#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 3.79 0.03 0.00 2.01 -0.41 -4.88 115.64 116.17 1pu0 s THR 2 Ca 0.00 1.73 0.05 0.00 0.31 0.00 0.00 61.69 63.78 1pu0 s THR 2 Cb 0.00 -4.10 -0.02 0.00 0.01 0.00 0.00 72.50 68.39 1pu0 s THR 2 CO 0.00 0.38 -0.15 -0.54 -0.69 0.00 0.00 174.62 173.62 1pu0 s LYS 3 N -1.09 1.05 0.16 4.92 1.02 -1.26 -0.12 119.74 124.42 1pu0 s LYS 3 Ca 0.44 -0.73 -0.01 0.00 0.02 0.00 0.00 55.97 55.69 1pu0 s LYS 3 Cb -0.29 -1.07 -0.04 0.00 -0.52 0.00 0.00 37.83 35.91 1pu0 s LYS 3 CO 0.37 0.27 0.09 0.00 -0.92 0.00 0.00 175.35 175.16 1pu0 s ALA 4 N -0.72 0.94 0.05 5.17 0.00 -0.54 -1.40 121.76 125.26 1pu0 s ALA 4 Ca 0.03 -1.53 -0.14 0.00 0.00 0.00 0.00 51.96 50.32 1pu0 s ALA 4 Cb -0.07 1.06 0.02 0.00 0.00 0.00 0.00 23.12 24.13 1pu0 s ALA 4 CO 0.01 -0.53 0.31 0.54 0.00 0.00 0.00 175.76 176.09 1pu0 s VAL 5 N -4.09 0.08 -0.07 0.00 0.11 0.17 -0.92 120.40 115.69 1pu0 s VAL 5 Ca 0.29 -0.67 -0.03 0.00 -2.93 0.00 0.00 61.98 58.64 1pu0 s VAL 5 Cb 0.07 -0.95 0.04 0.00 -1.53 0.00 0.00 36.38 34.01 1pu0 s VAL 5 CO 0.05 -0.37 0.17 0.00 -3.33 0.00 0.00 175.10 171.62 1pu0 s VAL 7 N 1.11 4.80 -0.07 0.00 1.01 -1.26 -1.09 120.40 124.90 1pu0 s VAL 7 Ca -0.08 -0.39 -0.19 0.00 0.00 0.00 0.00 61.98 61.32 1pu0 s VAL 7 Cb -0.11 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 1pu0 s VAL 7 CO -0.06 0.03 0.53 -0.76 0.00 0.00 0.00 175.10 174.84 1pu0 s LEU 8 N 1.64 4.34 0.03 3.92 1.43 0.50 -3.99 118.68 126.55 1pu0 s LEU 8 Ca 0.05 0.98 -0.09 0.00 -1.03 0.00 0.00 54.13 54.04 1pu0 s LEU 8 Cb -0.17 -2.80 0.00 0.00 0.03 0.00 0.00 46.19 43.25 1pu0 s LEU 8 CO 0.08 0.05 0.17 -0.54 0.23 0.00 0.00 176.35 176.34 1pu0 s LYS 9 N 0.22 0.62 0.00 1.70 1.02 -0.38 -1.99 119.74 120.93 1pu0 s LYS 9 Ca 0.29 -0.56 0.00 0.00 0.02 0.00 0.00 55.97 55.72 1pu0 s LYS 9 Cb -0.16 0.26 0.00 0.00 -0.52 0.00 0.00 37.83 37.40 1pu0 s LYS 9 CO 0.14 -0.17 0.00 0.41 -0.92 0.00 0.00 175.35 174.81 1pu0 n GLY 10 N 0.94 3.83 0.12 -3.33 0.00 -1.23 -1.06 105.19 104.46 1pu0 n GLY 10 Ca -0.20 -1.08 0.12 0.00 0.00 0.00 0.00 46.02 44.86 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 0.00 -1.34 1.61 3.45 -1.91 -3.46 116.42 114.77 1pu0 h ASP 11 Ca 0.00 -0.07 0.00 0.00 0.43 0.00 0.00 57.03 57.39 1pu0 h ASP 11 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1pu0 h ASP 11 CO 0.00 0.04 0.00 0.61 -1.57 0.00 0.00 179.24 178.32 1pu0 n GLY 12 N 1.23 2.01 0.41 2.75 0.00 -1.26 -5.01 105.19 105.33 1pu0 n GLY 12 Ca 0.03 -1.99 0.11 0.00 0.00 0.00 0.00 46.02 44.16 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 1.55 -2.64 1.61 -0.04 -1.26 -4.89 135.00 129.33 1pu0 n PRO 13 Ca 0.00 -0.82 -0.42 0.00 -0.04 0.00 0.00 63.50 62.22 1pu0 n PRO 13 Cb 0.00 -1.38 -0.03 0.00 -0.04 0.00 0.00 33.50 32.05 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 -1.86 4.67 0.09 0.52 1.01 -1.26 -4.26 120.40 119.30 1pu0 s VAL 14 Ca 0.32 1.92 -0.19 0.00 0.00 0.00 0.00 61.98 64.03 1pu0 s VAL 14 Cb 0.17 -4.23 0.05 0.00 0.00 0.00 0.00 36.38 32.37 1pu0 s VAL 14 CO 0.26 0.13 0.47 0.00 0.00 0.00 0.00 175.10 175.96 1pu0 s GLN 15 N 1.16 1.06 -0.05 2.72 -2.07 -1.00 -3.56 119.66 117.91 1pu0 s GLN 15 Ca 0.53 -0.46 -0.20 0.00 -1.82 0.00 0.00 55.36 53.41 1pu0 s GLN 15 Cb -0.23 0.48 0.07 0.00 -1.09 0.00 0.00 33.01 32.24 1pu0 s GLN 15 CO 0.27 -0.40 0.91 0.41 -1.32 0.00 0.00 175.29 175.16 1pu0 n GLY 16 N 0.09 0.22 2.87 2.60 0.00 -0.84 -0.26 105.19 109.87 1pu0 n GLY 16 Ca -0.17 -0.95 -0.22 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.02 0.62 -0.08 -0.61 1.01 -0.72 -0.37 121.20 119.03 1pu0 s ILE 17 Ca 0.22 -0.11 0.04 0.00 0.00 0.00 0.00 60.65 60.79 1pu0 s ILE 17 Cb -0.00 -0.67 0.00 0.00 0.01 0.00 0.00 42.46 41.80 1pu0 s ILE 17 CO -0.02 0.27 -0.21 -0.63 0.00 0.00 0.00 174.94 174.35 1pu0 s ILE 18 N 1.29 1.81 0.03 2.92 -1.09 -0.25 -1.98 121.20 123.93 1pu0 s ILE 18 Ca -0.05 -0.88 0.00 0.00 -2.23 0.00 0.00 60.65 57.49 1pu0 s ILE 18 Cb -0.14 -1.57 -0.04 0.00 -1.58 0.00 0.00 42.46 39.14 1pu0 s ILE 18 CO -0.02 0.50 0.11 0.20 -1.23 0.00 0.00 174.94 174.50 1pu0 s ASN 19 N 0.32 5.80 -0.03 3.58 0.01 0.60 -0.65 114.94 124.57 1pu0 s ASN 19 Ca -0.15 0.14 0.05 0.00 -0.71 0.00 0.00 52.86 52.18 1pu0 s ASN 19 Cb -0.16 -1.67 -0.01 0.00 0.41 0.00 0.00 41.25 39.82 1pu0 s ASN 19 CO 0.07 0.23 -0.16 -0.36 -1.51 0.00 0.00 177.10 175.36 1pu0 s PHE 20 N -1.31 1.52 -0.01 2.20 0.08 -0.09 -1.09 117.98 119.27 1pu0 s PHE 20 Ca 0.27 -0.36 0.00 0.00 0.12 0.00 0.00 56.93 56.96 1pu0 s PHE 20 Cb -0.12 -1.01 0.02 0.00 -0.57 0.00 0.00 43.02 41.34 1pu0 s PHE 20 CO 0.19 -0.09 0.01 -2.00 -0.10 0.00 0.00 175.22 173.23 1pu0 s GLU 21 N -0.17 0.04 -0.32 0.44 2.12 -0.16 -1.47 118.70 119.19 1pu0 s GLU 21 Ca 0.02 0.09 -0.00 0.00 0.36 0.00 0.00 