#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 4.64 0.01 0.00 2.01 0.11 -4.97 115.64 117.43 1pu0 s THR 2 Ca 0.00 -0.44 0.01 0.00 0.31 0.00 0.00 61.69 61.57 1pu0 s THR 2 Cb 0.00 -3.11 -0.01 0.00 0.01 0.00 0.00 72.50 69.39 1pu0 s THR 2 CO 0.00 0.36 -0.04 -0.54 -0.69 0.00 0.00 174.62 173.70 1pu0 s LYS 3 N -1.71 0.34 0.22 4.92 1.02 -1.26 -1.27 119.74 122.01 1pu0 s LYS 3 Ca 0.22 -0.26 0.01 0.00 0.02 0.00 0.00 55.97 55.96 1pu0 s LYS 3 Cb -0.12 -0.27 -0.05 0.00 -0.52 0.00 0.00 37.83 36.88 1pu0 s LYS 3 CO 0.13 0.07 0.09 0.00 -0.92 0.00 0.00 175.35 174.72 1pu0 s ALA 4 N -0.38 1.48 0.07 5.17 0.00 -0.81 -1.71 121.76 125.60 1pu0 s ALA 4 Ca -0.01 -1.76 -0.19 0.00 0.00 0.00 0.00 51.96 49.99 1pu0 s ALA 4 Cb -0.03 1.04 0.04 0.00 0.00 0.00 0.00 23.12 24.17 1pu0 s ALA 4 CO -0.00 -0.47 0.46 0.54 0.00 0.00 0.00 175.76 176.28 1pu0 s VAL 5 N -3.85 0.05 -0.13 0.00 0.11 -0.05 -1.22 120.40 115.30 1pu0 s VAL 5 Ca 0.35 -0.39 -0.06 0.00 -2.93 0.00 0.00 61.98 58.95 1pu0 s VAL 5 Cb 0.07 -1.01 0.06 0.00 -1.53 0.00 0.00 36.38 33.97 1pu0 s VAL 5 CO 0.11 -0.21 0.30 0.00 -3.33 0.00 0.00 175.10 171.97 1pu0 s VAL 7 N 1.60 5.02 -0.11 0.00 1.01 -1.26 -0.61 120.40 126.05 1pu0 s VAL 7 Ca -0.07 -0.19 -0.14 0.00 0.00 0.00 0.00 61.98 61.58 1pu0 s VAL 7 Cb -0.10 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 1pu0 s VAL 7 CO -0.10 0.09 0.34 -0.76 0.00 0.00 0.00 175.10 174.67 1pu0 s LEU 8 N 1.69 4.31 0.16 3.92 1.43 0.19 -4.07 118.68 126.31 1pu0 s LEU 8 Ca 0.06 0.66 -0.18 0.00 -1.03 0.00 0.00 54.13 53.64 1pu0 s LEU 8 Cb -0.17 -2.45 0.04 0.00 0.03 0.00 0.00 46.19 43.64 1pu0 s LEU 8 CO 0.09 0.16 0.49 -0.54 0.23 0.00 0.00 176.35 176.78 1pu0 s LYS 9 N 0.01 1.23 0.00 1.70 1.02 -0.38 -2.00 119.74 121.33 1pu0 s LYS 9 Ca 0.20 -0.71 0.00 0.00 0.02 0.00 0.00 55.97 55.47 1pu0 s LYS 9 Cb -0.14 0.52 0.00 0.00 -0.52 0.00 0.00 37.83 37.69 1pu0 s LYS 9 CO 0.07 -0.51 0.00 0.41 -0.92 0.00 0.00 175.35 174.40 1pu0 n GLY 10 N -0.30 3.35 0.09 -3.33 0.00 -1.25 -0.71 105.19 103.04 1pu0 n GLY 10 Ca -0.14 -0.71 -0.03 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.09 1.61 3.32 -1.92 -3.47 116.42 115.87 1pu0 h ASP 11 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1pu0 h ASP 11 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1pu0 h ASP 11 CO 0.00 0.76 0.00 0.61 -1.72 0.00 0.00 179.24 178.89 1pu0 n GLY 12 N 1.36 1.80 0.34 2.75 0.00 -1.26 -4.99 105.19 105.18 1pu0 n GLY 12 Ca -0.04 -1.87 0.14 0.00 0.00 0.00 0.00 46.02 44.25 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 