -0.59 115.64 118.86 1pu0 s THR 116 Ca 0.00 -0.81 -0.16 0.00 0.31 0.00 0.00 61.69 61.02 1pu0 s THR 116 Cb 0.00 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 71.04 1pu0 s THR 116 CO 0.00 0.47 0.41 -0.22 -0.69 0.00 0.00 174.62 174.59 1pu0 s LEU 117 N 0.21 4.27 -0.02 4.42 2.96 -0.55 0.81 118.68 130.78 1pu0 s LEU 117 Ca -0.10 0.71 0.06 0.00 -0.22 0.00 0.00 54.13 54.58 1pu0 s LEU 117 Cb -0.15 -2.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.96 1pu0 s LEU 117 CO 0.05 0.05 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.22 1pu0 s VAL 118 N 0.50 1.68 -0.07 1.68 1.01 -0.13 -2.25 120.40 122.82 1pu0 s VAL 118 Ca 0.22 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.34 1pu0 s VAL 118 Cb -0.14 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 1pu0 s VAL 118 CO 0.08 0.48 -0.17 0.54 0.00 0.00 0.00 175.10 176.03 1pu0 s VAL 119 N -0.39 2.81 0.40 2.92 0.11 -0.70 -2.22 120.40 123.33 1pu0 s VAL 119 Ca 0.05 -0.79 0.08 0.00 -2.93 0.00 0.00 61.98 58.39 1pu0 s VAL 119 Cb -0.09 -2.11 -0.03 0.00 -1.53 0.00 0.00 36.38 32.63 1pu0 s VAL 119 CO 0.00 0.57 0.34 -1.00 -3.33 0.00 0.00 175.10 171.68 1pu0 s HIS 120 N -0.31 2.74 0.11 1.54 3.76 -0.35 -1.44 115.29 121.35 1pu0 s HIS 120 Ca 0.02 -0.46 -0.20 0.00 -0.15 0.00 0.00 55.06 54.27 1pu0 s HIS 120 Cb -0.13 -2.06 -0.09 0.00 1.11 0.00 0.00 32.58 31.42 1pu0 s HIS 120 CO 0.03 -0.02 1.76 1.49 -0.85 0.00 0.00 174.74 177.15 1pu0 h GLU 121 N 1.12 0.19 -5.37 1.40 4.81 -0.86 -3.39 114.58 112.48 1pu0 h GLU 121 Ca -0.42 -0.01 -0.63 0.00 -0.13 0.00 0.00 59.36 58.16 1pu0 h GLU 121 Cb 1.26 -0.04 -0.13 0.00 0.63 0.00 0.00 28.75 30.47 1pu0 h GLU 121 CO 0.59 0.12 -0.56 0.15 -0.73 0.00 0.00 179.01 178.58 1pu0 s LYS 122 N -6.18 2.03 0.47 1.92 1.02 0.43 -4.92 119.74 114.51 1pu0 s LYS 122 Ca -0.13 -2.23 -0.24 0.00 0.02 0.00 0.00 55.97 53.39 1pu0 s LYS 122 Cb 0.08 -1.44 -0.07 0.00 -0.52 0.00 0.00 37.83 35.88 1pu0 s LYS 122 CO 0.68 -0.23 1.39 0.00 -0.92 0.00 0.00 175.35 176.27 1pu0 s ALA 123 N -2.88 3.14 -0.08 5.17 0.00 -1.16 -1.09 121.76 124.87 1pu0 s ALA 123 Ca 0.21 1.40 -0.27 0.00 0.00 0.00 0.00 51.96 53.31 1pu0 s ALA 123 Cb 0.06 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 1pu0 s ALA 123 CO 0.11 -1.19 0.85 0.34 0.00 0.00 0.00 175.76 175.88 1pu0 s ASP 124 N -0.65 7.13 0.00 0.00 3.68 -1.26 -3.84 116.67 121.73 1pu0 s ASP 124 Ca 0.63 1.37 0.16 0.00 2.13 0.00 0.00 52.55 56.83 1pu0 s ASP 124 Cb -0.42 -2.49 0.59 0.00 -1.45 0.00 0.00 42.92 39.15 1pu0 s ASP 124 CO 0.53 -0.27 1.43 -0.90 0.13 0.00 0.00 175.17 176.09 1pu0 n ASP 125 N 4.32 1.41 -2.33 -0.34 3.85 -0.09 -4.90 116.55 118.47 1pu0 n ASP 125 Ca 0.04 -1.79 -0.20 0.00 -0.71 0.00 0.00 54.79 52.13 1pu0 n ASP 125 Cb 0.50 -0.13 -0.02 0.00 -1.35 0.00 0.00 41.12 40.13 1pu0 n ASP 125 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 1pu0 n LEU 126 N 0.19 -1.81 0.00 -2.12 4.77 -1.26 -1.81 117.00 114.96 1pu0 n LEU 126 Ca 0.13 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1pu0 n LEU 126 Cb 0.26 -2.84 0.00 0.00 -2.33 0.00 0.00 43.42 38.52 1pu0 n LEU 126 CO 0.10 -0.28 0.00 0.61 -1.33 0.00 0.00 177.39 176.49 1pu0 n GLY 127 N -0.94 0.73 1.41 -0.72 0.00 -1.25 -3.15 105.19 101.27 1pu0 n GLY 127 Ca -0.23 