54.97 55.44 1pu0 s GLU 21 Cb -0.09 -0.21 0.10 0.00 0.26 0.00 0.00 34.13 34.20 1pu0 s GLU 21 CO 0.01 -0.09 0.10 -1.14 -0.54 0.00 0.00 175.26 173.59 1pu0 s GLN 22 N 0.65 0.79 0.29 4.30 0.74 0.82 -1.10 119.66 126.16 1pu0 s GLN 22 Ca -0.06 -1.17 -0.00 0.00 0.05 0.00 0.00 55.36 54.18 1pu0 s GLN 22 Cb -0.08 -2.11 0.43 0.00 1.10 0.00 0.00 33.01 32.35 1pu0 s GLN 22 CO -0.02 -0.99 1.83 0.87 -0.55 0.00 0.00 175.29 176.44 1pu0 h LYS 23 N 8.02 0.78 -5.59 1.67 6.56 -1.81 -1.09 116.57 125.11 1pu0 h LYS 23 Ca -0.12 -0.16 -0.55 0.00 -1.06 0.00 0.00 60.65 58.75 1pu0 h LYS 23 Cb 1.01 -0.12 -0.30 0.00 -0.57 0.00 0.00 32.23 32.26 1pu0 h LYS 23 CO 0.48 0.72 -0.84 -1.21 -2.06 0.00 0.00 179.45 176.54 1pu0 s GLU 24 N -5.16 1.52 0.62 3.15 0.41 -1.26 -4.25 118.70 113.73 1pu0 s GLU 24 Ca -0.09 -0.62 0.37 0.00 -0.41 0.00 0.00 54.97 54.21 1pu0 s GLU 24 Cb 0.15 -1.42 2.09 0.00 -1.78 0.00 0.00 34.13 33.17 1pu0 s GLU 24 CO 0.80 0.35 2.30 0.66 -0.49 0.00 0.00 175.26 178.87 1pu0 h SER 25 N 5.84 0.00 -0.39 -0.19 4.64 -1.98 0.17 113.55 121.63 1pu0 h SER 25 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1pu0 h SER 25 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1pu0 h SER 25 CO 0.48 0.01 0.00 -0.46 -0.87 0.00 0.00 176.83 175.99 1pu0 n ASN 26 N -3.45 4.07 -4.74 4.97 6.94 -1.26 -4.92 115.26 116.87 1pu0 n ASN 26 Ca -0.03 -2.68 -0.25 0.00 -0.02 0.00 0.00 54.58 51.60 1pu0 n ASN 26 Cb 0.09 -0.50 0.00 0.00 -2.36 0.00 0.00 39.78 37.01 1pu0 n ASN 26 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1pu0 n GLY 27 N 0.16 2.74 3.79 4.83 0.00 0.58 -5.11 105.19 112.17 1pu0 n GLY 27 Ca 0.21 -2.29 -0.33 0.00 0.00 0.00 0.00 46.02 43.61 1pu0 n GLY 27 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1pu0 s PRO 28 N -4.19 3.08 -0.24 1.61 0.02 -1.26 -4.86 135.00 129.16 1pu0 s PRO 28 Ca 0.31 1.27 -0.12 0.00 0.02 0.00 0.00 61.00 62.48 1pu0 s PRO 28 Cb -0.02 -2.00 -0.05 0.00 0.02 0.00 0.00 34.50 32.45 1pu0 s PRO 28 CO 0.19 -1.01 0.22 0.08 -0.33 0.00 0.00 177.00 176.15 1pu0 s VAL 29 N -2.43 5.32 -0.11 3.83 1.01 -0.18 -4.37 120.40 123.47 1pu0 s VAL 29 Ca 0.65 0.30 -0.21 0.00 0.00 0.00 0.00 61.98 62.71 1pu0 s VAL 29 Cb -0.18 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 1pu0 s VAL 29 CO 0.40 0.31 0.61 -0.54 0.00 0.00 0.00 175.10 175.88 1pu0 s LYS 30 N 1.20 4.35 -0.20 2.72 1.02 -0.26 -0.65 119.74 127.93 1pu0 s LYS 30 Ca 0.10 0.68 0.01 0.00 0.02 0.00 0.00 55.97 56.78 1pu0 s LYS 30 Cb -0.14 -3.47 0.02 0.00 -0.52 0.00 0.00 37.83 33.72 1pu0 s LYS 30 CO 0.06 0.02 -0.17 0.08 -0.92 0.00 0.00 175.35 174.42 1pu0 s VAL 31 N 1.01 2.19 0.07 3.17 1.01 0.18 -0.99 120.40 127.04 1pu0 s VAL 31 Ca 0.32 -1.02 -0.16 0.00 0.00 0.00 0.00 61.98 61.11 1pu0 s VAL 31 Cb -0.16 -1.99 0.03 0.00 0.00 0.00 0.00 36.38 34.26 1pu0 s VAL 31 CO 0.14 0.43 0.38 -1.66 0.00 0.00 0.00 175.10 174.39 1pu0 s TRP 32 N 1.27 -0.21 -5.00 5.22 -2.14 -0.25 -0.76 118.94 117.07 1pu0 s TRP 32 Ca 0.03 0.06 0.00 0.00 2.66 0.00 0.00 56.10 58.85 1pu0 s TRP 32 Cb -0.14 0.20 0.00 0.00 -3.10 0.00 0.00 33.47 30.43 1pu0 s TRP 32 CO -0.11 -0.60 0.00 0.41 -2.66 0.00 0.00 176.95 173.99 1pu0 n GLY 33 N 0.28 -0.66 2.96 3.67 0.00 -0.41 -0.29 105.19 110.73 1pu0 n GLY 33 Ca -0.18 -1.21 -0.14 0.00 0.00 0.00 0.00 46.02 44.49 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 0.47 -0.10 1.61 0.15 -0.84 0.36 113.70 111.35 1pu0 s SER 34 Ca 0.00 -0.18 0.02 0.00 0.70 0.00 0.00 55.95 56.49 1pu0 s SER 34 Cb 0.00 -0.02 0.01 0.00 -1.71 0.00 0.00 66.02 64.30 1pu0 s SER 34 CO 0.00 -0.02 -0.17 -0.63 1.20 0.00 0.00 173.24 173.62 1pu0 s ILE 35 N -0.41 1.59 0.46 6.45 1.01 -0.31 -1.76 121.20 128.23 1pu0 s ILE 35 Ca -0.02 -0.71 0.06 0.00 0.00 0.00 0.00 60.65 59.98 1pu0 s ILE 35 Cb -0.03 -1.43 -0.02 0.00 0.01 0.00 0.00 42.46 40.98 1pu0 s ILE 35 CO -0.00 0.46 0.23 -1.59 0.00 0.00 0.00 174.94 174.04 1pu0 s LYS 36 N 0.82 2.25 0.00 2.79 -2.85 0.64 -1.00 119.74 122.38 1pu0 s LYS 36 Ca -0.10 -1.93 0.00 0.00 -1.00 0.00 0.00 55.97 52.94 1pu0 s LYS 36 Cb -0.16 -1.98 0.00 0.00 -2.06 0.00 0.00 37.83 33.63 1pu0 s LYS 36 CO 0.01 -0.28 0.00 0.41 0.10 0.00 0.00 175.35 175.59 1pu0 n GLY 37 N -1.39 0.52 3.78 0.59 0.00 -0.61 -2.38 105.19 105.69 1pu0 n GLY 37 Ca -0.03 -0.66 -0.31 0.00 0.00 0.00 0.00 46.02 45.03 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 3.81 0.53 0.99 1.43 -0.60 -4.22 118.68 120.62 1pu0 s LEU 38 Ca 0.00 -0.00 -0.21 0.00 -1.03 0.00 0.00 54.13 52.89 1pu0 s LEU 38 Cb 0.00 -2.47 -0.06 0.00 0.03 0.00 0.00 46.19 43.69 1pu0 s LEU 38 CO 0.00 0.18 1.18 0.42 0.23 0.00 0.00 176.35 178.36 1pu0 s THR 39 N -1.38 2.89 0.40 5.49 -4.23 -1.26 -4.25 115.64 113.31 1pu0 s THR 39 Ca 0.29 0.60 -0.27 0.00 -1.18 0.00 0.00 61.69 61.13 1pu0 s THR 39 