1.37 -2.73 1.61 -0.04 -1.26 -4.89 135.00 129.05 1pu0 n PRO 13 Ca 0.00 -0.68 -0.42 0.00 -0.04 0.00 0.00 63.50 62.36 1pu0 n PRO 13 Cb 0.00 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 31.94 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 -2.10 4.72 -0.00 0.52 1.01 -1.26 -4.35 120.40 118.94 1pu0 s VAL 14 Ca 0.37 2.05 -0.28 0.00 0.00 0.00 0.00 61.98 64.12 1pu0 s VAL 14 Cb 0.21 -4.31 0.09 0.00 0.00 0.00 0.00 36.38 32.37 1pu0 s VAL 14 CO 0.38 0.23 0.81 0.00 0.00 0.00 0.00 175.10 176.51 1pu0 s GLN 15 N 0.58 0.92 0.00 2.72 -2.07 -0.76 -3.88 119.66 117.17 1pu0 s GLN 15 Ca 0.49 -0.17 0.00 0.00 -1.82 0.00 0.00 55.36 53.86 1pu0 s GLN 15 Cb -0.22 0.43 0.00 0.00 -1.09 0.00 0.00 33.01 32.13 1pu0 s GLN 15 CO 0.28 -0.37 0.00 0.41 -1.32 0.00 0.00 175.29 174.29 1pu0 n GLY 16 N 0.08 -0.94 2.99 2.60 0.00 -0.85 -0.42 105.19 108.65 1pu0 n GLY 16 Ca -0.13 -1.00 -0.24 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.00 1.00 -0.11 -0.61 1.01 -0.74 0.56 121.20 120.32 1pu0 s ILE 17 Ca 0.00 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.27 1pu0 s ILE 17 Cb 0.00 -0.94 0.02 0.00 0.01 0.00 0.00 42.46 41.55 1pu0 s ILE 17 CO 0.00 0.33 -0.14 -0.63 0.00 0.00 0.00 174.94 174.50 1pu0 s ILE 18 N 0.76 1.41 0.09 2.92 -1.09 0.22 -1.78 121.20 123.73 1pu0 s ILE 18 Ca -0.13 -0.58 -0.00 0.00 -2.23 0.00 0.00 60.65 57.70 1pu0 s ILE 18 Cb -0.15 -1.30 -0.04 0.00 -1.58 0.00 0.00 42.46 39.39 1pu0 s ILE 18 CO 0.02 0.42 0.25 0.20 -1.23 0.00 0.00 174.94 174.61 1pu0 s ASN 19 N 1.05 6.37 -0.01 3.58 0.01 0.11 -0.78 114.94 125.28 1pu0 s ASN 19 Ca -0.06 0.30 0.04 0.00 -0.71 0.00 0.00 52.86 52.43 1pu0 s ASN 19 Cb -0.15 -1.97 -0.01 0.00 0.41 0.00 0.00 41.25 39.53 1pu0 s ASN 19 CO -0.02 0.13 -0.13 -0.36 -1.51 0.00 0.00 177.10 175.21 1pu0 s PHE 20 N -1.58 1.17 -0.09 2.20 0.08 -0.36 -1.51 117.98 117.89 1pu0 s PHE 20 Ca 0.36 -0.23 -0.07 0.00 0.12 0.00 0.00 56.93 57.11 1pu0 s PHE 20 Cb -0.13 -0.75 0.03 0.00 -0.57 0.00 0.00 43.02 41.61 1pu0 s PHE 20 CO 0.28 -0.02 0.22 -2.00 -0.10 0.00 0.00 175.22 173.60 1pu0 s GLU 21 N -0.36 0.23 -0.28 0.44 2.12 -0.28 -1.92 118.70 118.66 1pu0 s GLU 21 Ca 0.05 0.38 -0.04 0.00 0.36 0.00 0.00 54.97 55.72 1pu0 s GLU 21 Cb -0.05 0.03 0.10 0.00 0.26 0.00 0.00 34.13 34.46 1pu0 s GLU 21 CO -0.00 -0.08 0.12 -1.14 -0.54 0.00 0.00 175.26 173.62 1pu0 s GLN 22 N 0.55 0.25 0.22 4.30 0.74 -0.39 -1.17 119.66 124.15 1pu0 s GLN 22 Ca -0.04 -0.55 0.04 0.00 0.05 0.00 0.00 55.36 54.86 1pu0 s GLN 22 Cb -0.05 -1.34 0.19 