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.87 1pu0 n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pu0 n LYS 128 N -2.45 3.84 0.00 1.61 5.02 -0.75 -4.52 118.16 120.91 1pu0 n LYS 128 Ca 0.00 -2.91 0.13 0.00 -2.02 0.00 0.00 58.31 53.51 1pu0 n LYS 128 Cb 0.00 -1.96 0.39 0.00 -0.02 0.00 0.00 35.03 33.44 1pu0 n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pu0 n GLY 129 N 0.40 -1.35 2.79 0.72 0.00 -1.26 -4.96 105.19 101.54 1pu0 n GLY 129 Ca 0.24 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1pu0 n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pu0 n GLY 130 N 1.50 1.02 3.73 -0.02 0.00 -1.26 -4.98 105.19 105.19 1pu0 n GLY 130 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1pu0 n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pu0 s ASN 131 N -3.03 4.19 0.29 1.61 4.22 -1.26 -5.03 114.94 115.93 1pu0 s ASN 131 Ca 0.00 -1.37 -0.02 0.00 -2.14 0.00 0.00 52.86 49.32 1pu0 s ASN 131 Cb 0.00 -0.03 0.40 0.00 1.28 0.00 0.00 41.25 42.91 1pu0 s ASN 131 CO 0.00 -0.68 1.91 -0.33 -2.04 0.00 0.00 177.10 175.96 1pu0 h GLU 132 N 1.43 1.02 0.00 3.55 5.08 -2.01 -2.67 114.58 120.98 1pu0 h GLU 132 Ca -0.43 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 57.76 1pu0 h GLU 132 Cb 1.27 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1pu0 h GLU 132 CO 0.73 0.75 -0.30 1.49 -1.00 0.00 0.00 179.01 180.69 1pu0 h GLU 133 N 1.03 0.00 -0.69 2.33 4.57 -1.99 -2.76 114.58 117.06 1pu0 h GLU 133 Ca 0.26 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.48 1pu0 h GLU 133 Cb 0.03 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.58 1pu0 h GLU 133 CO -0.04 0.30 0.46 1.03 -1.18 0.00 0.00 179.01 179.57 1pu0 h SER 134 N 0.00 0.71 0.39 1.04 0.87 -1.81 0.72 113.55 115.47 1pu0 h SER 134 Ca -0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1pu0 h SER 134 Cb 0.57 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1pu0 h SER 134 CO 0.04 0.49 0.00 0.35 -0.53 0.00 0.00 176.83 177.18 1pu0 n THR 135 N -4.46 0.05 -0.07 2.23 -2.24 -1.04 -1.90 114.28 106.85 1pu0 n THR 135 Ca 0.09 0.01 -0.15 0.00 -2.27 0.00 0.00 64.05 61.73 1pu0 n THR 135 Cb 0.14 -0.54 -0.05 0.00 -2.10 0.00 0.00 70.33 67.77 1pu0 n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1pu0 n LYS 136 N -1.21 0.31 0.00 -0.78 5.02 -0.22 -1.00 118.16 120.29 1pu0 n LYS 136 Ca 0.16 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 1pu0 n LYS 136 Cb 0.19 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.18 1pu0 n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1pu0 n THR 137 N -3.69 0.00 -1.30 -0.18 -2.24 0.08 -4.66 114.28 102.30 1pu0 n THR 137 Ca -0.28 -0.26 -0.10 0.00 -2.27 0.00 0.00 64.05 61.14 1pu0 n THR 137 Cb 0.68 1.37 -0.04 0.00 -2.10 0.00 0.00 70.33 70.23 1pu0 n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pu0 n GLY 138 N 0.12 1.14 2.71 3.38 0.00 -0.80 -2.98 105.19 108.77 1pu0 n GLY 138 Ca 0.00 -0.42 -0.19 0.00 0.00 0.00 0.00 46.02 45.40 1pu0 n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pu0 n ASN 139 N 0.03 -5.13 0.03 1.61 3.02 -1.25 -0.91 115.26 112.66 1pu0 n ASN 139 Ca -0.10 -0.08 0.12 0.00 -0.03 0.00 0.00 54.58 54.49 1pu0 n ASN 139 Cb 0.37 -4.25 0.50 0.00 -0.61 0.00 0.00 39.78 35.80 