Cb -0.12 -3.27 -0.10 0.00 1.34 0.00 0.00 72.50 70.35 1pu0 s THR 39 CO 0.22 -0.08 1.45 1.21 -0.54 0.00 0.00 174.62 176.88 1pu0 n GLU 40 N -1.10 2.47 0.00 3.99 2.13 -1.26 -4.60 120.64 122.27 1pu0 n GLU 40 Ca 0.11 0.87 0.00 0.00 0.66 0.00 0.00 57.16 58.80 1pu0 n GLU 40 Cb 0.49 -2.62 0.00 0.00 0.27 0.00 0.00 31.44 29.58 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 0.53 -0.00 3.73 8.31 0.00 -0.46 -4.91 105.19 112.40 1pu0 n GLY 41 Ca 0.03 -2.27 -0.41 0.00 0.00 0.00 0.00 46.02 43.37 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 4.53 -0.04 0.99 1.43 -1.26 -0.70 118.68 123.62 1pu0 s LEU 42 Ca 0.00 1.87 0.02 0.00 -1.03 0.00 0.00 54.13 54.98 1pu0 s LEU 42 Cb 0.00 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.64 1pu0 s LEU 42 CO 0.00 -0.04 -0.08 -1.00 0.23 0.00 0.00 176.35 175.47 1pu0 s HIS 43 N -0.29 0.97 0.58 0.29 3.76 -0.03 -2.83 115.29 117.75 1pu0 s HIS 43 Ca 0.46 -0.30 -0.20 0.00 -0.15 0.00 0.00 55.06 54.87 1pu0 s HIS 43 Cb -0.25 -0.77 -0.04 0.00 1.11 0.00 0.00 32.58 32.64 1pu0 s HIS 43 CO 0.31 -0.19 1.24 0.41 -0.85 0.00 0.00 174.74 175.66 1pu0 n GLY 44 N 3.80 0.44 2.77 -2.22 0.00 -0.23 -1.32 105.19 108.43 1pu0 n GLY 44 Ca -0.23 -0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.56 1pu0 n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1pu0 s PHE 45 N -1.36 -0.36 0.03 1.61 5.36 -0.53 -0.38 117.98 122.35 1pu0 s PHE 45 Ca 0.76 0.27 -0.05 0.00 -0.96 0.00 0.00 56.93 56.95 1pu0 s PHE 45 Cb -0.41 -0.32 -0.01 0.00 -0.34 0.00 0.00 43.02 41.94 1pu0 s PHE 45 CO 0.46 -0.64 0.09 -1.01 -1.46 0.00 0.00 175.22 172.66 1pu0 s HIS 46 N 2.36 0.19 -0.20 10.12 3.76 -0.88 -2.92 115.29 127.72 1pu0 s HIS 46 Ca 0.08 -0.48 -0.22 0.00 -0.15 0.00 0.00 55.06 54.29 1pu0 s HIS 46 Cb -0.16 -0.14 -0.02 0.00 1.11 0.00 0.00 32.58 33.37 1pu0 s HIS 46 CO -0.14 -0.35 0.68 0.08 -0.85 0.00 0.00 174.74 174.16 1pu0 s VAL 47 N -2.48 4.98 0.34 -0.90 1.01 -0.52 -1.03 120.40 121.81 1pu0 s VAL 47 Ca -0.06 1.29 0.01 0.00 0.00 0.00 0.00 61.98 63.22 1pu0 s VAL 47 Cb -0.02 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 1pu0 s VAL 47 CO -0.04 0.08 0.53 -1.00 0.00 0.00 0.00 175.10 174.67 1pu0 s HIS 48 N 2.03 3.49 0.16 5.22 3.76 0.13 -0.74 115.29 129.33 1pu0 s HIS 48 Ca 0.31 0.30 -0.12 0.00 -0.15 0.00 0.00 55.06 55.40 1pu0 s HIS 48 Cb -0.16 -1.87 0.04 0.00 1.11 0.00 0.00 32.58 31.70 1pu0 s HIS 48 CO 0.11 0.15 1.65 1.49 -0.85 0.00 0.00 174.74 177.28 1pu0 h GLU 49 N 0.79 0.86 -5.75 1.40 4.81 -0.76 -2.94 114.58 113.00 1pu0 h GLU 49 Ca -0.50 -0.22 -0.66 0.00 -0.13 0.00 0.00 59.36 57.84 1pu0 h GLU 49 Cb 1.22 -0.11 -0.16 0.00 0.63 0.00 0.00 28.75 30.34 1pu0 h GLU 49 CO 0.61 0.84 -0.62 -0.06 -0.73 0.00 0.00 179.01 179.05 1pu0 s PHE 50 N -5.23 3.17 -0.78 0.92 0.08 -0.05 -4.70 117.98 111.38 1pu0 s PHE 50 Ca -0.13 0.11 -0.06 0.00 0.12 0.00 0.00 56.93 56.98 1pu0 s PHE 50 Cb 0.12 -1.86 -0.01 0.00 -0.57 0.00 0.00 43.02 40.69 1pu0 s PHE 50 CO 0.81 0.35 2.87 0.41 -0.10 0.00 0.00 175.22 179.56 1pu0 n GLY 51 N 2.57 4.31 3.11 4.36 0.00 -1.07 -3.76 105.19 114.71 1pu0 n GLY 51 Ca -0.18 -1.74 -0.33 0.00 0.00 0.00 0.00 46.02 43.77 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 0.96 4.64 -0.18 1.61 3.68 -1.26 -4.96 116.67 121.17 1pu0 s ASP 52 Ca 0.61 -1.36 0.16 0.00 2.13 0.00 0.00 52.55 54.08 1pu0 s ASP 52 Cb 0.28 -1.62 0.64 0.00 -1.45 0.00 0.00 42.92 40.77 1pu0 s ASP 52 CO -0.12 -0.22 1.55 -3.20 0.13 0.00 0.00 175.17 173.31 1pu0 n ASN 53 N 4.51 4.55 0.22 -0.34 4.05 -1.26 -2.83 115.26 124.15 1pu0 n ASN 53 Ca -0.13 -2.85 0.07 0.00 0.45 0.00 0.00 54.58 52.12 1pu0 n ASN 53 Cb 0.43 -0.57 0.50 0.00 1.23 0.00 0.00 39.78 41.37 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 2.83 0.93 -1.18 -0.44 1.35 -1.92 -2.06 112.91 112.42 1pu0 h THR 54 Ca 0.00 -0.97 -0.58 0.00 -0.55 0.00 0.00 66.41 64.32 1pu0 h THR 54 Cb 1.58 1.56 -0.42 0.00 -1.73 0.00 0.00 68.15 69.14 1pu0 h THR 54 CO 0.30 0.25 -0.69 0.00 -0.25 0.00 0.00 175.52 175.13 1pu0 n ALA 55 N -2.37 5.11 -0.82 6.62 0.00 -1.26 -5.06 120.51 122.73 1pu0 n ALA 55 Ca -0.02 -4.06 0.00 0.00 0.00 0.00 0.00 53.44 49.36 1pu0 n ALA 55 Cb 0.34 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.29 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 -0.59 0.60 0.30 0.00 0.00 -0.78 -3.13 105.19 101.58 1pu0 n GLY 56 Ca 0.42 -0.84 0.20 0.00 0.00 0.00 0.00 46.02 45.79 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 1.04 -0.01 0.00 2.02 -1.88 -2.15 112.91 111.93 1pu0 h THR 58 Ca 0.00 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1pu0 h THR 58 Cb 0.20 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1pu0 h THR 58 CO 0.00 0.08 0.00 -1.54 0.37 0.00 0.00 175.52 174.43 1pu0 n SER 59 N -4.42 0.32 0.00 4.18 