0.00 1.10 0.00 0.00 33.01 32.91 1pu0 s GLN 22 CO -0.03 -0.98 1.52 0.87 -0.55 0.00 0.00 175.29 176.12 1pu0 h LYS 23 N 8.37 0.22 -5.44 1.67 1.79 -1.83 0.36 116.57 121.71 1pu0 h LYS 23 Ca -0.19 -0.17 -0.64 0.00 -2.18 0.00 0.00 60.65 57.47 1pu0 h LYS 23 Cb 1.03 0.03 -0.17 0.00 -1.58 0.00 0.00 32.23 31.54 1pu0 h LYS 23 CO 0.43 0.81 -0.60 -1.21 -1.08 0.00 0.00 179.45 177.79 1pu0 s GLU 24 N -3.62 3.66 0.08 3.15 2.02 -1.26 -2.22 118.70 120.50 1pu0 s GLU 24 Ca -0.04 -0.40 -0.15 0.00 0.02 0.00 0.00 54.97 54.40 1pu0 s GLU 24 Cb 0.12 -3.03 -0.03 0.00 0.10 0.00 0.00 34.13 31.28 1pu0 s GLU 24 CO 0.80 0.37 0.79 0.45 0.02 0.00 0.00 175.26 177.70 1pu0 n SER 25 N 3.18 -0.50 -2.10 -0.19 2.88 -1.26 0.78 113.62 116.41 1pu0 n SER 25 Ca -0.17 0.91 -0.24 0.00 -1.33 0.00 0.00 58.87 58.04 1pu0 n SER 25 Cb 0.53 -0.14 0.02 0.00 -0.75 0.00 0.00 64.21 63.87 1pu0 n SER 25 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1pu0 n ASN 26 N -4.42 4.80 -2.53 -3.46 3.02 -1.26 -4.64 115.26 106.76 1pu0 n ASN 26 Ca 0.01 -3.70 -0.07 0.00 -0.03 0.00 0.00 54.58 50.79 1pu0 n ASN 26 Cb 0.12 -0.36 0.05 0.00 -0.61 0.00 0.00 39.78 38.98 1pu0 n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pu0 n GLY 27 N -0.68 -0.84 3.78 7.41 0.00 0.23 -5.04 105.19 110.06 1pu0 n GLY 27 Ca 0.42 -1.74 -0.34 0.00 0.00 0.00 0.00 46.02 44.37 1pu0 n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pu0 s PRO 28 N -3.62 3.13 -0.18 1.61 0.04 -1.26 -4.88 135.00 129.84 1pu0 s PRO 28 Ca 0.19 1.44 -0.04 0.00 0.04 0.00 0.00 61.00 62.63 1pu0 s PRO 28 Cb -0.01 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 1pu0 s PRO 28 CO 0.13 -1.00 -0.03 0.08 0.04 0.00 0.00 177.00 176.22 1pu0 s VAL 29 N -2.14 3.78 -0.06 -0.36 1.01 0.57 -4.41 120.40 118.79 1pu0 s VAL 29 Ca 0.68 -0.38 -0.25 0.00 0.00 0.00 0.00 61.98 62.03 1pu0 s VAL 29 Cb -0.21 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 1pu0 s VAL 29 CO 0.34 0.47 0.78 -0.75 0.00 0.00 0.00 175.10 175.94 1pu0 s LYS 30 N 0.70 4.45 -0.16 2.72 2.20 -0.32 -0.75 119.74 128.59 1pu0 s LYS 30 Ca -0.02 1.02 0.01 0.00 -0.36 0.00 0.00 55.97 56.62 1pu0 s LYS 30 Cb -0.14 -3.47 0.02 0.00 -1.51 0.00 0.00 37.83 32.73 1pu0 s LYS 30 CO 0.02 -0.01 -0.16 0.08 -0.36 0.00 0.00 175.35 174.92 1pu0 s VAL 31 N 1.02 1.70 0.08 4.02 1.01 0.13 -1.13 120.40 127.23 1pu0 s VAL 31 Ca 0.41 -0.71 -0.22 0.00 0.00 0.00 0.00 61.98 61.45 1pu0 s VAL 31 Cb -0.18 -1.57 0.06 0.00 0.00 0.00 0.00 36.38 34.68 1pu0 s VAL 31 CO 0.20 0.48 0.54 -1.66 0.00 0.00 0.00 175.10 174.66 