1pu0 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pu0 n ALA 140 N -2.70 2.14 -0.13 5.41 0.00 -1.16 -4.71 120.51 119.36 1pu0 n ALA 140 Ca -0.15 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1pu0 n ALA 140 Cb 0.63 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1pu0 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pu0 n GLY 141 N 1.05 -0.57 3.74 0.00 0.00 -1.26 -0.43 105.19 107.73 1pu0 n GLY 141 Ca 0.06 -1.12 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 1pu0 n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pu0 s SER 142 N -4.00 3.42 -0.38 1.61 1.04 -1.26 -4.62 113.70 109.51 1pu0 s SER 142 Ca 0.00 1.19 -0.16 0.00 0.48 0.00 0.00 55.95 57.47 1pu0 s SER 142 Cb 0.00 -1.84 0.00 0.00 0.10 0.00 0.00 66.02 64.28 1pu0 s SER 142 CO 0.00 -2.63 0.36 -0.13 0.98 0.00 0.00 173.24 171.82 1pu0 s ARG 143 N -5.10 3.32 0.04 4.02 0.52 -1.26 -0.58 118.95 119.91 1pu0 s ARG 143 Ca 0.64 -0.64 0.02 0.00 -0.52 0.00 0.00 55.73 55.22 1pu0 s ARG 143 Cb -0.16 -3.88 -0.25 0.00 0.52 0.00 0.00 34.95 31.17 1pu0 s ARG 143 CO 0.55 -0.65 0.97 -0.07 0.02 0.00 0.00 175.30 176.13 1pu0 h LEU 144 N 8.79 0.24 -7.00 2.53 3.38 -1.55 -3.47 115.31 118.24 1pu0 h LEU 144 Ca -0.28 -0.32 0.06 0.00 0.09 0.00 0.00 57.88 57.43 1pu0 h LEU 144 Cb 1.13 -0.08 -0.16 0.00 0.09 0.00 0.00 40.66 41.64 1pu0 h LEU 144 CO 0.72 1.26 0.41 0.00 0.09 0.00 0.00 178.44 180.93 1pu0 s ALA 145 N -2.64 -1.79 0.11 1.53 0.00 -1.18 -4.10 121.76 113.69 1pu0 s ALA 145 Ca -0.05 1.04 -0.25 0.00 0.00 0.00 0.00 51.96 52.69 1pu0 s ALA 145 Cb 0.08 0.28 0.07 0.00 0.00 0.00 0.00 23.12 23.55 1pu0 s ALA 145 CO 0.84 -0.61 0.84 0.00 0.00 0.00 0.00 175.76 176.83 1pu0 s GLY 147 N -2.74 -0.49 0.14 0.00 0.00 -0.95 -1.52 107.32 101.76 1pu0 s GLY 147 Ca 0.07 0.95 -0.28 0.00 0.00 0.00 0.00 44.72 45.46 1pu0 s GLY 147 CO -0.04 0.32 0.90 0.14 0.00 0.00 0.00 173.10 174.41 1pu0 s VAL 148 N -3.19 4.41 -0.19 1.40 1.01 -1.26 -1.48 120.40 121.09 1pu0 s VAL 148 Ca 0.04 1.95 -0.28 0.00 0.00 0.00 0.00 61.98 63.69 1pu0 s VAL 148 Cb -0.01 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.11 1pu0 s VAL 148 CO -0.10 0.40 0.99 -0.63 0.00 0.00 0.00 175.10 175.77 1pu0 s ILE 149 N -0.48 4.74 0.23 2.22 1.01 0.25 -4.55 121.20 124.62 1pu0 s ILE 149 Ca 0.42 1.95 0.08 0.00 0.00 0.00 0.00 60.65 63.10 1pu0 s ILE 149 Cb -0.24 -4.27 -0.05 0.00 0.01 0.00 0.00 42.46 37.91 1pu0 s ILE 149 CO 0.29 -0.10 -0.13 -0.83 0.00 0.00 0.00 174.94 174.16 1pu0 s GLY 150 N 1.18 1.57 0.31 6.18 0.00 0.05 -0.39 107.32 116.21 1pu0 s GLY 150 Ca 0.44 -1.74 -0.30 0.00 0.00 0.00 0.00 44.72 43.12 1pu0 s GLY 150 CO 0.10 -1.80 1.58 -0.42 0.00 0.00 0.00 173.10 172.56 1pu0 s ILE 151 N -2.93 2.05 0.30 0.90 1.01 -1.26 -0.99 121.20 120.28 1pu0 s ILE 151 Ca 0.25 0.05 0.10 0.00 0.00 0.00 0.00 60.65 61.05 1pu0 s ILE 151 Cb -0.00 -3.03 -0.05 0.00 0.01 0.00 0.00 42.46 39.39 1pu0 s ILE 151 CO 0.09 0.01 -0.08 0.00 0.00 0.00 0.00 174.94 174.96 1pu0 s ALA 152 N -0.18 3.01 -2.00 9.38 0.00 -0.10 -4.76 121.76 127.11 1pu0 s ALA 152 Ca 0.62 -1.85 0.18 0.00 0.00 0.00 0.00 51.96 50.91 1pu0 s ALA 152 Cb -0.48 -0.43 1.10 0.00 0.00 0.00 0.00 23.12 23.31 1pu0 s ALA 152 CO 0.50 0.20 1.49 0.94 0.00 0.00 0.00 175.76 178.90