3.41 -1.03 -3.26 113.62 112.82 1pu0 n SER 59 Ca -0.03 -1.22 0.07 0.00 -0.26 0.00 0.00 58.87 57.44 1pu0 n SER 59 Cb 0.16 -0.01 0.36 0.00 -0.26 0.00 0.00 64.21 64.46 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 -0.69 1.77 -0.31 7.33 0.00 -0.81 -4.42 120.51 123.37 1pu0 n ALA 60 Ca 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1pu0 n ALA 60 Cb 0.15 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 0.06 -1.47 0.67 0.00 0.00 -1.20 -0.88 105.19 102.37 1pu0 n GLY 61 Ca 0.05 -1.26 -0.05 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.46 -0.11 -2.10 1.61 -0.04 -1.26 -4.59 135.00 128.05 1pu0 n PRO 62 Ca 0.00 -0.37 -0.38 0.00 -0.04 0.00 0.00 63.50 62.71 1pu0 n PRO 62 Cb 0.00 -0.22 0.01 0.00 -0.04 0.00 0.00 33.50 33.25 1pu0 n PRO 62 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1pu0 s HIS 63 N -1.32 2.70 0.03 0.54 3.76 -1.26 -0.58 115.29 119.17 1pu0 s HIS 63 Ca 0.13 1.48 -0.30 0.00 -0.15 0.00 0.00 55.06 56.22 1pu0 s HIS 63 Cb -0.00 -3.52 -0.08 0.00 1.11 0.00 0.00 32.58 30.09 1pu0 s HIS 63 CO 0.09 -1.95 1.73 0.12 -0.85 0.00 0.00 174.74 173.88 1pu0 s PHE 64 N -1.45 2.04 -0.41 1.40 5.99 0.08 -4.43 117.98 121.19 1pu0 s PHE 64 Ca 0.65 0.09 0.09 0.00 0.00 0.00 0.00 56.93 57.76 1pu0 s PHE 64 Cb -0.33 -4.03 0.30 0.00 0.00 0.00 0.00 43.02 38.97 1pu0 s PHE 64 CO 0.39 -4.31 0.80 -1.71 -0.00 0.00 0.00 175.22 170.39 1pu0 n ASN 65 N 6.43 -0.62 0.29 6.13 5.15 -1.26 -1.46 115.26 129.92 1pu0 n ASN 65 Ca 0.17 -3.15 0.18 0.00 -0.60 0.00 0.00 54.58 51.18 1pu0 n ASN 65 Cb 0.41 0.35 0.86 0.00 -0.53 0.00 0.00 39.78 40.87 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 3.37 0.00 -0.42 1.20 0.13 -1.94 -2.10 132.00 132.25 1pu0 h PRO 66 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1pu0 h PRO 66 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1pu0 h PRO 66 CO 0.38 0.03 0.00 1.28 -0.23 0.00 0.00 178.00 179.45 1pu0 n LEU 67 N -3.17 3.24 -3.58 1.56 4.77 -1.26 -4.96 117.00 113.60 1pu0 n LEU 67 Ca -0.01 -1.44 -0.20 0.00 -0.03 0.00 0.00 56.01 54.33 1pu0 n LEU 67 Cb 0.22 -0.27 0.05 0.00 -2.33 0.00 0.00 43.42 41.10 1pu0 n LEU 67 CO 0.25 0.72 -0.00 -1.20 -1.33 0.00 0.00 177.39 175.83 1pu0 n SER 68 N 1.33 -2.08 -4.94 -1.43 7.64 -0.79 -5.00 113.62 108.35 1pu0 n SER 68 Ca 0.20 -0.76 -0.23 0.00 1.01 0.00 0.00 58.87 59.09 1pu0 n SER 68 Cb 0.56 -4.46 0.01 0.00 -1.01 0.00 0.00 64.21 59.31 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 -5.65 2.35 0.51 1.43 0.52 -1.26 -5.13 118.95 111.72 1pu0 s ARG 69 Ca 0.06 -1.78 -0.05 0.00 -0.52 0.00 0.00 55.73 53.45 1pu0 s ARG 69 Cb -0.01 -2.35 -0.02 0.00 0.52 0.00 0.00 34.95 33.09 1pu0 s ARG 69 CO 0.78 -0.60 0.81 0.15 0.02 0.00 0.00 175.30 176.47 1pu0 s LYS 70 N -4.37 3.28 0.30 3.54 1.02 -1.26 -4.74 119.74 117.51 1pu0 s LYS 70 Ca 0.46 0.06 -0.29 0.00 0.02 0.00 0.00 55.97 56.22 1pu0 s LYS 70 Cb -0.04 -2.36 -0.10 0.00 -0.52 0.00 0.00 37.83 34.81 1pu0 s LYS 70 CO 0.28 -0.37 1.40 -1.58 -0.92 0.00 0.00 175.35 174.16 1pu0 s HIS 71 N -2.80 2.96 0.00 3.18 5.65 -0.17 -3.05 115.29 121.06 1pu0 s HIS 71 Ca 0.50 1.19 0.00 0.00 0.25 0.00 0.00 55.06 56.99 1pu0 s HIS 71 Cb -0.10 -3.80 0.00 0.00 -1.18 0.00 0.00 32.58 27.50 1pu0 s HIS 71 CO 0.44 -2.43 0.00 0.41 -0.65 0.00 0.00 174.74 172.51 1pu0 n GLY 72 N 1.43 3.56 3.96 1.59 0.00 -1.24 -4.41 105.19 110.08 1pu0 n GLY 72 Ca 0.03 -1.34 -0.22 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.71 1.47 0.54 -0.02 0.00 -1.24 -4.71 107.32 102.65 1pu0 s GLY 73 Ca 0.00 -1.09 0.26 0.00 0.00 0.00 0.00 44.72 43.89 1pu0 s GLY 73 CO 0.00 -0.98 2.15 -0.56 0.00 0.00 0.00 173.10 173.70 1pu0 h PRO 74 N 0.65 0.00 -0.01 2.90 0.13 -1.87 -0.86 132.00 132.94 1pu0 h PRO 74 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1pu0 h PRO 74 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1pu0 h PRO 74 CO 0.58 0.07 -0.08 1.63 -0.23 0.00 0.00 178.00 179.97 1pu0 n LYS 75 N -3.85 0.96 -2.79 0.86 5.02 -1.26 -4.89 118.16 112.20 1pu0 n LYS 75 Ca -0.02 -0.37 -0.33 0.00 -2.02 0.00 0.00 58.31 55.57 1pu0 n LYS 75 Cb 0.16 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.62 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 -2.30 6.84 0.15 4.39 -0.00 -0.33 -4.95 116.67 120.47 1pu0 s ASP 76 Ca 0.33 1.59 0.04 0.00 -0.00 0.00 0.00 52.55 54.51 1pu0 s ASP 76 Cb 0.20 -2.50 -0.08 0.00 -0.00 0.00 0.00 42.92 40.54 1pu0 s ASP 76 CO 0.43 -0.38 1.33 -0.08 -0.00 0.00 0.00 175.17 176.47 1pu0 h GLU 77 N 1.76 0.13 -5.41 8.23 4.57 -1.90 -3.38 114.58 118.58 1pu0 h GLU 77 Ca -0.48 -0.16 -0.63 0.00 -1.18 0.00 0.00 59.36 56.90 1pu0 h GLU 77 Cb 1.18 0.05 -0.15 0.00 -0.16 0.00 0.00 28.75 29.68 1pu0 h GLU 77 CO 0.62 0.98 0.51 -2.00 -1.18 0.00 0.00 179.01 177.93 1pu0 s GLU 78 N -3.00 3.12 