1pu0 s TRP 32 N 1.42 -0.45 -5.00 5.22 -2.14 -0.57 -0.06 118.94 117.37 1pu0 s TRP 32 Ca 0.05 0.41 0.00 0.00 2.66 0.00 0.00 56.10 59.22 1pu0 s TRP 32 Cb -0.13 0.40 0.00 0.00 -3.10 0.00 0.00 33.47 30.64 1pu0 s TRP 32 CO -0.11 -0.71 0.00 0.41 -2.66 0.00 0.00 176.95 173.88 1pu0 n GLY 33 N 0.14 -0.25 2.95 3.67 0.00 -0.84 0.09 105.19 110.95 1pu0 n GLY 33 Ca -0.18 -1.11 -0.11 0.00 0.00 0.00 0.00 46.02 44.62 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 0.09 -0.07 1.61 0.15 -0.73 -0.26 113.70 110.48 1pu0 s SER 34 Ca 0.00 -0.20 0.02 0.00 0.70 0.00 0.00 55.95 56.47 1pu0 s SER 34 Cb 0.00 0.09 0.02 0.00 -1.71 0.00 0.00 66.02 64.42 1pu0 s SER 34 CO 0.00 -0.16 -0.11 -0.63 1.20 0.00 0.00 173.24 173.54 1pu0 s ILE 35 N -0.73 1.07 0.47 6.45 1.01 0.10 -1.80 121.20 127.77 1pu0 s ILE 35 Ca -0.08 -0.43 0.04 0.00 0.00 0.00 0.00 60.65 60.18 1pu0 s ILE 35 Cb -0.05 -0.99 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 1pu0 s ILE 35 CO -0.00 0.34 0.02 -1.59 0.00 0.00 0.00 174.94 173.71 1pu0 s LYS 36 N 0.79 2.11 0.00 2.79 -2.85 0.44 -0.46 119.74 122.55 1pu0 s LYS 36 Ca -0.12 -2.26 0.00 0.00 -1.00 0.00 0.00 55.97 52.59 1pu0 s LYS 36 Cb -0.15 -1.60 0.00 0.00 -2.06 0.00 0.00 37.83 34.01 1pu0 s LYS 36 CO 0.02 -0.24 0.00 0.41 0.10 0.00 0.00 175.35 175.64 1pu0 n GLY 37 N -1.16 0.75 3.87 0.59 0.00 -1.03 -1.83 105.19 106.39 1pu0 n GLY 37 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 4.00 0.41 0.99 1.43 -0.63 -4.39 118.68 120.49 1pu0 s LEU 38 Ca 0.00 1.06 -0.26 0.00 -1.03 0.00 0.00 54.13 53.90 1pu0 s LEU 38 Cb 0.00 -3.88 -0.09 0.00 0.03 0.00 0.00 46.19 42.25 1pu0 s LEU 38 CO 0.00 -0.25 1.36 0.42 0.23 0.00 0.00 176.35 178.11 1pu0 s THR 39 N -2.11 2.40 0.52 5.49 -4.23 -1.26 -3.96 115.64 112.49 1pu0 s THR 39 Ca 0.50 0.37 -0.22 0.00 -1.18 0.00 0.00 61.69 61.16 1pu0 s THR 39 Cb -0.11 -3.22 -0.06 0.00 1.34 0.00 0.00 72.50 70.46 1pu0 s THR 39 CO 0.25 0.06 1.29 -1.83 -0.54 0.00 0.00 174.62 173.85 1pu0 s GLU 40 N -2.28 3.33 0.00 3.99 -1.05 -1.26 -4.65 118.70 116.78 1pu0 s GLU 40 Ca 0.58 2.07 0.00 0.00 -0.15 0.00 0.00 54.97 57.46 1pu0 s GLU 40 Cb -0.41 -2.29 0.00 0.00 -0.44 0.00 0.00 34.13 31.00 1pu0 s GLU 40 CO 0.52 -0.99 0.00 0.41 0.95 0.00 0.00 175.26 176.16 1pu0 n GLY 41 N 0.63 -0.30 3.76 -3.83 0.00 0.05 -4.91 105.19 100.59 1pu0 n GLY 41 Ca 0.10 -2.22 -0.40 0.00 0.00 0.00 0.00 46.02 43.50 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 4.52 -0.03 0.99 1.02 -1.26 -0.43 118.68 123.50 1pu0 s LEU 42 Ca 0.00 1.58 0.01 0.00 0.02 