0.15 1.92 2.56 -1.26 -4.94 118.70 117.24 1pu0 s GLU 78 Ca -0.02 -0.83 -0.18 0.00 0.00 0.00 0.00 54.97 53.94 1pu0 s GLU 78 Cb 0.10 -4.22 0.04 0.00 2.00 0.00 0.00 34.13 32.05 1pu0 s GLU 78 CO 0.83 -1.77 0.48 -0.98 -0.56 0.00 0.00 175.26 173.26 1pu0 s ARG 79 N 3.95 1.18 0.51 4.30 1.70 -1.17 -3.66 118.95 125.75 1pu0 s ARG 79 Ca 0.22 -0.66 -0.18 0.00 -0.47 0.00 0.00 55.73 54.63 1pu0 s ARG 79 Cb -0.17 0.51 -0.08 0.00 -0.57 0.00 0.00 34.95 34.65 1pu0 s ARG 79 CO 0.10 -0.49 1.01 -1.01 -1.08 0.00 0.00 175.30 173.84 1pu0 s HIS 80 N -3.80 3.18 0.32 5.89 3.76 -1.20 -4.65 115.29 118.79 1pu0 s HIS 80 Ca 0.03 1.54 0.05 0.00 -0.15 0.00 0.00 55.06 56.53 1pu0 s HIS 80 Cb 0.01 -2.94 0.69 0.00 1.11 0.00 0.00 32.58 31.45 1pu0 s HIS 80 CO -0.11 -0.63 1.85 0.28 -0.85 0.00 0.00 174.74 175.28 1pu0 h VAL 81 N 1.20 0.88 0.00 -0.90 2.07 -1.86 -1.79 116.25 115.84 1pu0 h VAL 81 Ca -0.48 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1pu0 h VAL 81 Cb 1.20 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1pu0 h VAL 81 CO 0.60 0.15 0.00 0.61 0.02 0.00 0.00 177.57 178.95 1pu0 n GLY 82 N -1.39 -0.86 3.55 2.17 0.00 -0.54 -4.43 105.19 103.69 1pu0 n GLY 82 Ca 0.18 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.74 6.22 0.00 1.61 1.01 -0.68 -1.43 116.67 121.65 1pu0 s ASP 83 Ca 0.29 -0.62 0.23 0.00 0.71 0.00 0.00 52.55 53.16 1pu0 s ASP 83 Cb 0.13 -2.56 0.51 0.00 1.01 0.00 0.00 42.92 42.01 1pu0 s ASP 83 CO 0.22 -1.78 1.45 0.18 0.21 0.00 0.00 175.17 175.45 1pu0 n LEU 84 N 9.29 3.65 0.00 1.23 4.77 -1.15 -3.78 117.00 131.01 1pu0 n LEU 84 Ca 0.08 -1.71 0.00 0.00 -0.03 0.00 0.00 56.01 54.35 1pu0 n LEU 84 Cb 0.49 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1pu0 n LEU 84 CO 0.70 0.84 0.00 0.61 -1.33 0.00 0.00 177.39 178.21 1pu0 n GLY 85 N 1.53 0.44 3.46 -0.72 0.00 -1.22 -4.80 105.19 103.88 1pu0 n GLY 85 Ca 0.21 -0.92 -0.23 0.00 0.00 0.00 0.00 46.02 45.07 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 3.48 0.23 1.61 0.01 -1.26 -1.45 114.94 113.56 1pu0 s ASN 86 Ca 0.00 -1.04 0.11 0.00 -0.71 0.00 0.00 52.86 51.22 1pu0 s ASN 86 Cb 0.00 -0.28 -0.05 0.00 0.41 0.00 0.00 41.25 41.33 1pu0 s ASN 86 CO 0.00 0.01 -0.14 0.68 -1.51 0.00 0.00 177.10 176.14 1pu0 s VAL 87 N -2.57 2.84 -0.18 1.60 -7.23 -0.43 -4.91 120.40 109.52 1pu0 s VAL 87 Ca 0.29 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 1pu0 s VAL 87 Cb -0.04 -2.45 0.01 0.00 0.56 0.00 0.00 36.38 34.46 1pu0 s VAL 87 CO 0.14 -0.26 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.62 1pu0 s THR 88 N -2.09 2.47 -0.06 5.32 2.01 -1.26 -0.85 115.64 121.18 1pu0 s THR 88 Ca 0.27 -0.81 -0.16 0.00 0.31 0.00 0.00 61.69 61.30 1pu0 s THR 88 Cb -0.07 -2.06 -0.05 0.00 0.01 0.00 0.00 72.50 70.34 1pu0 s THR 88 CO 0.15 0.51 0.42 0.00 -0.69 0.00 0.00 174.62 175.01 1pu0 s ALA 89 N 1.14 3.60 1.00 7.40 0.00 0.12 -4.14 121.76 130.89 1pu0 s ALA 89 Ca 0.01 -0.23 -0.11 0.00 0.00 0.00 0.00 51.96 51.62 1pu0 s ALA 89 Cb -0.14 -2.49 0.16 0.00 0.00 0.00 0.00 23.12 20.64 1pu0 s ALA 89 CO -0.06 0.25 0.91 -0.40 0.00 0.00 0.00 175.76 176.46 1pu0 n ASP 90 N 2.73 0.02 0.18 0.00 3.85 -0.13 -1.36 116.55 121.84 1pu0 n ASP 90 Ca -0.11 -1.32 0.14 0.00 -0.71 0.00 0.00 54.79 52.79 1pu0 n ASP 90 Cb 0.52 -0.70 0.61 0.00 -1.35 0.00 0.00 41.12 40.21 1pu0 n ASP 90 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.20 176.26 1pu0 h LYS 91 N 0.00 0.00 -0.63 0.11 2.10 -1.98 -2.43 116.57 113.74 1pu0 h LYS 91 Ca -0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 1pu0 h LYS 91 Cb 0.81 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.14 1pu0 h LYS 91 CO 0.21 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.41 1pu0 n ASP 92 N -2.48 3.92 0.00 7.07 8.00 -1.26 -4.91 116.55 126.88 1pu0 n ASP 92 Ca 0.01 -2.35 0.00 0.00 0.71 0.00 0.00 54.79 53.16 1pu0 n ASP 92 Cb 0.19 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 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 1.00 0.46 3.16 0.44 0.00 -0.92 -4.87 105.19 104.46 1pu0 n GLY 93 Ca 0.21 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.00 1.91 -0.36 1.61 1.01 -1.26 -1.55 120.40 119.77 1pu0 s VAL 94 Ca 0.00 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 60.93 1pu0 s VAL 94 Cb 0.00 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 1pu0 s VAL 94 CO 0.00 0.52 0.31 0.00 0.00 0.00 0.00 175.10 175.94 1pu0 s ALA 95 N 0.65 3.49 -0.67 5.51 0.00 -0.17 -0.96 121.76 129.61 1pu0 s ALA 95 Ca -0.12 -1.36 -0.20 0.00 0.00 0.00 0.00 51.96 50.27 1pu0 s ALA 95 Cb -0.16 -2.79 0.10 0.00 0.00 0.00 0.00 23.12 20.27 1pu0 s ALA 95 CO 0.03 -1.12 0.88 -0.51 0.00 0.00 0.00 175.76 175.04 1pu0 s ASP 96 N 1.73 6.25 0.09 0.00 1.01 -1.26 -1.17 116.67 123.33 1pu0 s ASP 96 Ca 0.09 -1.36 -0.26 0.00 0.71 0.00 0.00 52.55 51.73 1pu0 s ASP 96 Cb -0.17 -2.36 -0.06 0.00 1.01 0.00 0.00 42.92 41.33 1pu0 s ASP 96 CO 0.11 -1.24 0.80 -0.69 0.21 0.00 0.00 175.17 174.36 1pu0 s VAL 97 N 3.23 4.59 -0.29 -1.27 1.01 0.16 -4.91 120.40 122.92 1pu0 s VAL 97 Ca 0.19 1.73 0.02 0.00 0.00 0.00 0.00 61.98 63.92 1pu0 s VAL 97 Cb -0.18 -4.16 0.18 0.00 0.00 0.00 0.00 36.38 32.22 1pu0 s VAL 97 CO 0.05 0.40 0.52 -0.55 0.00 0.00 0.00 175.10 175.52 1pu0 s SER 98 N -0.35 -0.80 0.04 3.32 0.15 -1.25 -1.29 113.70 113.52 1pu0 s SER 98 Ca 0.39 0.22 0.03 0.00 0.70 0.00 0.00 55.95 57.29 1pu0 s SER 98 Cb -0.22 1.70 -0.02 0.00 -1.71 0.00 0.00 66.02 65.78 1pu0 s SER 98 CO 0.25 -0.30 -0.09 -0.63 1.20 0.00 0.00 173.24 173.67 1pu0 s ILE 99 N 2.72 0.68 -0.08 6.45 1.01 0.06 -5.01 121.20 127.04 1pu0 s ILE 99 Ca 0.13 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.87 1pu0 s ILE 99 Cb -0.13 -0.68 0.01 0.00 0.01 0.00 0.00 42.46 41.67 1pu0 s ILE 99 CO -0.24 -0.21 -0.16 -0.70 0.00 0.00 0.00 174.94 173.63 1pu0 s GLU 100 N -1.26 2.13 -0.01 2.79 2.12 -1.26 0.47 118.70 123.67 1pu0 s GLU 100 Ca -0.05 -0.57 0.01 0.00 0.36 0.00 0.00 54.97 54.72 1pu0 s GLU 100 Cb -0.08 -1.69 0.01 0.00 0.26 0.00 0.00 34.13 32.62 1pu0 s GLU 100 CO 0.01 0.08 -0.03 0.34 -0.54 0.00 0.00 175.26 175.12 1pu0 s ASP 101 N 0.54 0.53 0.00 -1.70 -1.08 0.17 -4.97 116.67 110.15 1pu0 s ASP 101 Ca -0.16 -0.07 0.17 0.00 -0.52 0.00 0.00 52.55 51.97 1pu0 s ASP 101 Cb -0.16 -0.13 0.43 0.00 -1.46 0.00 0.00 42.92 41.59 1pu0 s ASP 101 CO 0.05 0.01 1.35 -1.20 0.52 0.00 0.00 175.17 175.90 1pu0 n SER 102 N 3.32 3.30 -0.11 -0.34 7.64 -1.26 -1.01 113.62 125.16 1pu0 n SER 102 Ca -0.17 -1.96 -0.15 0.00 1.01 0.00 0.00 58.87 57.60 1pu0 n SER 102 Cb 0.56 -0.31 -0.10 0.00 -1.01 0.00 0.00 64.21 63.36 1pu0 n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1pu0 n VAL 103 N 1.08 1.21 -1.43 0.44 0.31 -1.26 -4.91 118.33 113.77 1pu0 n VAL 103 Ca 0.17 -0.46 -0.30 0.00 -0.01 0.00 0.00 64.34 63.74 1pu0 n VAL 103 Cb 0.51 -1.27 0.09 0.00 -0.91 0.00 0.00 33.84 32.27 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 3.26 0.09 2.52 -4.36 -1.26 -4.88 121.20 114.14 1pu0 s ILE 104 Ca -0.29 0.41 -0.10 0.00 -0.26 0.00 0.00 60.65 60.41 1pu0 s ILE 104 Cb 0.07 -3.05 0.01 0.00 1.25 0.00 0.00 42.46 40.74 1pu0 s ILE 104 CO 0.49 -0.53 0.24 -0.55 0.24 0.00 0.00 174.94 174.82 1pu0 s SER 105 N -3.68 0.04 0.00 4.36 0.15 -0.97 -4.60 113.70 108.99 1pu0 s SER 105 Ca 0.61 -0.56 0.22 0.00 0.70 0.00 0.00 55.95 56.92 1pu0 s SER 105 Cb -0.16 0.36 0.54 0.00 -1.71 0.00 0.00 66.02 65.06 1pu0 s SER 105 CO 0.55 -0.74 1.47 0.18 1.20 0.00 0.00 173.24 175.90 1pu0 n LEU 106 N -0.04 3.51 -3.86 3.45 4.77 -1.26 -1.67 117.00 121.90 1pu0 n LEU 106 Ca -0.16 -1.64 -0.10 0.00 -0.03 0.00 0.00 56.01 54.09 1pu0 n LEU 106 Cb 0.62 -0.35 -0.06 0.00 -2.33 0.00 0.00 43.42 41.30 1pu0 n LEU 106 CO 0.21 0.82 0.08 -0.94 -1.33 0.00 0.00 177.39 176.24 1pu0 s SER 107 N -1.25 -0.07 0.07 -1.43 1.04 -1.26 -4.78 113.70 106.02 1pu0 s SER 107 Ca 0.42 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 56.16 1pu0 s SER 107 Cb 0.23 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.83 1pu0 s SER 107 CO 0.31 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 174.21 1pu0 n GLY 108 N -0.25 -0.35 0.11 7.32 0.00 -1.26 -4.26 105.19 106.50 1pu0 n GLY 108 Ca -0.09 -1.09 -0.17 0.00 0.00 0.00 0.00 46.02 44.67 1pu0 n GLY 108 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1pu0 h ASP 109 N 7.80 0.46 -0.25 1.61 3.58 -2.00 -3.25 116.42 124.36 1pu0 h ASP 109 Ca 0.00 -0.51 -0.06 0.00 0.42 0.00 0.00 57.03 56.88 1pu0 h ASP 109 Cb 0.00 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 40.86 1pu0 h ASP 109 CO 0.00 1.40 0.08 1.41 -2.88 0.00 0.00 179.24 179.25 1pu0 n HIS 110 N -3.54 0.85 -2.75 0.28 8.25 -1.26 -4.94 115.22 112.12 1pu0 n HIS 110 Ca -0.10 -0.51 -0.42 0.00 -0.26 0.00 0.00 57.72 56.43 1pu0 n HIS 110 Cb 1.03 -0.33 -0.03 0.00 1.12 0.00 0.00 29.99 31.78 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 4.22 0.33 -2.20 0.00 -5.35 -0.67 -4.91 119.36 110.78 1pu0 n ILE 112 Ca 0.06 -0.67 -0.40 0.00 -0.27 0.00 0.00 62.75 61.48 1pu0 n ILE 112 Cb 0.50 1.14 -0.02 0.00 -1.74 0.00 0.00 39.64 39.51 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 -1.55 2.91 0.00 7.28 1.01 -1.26 -1.65 121.20 127.95 1pu0 s ILE 113 Ca 0.32 0.90 0.00 0.00 0.00 0.00 0.00 60.65 61.87 1pu0 s ILE 113 Cb 0.20 -3.56 0.00 0.00 0.01 0.00 0.00 42.46 39.11 1pu0 s ILE 113 CO 0.29 0.19 0.00 0.61 0.00 0.00 0.00 174.94 176.03 1pu0 n GLY 114 N 0.85 1.13 2.83 6.18 0.00 0.31 -4.98 105.19 111.51 1pu0 n GLY 114 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.00 0.72 -4.80 1.61 1.74 -0.66 -2.60 116.66 