0.00 0.00 54.13 55.74 1pu0 s LEU 42 Cb 0.00 -3.30 0.02 0.00 0.02 0.00 0.00 46.19 42.93 1pu0 s LEU 42 CO 0.00 0.10 -0.03 -1.00 0.02 0.00 0.00 176.35 175.44 1pu0 s HIS 43 N -0.57 0.54 0.66 0.29 3.76 -0.18 -2.48 115.29 117.31 1pu0 s HIS 43 Ca 0.38 -0.11 -0.18 0.00 -0.15 0.00 0.00 55.06 55.01 1pu0 s HIS 43 Cb -0.22 -0.50 -0.00 0.00 1.11 0.00 0.00 32.58 32.97 1pu0 s HIS 43 CO 0.25 -0.13 1.27 0.20 -0.85 0.00 0.00 174.74 175.48 1pu0 s GLY 44 N 0.73 2.75 -0.23 -2.22 0.00 0.53 -1.36 107.32 107.52 1pu0 s GLY 44 Ca -0.09 1.14 -0.03 0.00 0.00 0.00 0.00 44.72 45.74 1pu0 s GLY 44 CO -0.00 1.56 0.28 -0.12 0.00 0.00 0.00 173.10 174.81 1pu0 s PHE 45 N -1.52 -0.47 0.04 1.90 5.36 -0.53 -0.78 117.98 121.99 1pu0 s PHE 45 Ca 0.81 0.30 -0.01 0.00 -0.96 0.00 0.00 56.93 57.07 1pu0 s PHE 45 Cb -0.35 -0.28 -0.03 0.00 -0.34 0.00 0.00 43.02 42.02 1pu0 s PHE 45 CO 0.40 -0.70 -0.02 -1.01 -1.46 0.00 0.00 175.22 172.43 1pu0 s HIS 46 N 2.39 0.42 -0.22 10.12 3.76 -1.01 -1.82 115.29 128.94 1pu0 s HIS 46 Ca 0.09 -0.87 -0.20 0.00 -0.15 0.00 0.00 55.06 53.94 1pu0 s HIS 46 Cb -0.15 -0.31 -0.03 0.00 1.11 0.00 0.00 32.58 33.20 1pu0 s HIS 46 CO -0.18 -0.32 0.58 0.08 -0.85 0.00 0.00 174.74 174.06 1pu0 s VAL 47 N -3.09 5.05 0.34 -0.90 1.01 0.44 -1.55 120.40 121.70 1pu0 s VAL 47 Ca -0.01 1.07 0.05 0.00 0.00 0.00 0.00 61.98 63.09 1pu0 s VAL 47 Cb 0.02 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 1pu0 s VAL 47 CO -0.07 0.11 0.49 -1.00 0.00 0.00 0.00 175.10 174.63 1pu0 s HIS 48 N 1.97 3.22 0.13 5.22 3.76 0.19 -0.61 115.29 129.17 1pu0 s HIS 48 Ca 0.26 -0.08 -0.17 0.00 -0.15 0.00 0.00 55.06 54.92 1pu0 s HIS 48 Cb -0.16 -1.96 -0.01 0.00 1.11 0.00 0.00 32.58 31.56 1pu0 s HIS 48 CO 0.10 0.03 1.70 1.49 -0.85 0.00 0.00 174.74 177.20 1pu0 h GLU 49 N 0.86 0.53 -5.94 1.40 4.81 -0.00 -2.86 114.58 113.38 1pu0 h GLU 49 Ca -0.47 -0.08 -0.68 0.00 -0.13 0.00 0.00 59.36 58.00 1pu0 h GLU 49 Cb 1.25 -0.09 -0.15 0.00 0.63 0.00 0.00 28.75 30.38 1pu0 h GLU 49 CO 0.55 0.49 -0.62 -0.06 -0.73 0.00 0.00 179.01 178.64 1pu0 s PHE 50 N -5.68 3.16 -0.49 0.92 0.08 -0.61 -4.65 117.98 110.72 1pu0 s PHE 50 Ca -0.13 0.17 -0.05 0.00 0.12 0.00 0.00 56.93 57.04 1pu0 s PHE 50 Cb 0.10 -1.80 -0.04 0.00 -0.57 0.00 0.00 43.02 40.70 1pu0 s PHE 50 CO 0.74 0.44 3.00 0.41 -0.10 0.00 0.00 175.22 179.72 1pu0 n GLY 51 N 2.22 4.03 3.20 4.36 0.00 -0.98 -3.59 105.19 114.43 1pu0 n GLY 51 Ca -0.19 -1.67 -0.35 0.00 0.00 0.00 0.00 46.02 43.81 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 0.98 4.42 -0.12 1.61 3.68 -1.26 -4.95 116.67 121.03 1pu0 s ASP 52 Ca 0.62 -0.90 0.15 0.00 2.13 0.00 0.00 52.55 54.54 1pu0 s ASP 52 Cb 0.33 -1.68 0.48 0.00 -1.45 0.00 0.00 42.92 40.59 1pu0 s ASP 52 CO -0.13 -0.14 1.39 -3.20 0.13 0.00 0.00 175.17 173.22 1pu0 n ASN 53 N 4.67 3.68 0.22 -0.34 4.05 -1.26 -2.41 115.26 123.88 1pu0 n ASN 53 Ca -0.16 -2.64 0.07 0.00 0.45 0.00 0.00 54.58 52.30 1pu0 n ASN 53 Cb 0.47 -0.45 0.52 0.00 1.23 0.00 0.00 39.78 41.55 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 2.09 0.94 -0.51 -0.44 1.35 -1.93 -1.73 112.91 112.67 1pu0 h THR 54 Ca 0.00 -0.88 -0.24 0.00 -0.55 0.00 0.00 66.41 64.74 1pu0 h THR 54 Cb 1.23 1.51 -0.14 0.00 -1.73 0.00 0.00 68.15 69.01 1pu0 h THR 54 CO 0.16 0.23 0.11 0.00 -0.25 0.00 0.00 175.52 175.77 1pu0 n ALA 55 N -2.39 4.49 0.00 6.62 0.00 -1.26 -5.06 120.51 122.91 1pu0 n ALA 55 Ca -0.02 -2.97 0.00 0.00 0.00 0.00 0.00 53.44 50.46 1pu0 n ALA 55 Cb 0.32 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.02 -1.97 0.21 0.00 0.00 -0.65 -3.92 105.19 97.83 1pu0 n GLY 56 Ca 0.38 -1.51 0.14 0.00 0.00 0.00 0.00 46.02 45.03 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 1.10 0.00 0.00 2.02 -1.90 -2.04 112.91 112.10 1pu0 h THR 58 Ca 0.00 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.98 1pu0 h THR 58 Cb 0.04 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1pu0 h THR 58 CO 0.00 0.10 0.00 -1.20 0.37 0.00 0.00 175.52 174.79 1pu0 n SER 59 N -4.47 0.00 0.00 4.18 7.64 -0.91 -3.14 113.62 116.92 1pu0 n SER 59 Ca 0.03 0.14 0.08 0.00 1.01 0.00 0.00 58.87 60.13 1pu0 n SER 59 Cb 0.06 -0.35 0.37 0.00 -1.01 0.00 0.00 64.21 63.28 1pu0 n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pu0 n ALA 60 N -1.35 1.79 -0.01 -0.43 0.00 -0.77 -4.49 120.51 115.25 1pu0 n ALA 60 Ca 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1pu0 n ALA 60 Cb 0.18 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.37 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 0.18 -1.40 2.82 0.00 0.00 -1.19 -1.57 105.19 104.04 1pu0 n GLY 61 Ca 0.05 -1.29 -0.18 0.00 0.00 0.00 0.00 46.02 44.60 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 0.00 -0.22 -1.76 1.61 -0.04 -1.26 -4.71 135.00 128.62 1pu0 n PRO 62 Ca 0.00 -1.84 -0.40 0.00 -0.04 0.00 0.00 63.50 61.22 1pu0 n PRO 62 Cb 0.00 -0.64 0.01 0.00 -0.04 0.00 0.00 33.50 32.84 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 -2.72 2.74 -2.17 0.54 8.25 -1.26 0.30 115.22 120.91 1pu0 n HIS 63 Ca 0.12 0.45 -0.42 0.00 -0.26 0.00 0.00 57.72 57.60 1pu0 n HIS 63 Cb 0.43 -2.48 -0.03 0.00 1.12 0.00 0.00 29.99 29.04 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 -1.17 2.46 -0.43 4.41 5.99 0.21 -4.48 117.98 124.99 1pu0 s PHE 64 Ca 0.59 0.58 0.08 0.00 0.00 0.00 0.00 56.93 58.17 1pu0 s PHE 64 Cb -0.46 -3.74 0.28 0.00 0.00 0.00 0.00 43.02 39.09 1pu0 s PHE 64 CO 0.60 -2.92 0.77 -1.71 -0.00 0.00 0.00 175.22 171.96 1pu0 n ASN 65 N 6.42 -1.04 -0.05 6.13 5.15 -1.26 -1.65 115.26 128.95 1pu0 n ASN 65 Ca 0.15 -3.10 -0.02 0.00 -0.60 0.00 0.00 54.58 51.01 1pu0 n ASN 65 Cb 0.43 0.53 0.23 0.00 -0.53 0.00 0.00 39.78 40.44 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 3.65 0.64 0.00 1.20 0.13 -1.93 -2.05 132.00 133.65 1pu0 h PRO 66 Ca -0.02 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1pu0 h PRO 66 Cb 0.98 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1pu0 h PRO 66 CO 0.37 0.67 0.00 1.28 -0.23 0.00 0.00 178.00 180.10 1pu0 n LEU 67 N -4.24 0.00 -3.67 1.56 4.77 -1.26 -4.91 117.00 109.24 1pu0 n LEU 67 Ca 0.02 0.15 -0.21 0.00 -0.03 0.00 0.00 56.01 55.94 1pu0 n LEU 67 Cb 0.28 -0.15 0.04 0.00 -2.33 0.00 0.00 43.42 41.26 1pu0 n LEU 67 CO 0.40 -0.00 -0.05 -1.20 -1.33 0.00 0.00 177.39 175.21 1pu0 n SER 68 N -1.15 -1.23 -4.54 -1.43 7.64 -0.77 -5.00 113.62 107.14 1pu0 n SER 68 Ca 0.18 -0.80 -0.20 0.00 1.01 0.00 0.00 58.87 59.07 1pu0 n SER 68 Cb 0.17 -4.16 0.09 0.00 -1.01 0.00 0.00 64.21 59.30 1pu0 n SER 68 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1pu0 n ARG 69 N -4.25 0.28 -3.40 1.43 5.12 -1.26 -5.13 116.66 109.44 1pu0 n ARG 69 Ca -0.30 -2.70 -0.22 0.00 -1.93 0.00 0.00 57.85 52.70 1pu0 n ARG 69 Cb 0.68 -0.42 -0.01 0.00 -1.16 0.00 0.00 32.46 31.55 1pu0 n ARG 69 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1pu0 s LYS 70 N -4.68 3.30 0.42 5.56 -0.14 -1.26 -4.75 119.74 118.20 1pu0 s LYS 70 Ca 0.59 -0.57 -0.26 0.00 -1.36 0.00 0.00 55.97 54.37 1pu0 s LYS 70 Cb -0.04 -2.71 -0.09 0.00 -1.68 0.00 0.00 37.83 33.32 1pu0 s LYS 70 CO 0.38 0.08 1.35 -1.58 -0.76 0.00 0.00 175.35 174.82 1pu0 s HIS 71 N -2.29 2.69 0.00 3.18 5.65 -0.25 -3.02 115.29 121.25 1pu0 s HIS 71 Ca 0.42 1.35 0.00 0.00 0.25 0.00 0.00 55.06 57.08 1pu0 s HIS 71 Cb -0.10 -3.76 0.00 0.00 -1.18 0.00 0.00 32.58 27.54 1pu0 s HIS 71 CO 0.34 -2.41 0.00 0.41 -0.65 0.00 0.00 174.74 172.44 1pu0 n GLY 72 N 0.63 2.80 3.97 1.59 0.00 -1.25 -4.36 105.19 108.56 1pu0 n GLY 72 Ca 0.04 -0.92 -0.22 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.40 1.61 0.59 -0.02 0.00 -1.19 -4.65 107.32 103.26 1pu0 s