110.67 1pu0 n ARG 115 Ca 0.00 -2.27 -0.33 0.00 -0.77 0.00 0.00 57.85 54.48 1pu0 n ARG 115 Cb 0.00 -0.16 -0.14 0.00 -1.02 0.00 0.00 32.46 31.13 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 -1.62 3.03 -0.10 0.55 2.01 -1.11 -0.14 115.64 118.27 1pu0 s THR 116 Ca 0.44 -0.67 -0.19 0.00 0.31 0.00 0.00 61.69 61.57 1pu0 s THR 116 Cb -0.03 -2.26 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 1pu0 s THR 116 CO 0.28 0.53 0.51 -0.22 -0.69 0.00 0.00 174.62 175.03 1pu0 s LEU 117 N 0.26 4.30 -0.03 4.42 2.96 -0.37 0.18 118.68 130.40 1pu0 s LEU 117 Ca -0.09 0.90 0.05 0.00 -0.22 0.00 0.00 54.13 54.76 1pu0 s LEU 117 Cb -0.16 -2.76 -0.01 0.00 0.50 0.00 0.00 46.19 43.77 1pu0 s LEU 117 CO 0.05 0.01 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.23 1pu0 s VAL 118 N 0.50 1.43 -0.04 1.68 1.01 -0.19 -2.01 120.40 122.77 1pu0 s VAL 118 Ca 0.28 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.57 1pu0 s VAL 118 Cb -0.16 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 1pu0 s VAL 118 CO 0.12 0.41 -0.16 0.54 0.00 0.00 0.00 175.10 176.01 1pu0 s VAL 119 N -0.10 2.93 0.39 2.92 0.11 -0.39 -2.07 120.40 124.19 1pu0 s VAL 119 Ca -0.01 -0.78 0.08 0.00 -2.93 0.00 0.00 61.98 58.34 1pu0 s VAL 119 Cb -0.10 -2.14 -0.04 0.00 -1.53 0.00 0.00 36.38 32.58 1pu0 s VAL 119 CO 0.01 0.59 0.26 -1.00 -3.33 0.00 0.00 175.10 171.62 1pu0 s HIS 120 N -0.72 2.70 0.11 1.54 3.76 0.49 -1.56 115.29 121.61 1pu0 s HIS 120 Ca 0.11 -0.47 -0.17 0.00 -0.15 0.00 0.00 55.06 54.38 1pu0 s HIS 120 Cb -0.11 -1.94 -0.04 0.00 1.11 0.00 0.00 32.58 31.60 1pu0 s HIS 120 CO 0.00 0.11 1.59 1.49 -0.85 0.00 0.00 174.74 177.09 1pu0 h GLU 121 N 1.29 0.53 -5.37 1.40 4.81 -0.72 -3.38 114.58 113.14 1pu0 h GLU 121 Ca -0.43 -0.14 -0.63 0.00 -0.13 0.00 0.00 59.36 58.04 1pu0 h GLU 121 Cb 1.26 -0.07 -0.13 0.00 0.63 0.00 0.00 28.75 30.44 1pu0 h GLU 121 CO 0.62 0.61 -0.56 0.15 -0.73 0.00 0.00 179.01 179.10 1pu0 s LYS 122 N -5.23 2.02 0.50 1.92 1.02 0.07 -4.90 119.74 115.13 1pu0 s LYS 122 Ca -0.13 -2.22 -0.23 0.00 0.02 0.00 0.00 55.97 53.41 1pu0 s LYS 122 Cb 0.09 -1.42 -0.06 0.00 -0.52 0.00 0.00 37.83 35.91 1pu0 s LYS 122 CO 0.75 -0.23 1.35 0.00 -0.92 0.00 0.00 175.35 176.30 1pu0 s ALA 123 N -2.88 3.00 -0.17 5.17 0.00 -1.13 -1.07 121.76 124.68 1pu0 s ALA 123 Ca 0.22 1.32 -0.28 0.00 0.00 0.00 0.00 51.96 53.21 1pu0 s ALA 123 Cb 0.06 -3.54 -0.00 0.00 0.00 0.00 0.00 23.12 19.63 1pu0 s ALA 123 CO 0.11 -1.19 0.99 0.34 0.00 0.00 0.00 175.76 176.01 1pu0 s ASP 124 N -0.85 7.13 0.00 0.00 3.68 -1.26 -3.68 116.67 121.68 1pu0 s ASP 124 Ca 0.66 1.40 0.20 0.00 2.13 0.00 0.00 52.55 56.94 1pu0 s ASP 124 Cb -0.40 -2.53 0.97 0.00 -1.45 0.00 0.00 42.92 39.51 1pu0 s ASP 124 CO 0.49 -0.53 1.65 -0.90 0.13 0.00 0.00 175.17 176.01 1pu0 n ASP 125 N 5.60 0.81 -2.27 -0.34 3.85 0.11 -4.88 116.55 119.43 1pu0 n ASP 125 Ca 0.09 -1.54 -0.21 0.00 -0.71 0.00 0.00 54.79 52.42 1pu0 n ASP 125 Cb 0.48 -0.05 -0.02 0.00 -1.35 0.00 0.00 41.12 40.18 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 -0.26 -1.89 0.00 -2.12 4.77 -1.26 -2.05 117.00 114.19 1pu0 n LEU 126 Ca 0.15 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1pu0 n LEU 126 Cb 0.20 -2.91 0.00 0.00 -2.33 0.00 0.00 43.42 38.38 1pu0 n LEU 126 CO 0.12 -0.32 0.00 0.61 -1.33 0.00 0.00 177.39 176.47 1pu0 n GLY 127 N -0.95 0.68 1.43 -0.72 0.00 -1.25 -3.63 105.19 100.75 1pu0 n GLY 127 Ca -0.24 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.59 3.84 0.00 1.61 5.02 -0.87 -4.57 118.16 120.60 1pu0 n LYS 128 Ca 0.00 -2.90 0.15 0.00 -2.02 0.00 0.00 58.31 53.54 1pu0 n LYS 128 Cb 0.00 -1.95 0.70 0.00 -0.02 0.00 0.00 35.03 33.76 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 0.50 -1.06 1.90 0.72 0.00 -1.26 -4.95 105.19 101.04 1pu0 n GLY 129 Ca 0.24 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 1.25 0.49 2.23 -0.02 0.00 -1.26 -4.94 105.19 102.93 1pu0 n GLY 130 Ca 0.15 -0.35 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 1pu0 n GLY 130 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1pu0 n ASN 131 N 0.64 -0.72 0.01 1.61 0.23 -1.26 -5.03 115.26 110.75 1pu0 n ASN 131 Ca 0.00 -2.37 -0.09 0.00 -0.53 0.00 0.00 54.58 51.58 1pu0 n ASN 131 Cb 0.00 1.45 0.05 0.00 -2.08 0.00 0.00 39.78 39.20 1pu0 n ASN 131 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1pu0 h GLU 132 N 0.00 0.53 -0.91 -3.83 4.39 -1.99 -2.82 114.58 109.96 1pu0 h GLU 132 Ca -0.17 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.19 1pu0 h GLU 132 Cb 0.81 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.45 1pu0 h GLU 132 CO 0.24 0.95 0.58 1.49 -1.16 0.00 0.00 179.01 181.12 1pu0 h GLU 133 N 0.41 1.21 -0.59 2.33 4.57 -1.99 -1.88 114.58 118.64 1pu0 h GLU 133 Ca 0.00 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 1pu0 h GLU 133 Cb 1.11 -0.27 -0.03 0.00 -0.16 0.00 0.00 28.75 29.41 1pu0 h GLU 133 CO 0.11 0.81 0.31 1.03 -1.18 0.00 0.00 179.01 180.09 1pu0 h SER 134 N 1.24 0.72 -0.38 1.04 0.87 -1.84 0.60 113.55 115.79 1pu0 h SER 134 Ca 0.33 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 1pu0 h SER 134 Cb -0.11 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.66 1pu0 h SER 134 CO -0.07 0.60 0.00 0.35 -0.53 0.00 0.00 176.83 177.18 1pu0 n THR 135 N -4.38 0.56 -0.03 2.23 -2.24 -0.75 -1.54 114.28 108.13 1pu0 n THR 135 Ca 0.05 -0.53 -0.08 0.00 -2.27 0.00 0.00 64.05 61.23 1pu0 n THR 135 Cb 0.11 0.23 -0.03 0.00 -2.10 0.00 0.00 70.33 68.54 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 0.62 0.23 0.00 -0.78 5.02 -0.71 -1.00 118.16 121.54 1pu0 n LYS 136 Ca 0.13 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 1pu0 n LYS 136 Cb 0.35 -0.89 -0.00 0.00 -0.02 0.00 0.00 35.03 34.46 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 -3.70 0.00 -1.11 -0.18 -2.24 0.12 -4.65 114.28 102.52 1pu0 n THR 137 Ca -0.14 -0.49 -0.04 0.00 -2.27 0.00 0.00 64.05 61.11 1pu0 n THR 137 Cb 0.43 1.01 -0.02 0.00 -2.10 0.00 0.00 70.33 69.66 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 0.67 0.62 2.39 3.38 0.00 -0.59 -3.24 105.19 108.42 1pu0 n GLY 138 Ca 0.00 -0.29 -0.17 0.00 0.00 0.00 0.00 46.02 45.56 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 0.06 -4.95 0.00 1.61 3.02 -1.24 -0.71 115.26 113.04 1pu0 n ASN 139 Ca -0.04 0.18 0.12 0.00 -0.03 0.00 0.00 54.58 54.82 1pu0 n ASN 139 Cb 0.23 -4.24 0.65 0.00 -0.61 0.00 0.00 39.78 35.81 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 -1.17 2.29 -0.27 5.41 0.00 -1.20 -4.71 120.51 120.86 1pu0 n ALA 140 Ca -0.20 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1pu0 n ALA 140 Cb 0.63 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 0.85 -0.19 3.81 0.00 0.00 -1.26 -0.75 105.19 107.64 1pu0 n GLY 141 Ca 0.13 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.83 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 4.40 -0.48 1.61 1.04 -1.26 -4.62 113.70 110.38 1pu0 s SER 142 Ca 0.00 1.22 -0.21 0.00 0.48 0.00 0.00 55.95 57.44 1pu0 s SER 142 Cb 0.00 -1.93 0.04 0.00 0.10 0.00 0.00 66.02 64.23 1pu0 s SER 142 CO 0.00 -2.02 0.72 -0.13 0.98 0.00 0.00 173.24 172.80 1pu0 s ARG 143 N -5.20 3.26 0.01 4.02 0.52 -1.26 -0.43 118.95 119.87 1pu0 s ARG 143 Ca 0.61 -0.46 -0.09 0.00 -0.52 0.00 0.00 55.73 55.27 1pu0 s ARG 143 Cb -0.14 -4.01 -0.31 0.00 0.52 0.00 0.00 34.95 31.01 1pu0 s ARG 143 CO 0.54 -1.19 0.92 -0.07 0.02 0.00 0.00 175.30 175.52 1pu0 h LEU 144 N 10.03 0.58 -7.15 2.53 3.38 -1.59 -3.47 115.31 119.62 1pu0 h LEU 144 Ca -0.26 -0.71 -0.05 0.00 0.09 0.00 0.00 57.88 56.94 1pu0 h LEU 144 Cb 1.09 -0.19 -0.16 0.00 0.09 0.00 0.00 40.66 41.49 1pu0 h LEU 144 CO 0.96 1.58 0.08 0.00 0.09 0.00 0.00 178.44 181.15 1pu0 s ALA 145 N -2.61 -1.42 0.22 1.53 0.00 -1.17 -4.03 121.76 114.29 1pu0 s ALA 145 Ca -0.09 0.66 -0.17 0.00 0.00 0.00 0.00 51.96 52.36 1pu0 s ALA 145 Cb 0.06 0.41 0.02 0.00 0.00 0.00 0.00 23.12 23.61 1pu0 s ALA 145 CO 0.89 -0.53 0.54 0.00 0.00 0.00 0.00 175.76 176.66 1pu0 s GLY 147 N -2.91 -0.53 0.24 0.00 0.00 -0.85 -1.25 107.32 102.02 1pu0 s GLY 147 Ca 0.12 1.09 -0.30 0.00 0.00 0.00 0.00 44.72 45.63 1pu0 s GLY 147 CO 0.01 0.60 0.96 0.14 0.00 0.00 0.00 173.10 174.81 1pu0 s VAL 148 N -2.35 3.99 -0.27 1.40 1.01 -1.26 -1.24 120.40 121.68 1pu0 s VAL 148 Ca -0.03 2.01 -0.26 0.00 0.00 0.00 0.00 61.98 63.70 1pu0 s VAL 148 Cb -0.01 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1pu0 s VAL 148 CO -0.02 0.48 0.91 -0.63 0.00 0.00 0.00 175.10 175.84 1pu0 s ILE 149 N -1.17 4.74 0.20 2.22 1.01 0.80 -4.50 121.20 124.50 1pu0 s ILE 149 Ca 0.42 1.61 0.10 0.00 0.00 0.00 0.00 60.65 62.77 1pu0 s ILE 149 Cb -0.27 -4.22 -0.04 0.00 0.01 0.00 0.00 42.46 37.94 1pu0 s ILE 149 CO 0.33 -0.21 -0.17 -0.83 0.00 0.00 0.00 174.94 174.06 1pu0 s GLY 150 N 1.43 1.73 0.23 6.18 0.00 -0.15 -0.53 107.32 116.21 1pu0 s GLY 150 Ca 0.38 -1.60 -0.30 0.00 0.00 0.00 0.00 44.72 43.19 1pu0 s GLY 150 CO 0.10 -1.64 1.47 -0.42 0.00 0.00 0.00 173.10 172.61 1pu0 s ILE 151 N -1.80 2.65 0.28 0.90 1.01 -1.26 -0.66 121.20 122.32 1pu0 s ILE 151 Ca 0.24 0.52 0.11 0.00 0.00 0.00 0.00 60.65 61.53 1pu0 s ILE 151 Cb -0.08 -3.34 -0.05 0.00 0.01 0.00 0.00 42.46 39.01 1pu0 s ILE 151 CO 0.13 0.07 -0.16 0.00 0.00 0.00 0.00 174.94 174.98 1pu0 s ALA 152 N 0.30 2.83 -2.00 9.38 0.00 -0.49 -4.77 121.76 127.01 1pu0 s ALA 152 Ca 0.62 -1.86 0.12 0.00 0.00 0.00 0.00 51.96 50.85 1pu0 s ALA 152 Cb -0.42 -0.33 0.75 0.00 0.00 0.00 0.00 23.12 23.11 1pu0 s ALA 152 CO 0.40 0.26 1.18 0.94 0.00 0.00 0.00 175.76 178.54