GLY 73 Ca 0.00 -1.20 0.29 0.00 0.00 0.00 0.00 44.72 43.81 1pu0 s GLY 73 CO 0.00 -1.04 2.13 -0.56 0.00 0.00 0.00 173.10 173.62 1pu0 h PRO 74 N 0.50 0.00 -0.01 2.90 0.13 -1.87 -0.71 132.00 132.94 1pu0 h PRO 74 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1pu0 h PRO 74 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1pu0 h PRO 74 CO 0.55 0.00 -0.19 1.63 -0.23 0.00 0.00 178.00 179.76 1pu0 n LYS 75 N -3.81 0.97 -3.22 0.86 5.02 -1.26 -4.86 118.16 111.86 1pu0 n LYS 75 Ca 0.01 -0.54 -0.39 0.00 -2.02 0.00 0.00 58.31 55.37 1pu0 n LYS 75 Cb 0.28 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.75 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 -2.40 6.82 0.21 4.39 -0.00 -0.28 -4.96 116.67 120.45 1pu0 s ASP 76 Ca 0.28 0.98 -0.13 0.00 -0.00 0.00 0.00 52.55 53.68 1pu0 s ASP 76 Cb 0.20 -2.34 0.25 0.00 -0.00 0.00 0.00 42.92 41.03 1pu0 s ASP 76 CO 0.48 -0.01 1.64 1.05 -0.00 0.00 0.00 175.17 178.33 1pu0 h GLU 77 N 6.52 0.03 -5.29 8.23 9.09 -1.89 -3.24 114.58 128.03 1pu0 h GLU 77 Ca -0.42 -0.00 -0.66 0.00 0.05 0.00 0.00 59.36 58.32 1pu0 h GLU 77 Cb 1.19 -0.01 -0.16 0.00 -1.65 0.00 0.00 28.75 28.12 1pu0 h GLU 77 CO 0.74 0.02 0.92 -2.00 0.05 0.00 0.00 179.01 178.74 1pu0 s GLU 78 N -6.21 3.53 0.03 1.06 2.56 -1.26 -4.94 118.70 113.48 1pu0 s GLU 78 Ca -0.14 -1.51 -0.09 0.00 0.00 0.00 0.00 54.97 53.23 1pu0 s GLU 78 Cb 0.19 -4.90 0.00 0.00 2.00 0.00 0.00 34.13 31.42 1pu0 s GLU 78 CO 0.73 -1.86 0.19 -0.98 -0.56 0.00 0.00 175.26 172.78 1pu0 s ARG 79 N 3.31 0.67 0.42 4.30 1.70 -1.20 -3.94 118.95 124.20 1pu0 s ARG 79 Ca 0.34 -0.60 -0.25 0.00 -0.47 0.00 0.00 55.73 54.75 1pu0 s ARG 79 Cb -0.06 0.28 -0.08 0.00 -0.57 0.00 0.00 34.95 34.52 1pu0 s ARG 79 CO -0.07 -0.19 1.26 -1.01 -1.08 0.00 0.00 175.30 174.21 1pu0 s HIS 80 N -2.41 2.86 0.52 5.89 3.76 -1.17 -4.70 115.29 120.04 1pu0 s HIS 80 Ca -0.06 1.46 0.26 0.00 -0.15 0.00 0.00 55.06 56.57 1pu0 s HIS 80 Cb -0.02 -3.58 1.39 0.00 1.11 0.00 0.00 32.58 31.48 1pu0 s HIS 80 CO -0.03 -1.88 1.95 0.28 -0.85 0.00 0.00 174.74 174.21 1pu0 h VAL 81 N 2.32 0.67 -0.02 -0.90 2.07 -1.83 -1.66 116.25 116.91 1pu0 h VAL 81 Ca -0.49 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1pu0 h VAL 81 Cb 1.25 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1pu0 h VAL 81 CO 0.62 0.01 0.00 0.61 0.02 0.00 0.00 177.57 178.83 1pu0 n GLY 82 N -1.65 0.04 3.59 2.17 0.00 -0.66 -4.27 105.19 104.41 1pu0 n GLY 82 Ca 0.13 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.99 6.09 -0.16 1.61 1.01 -0.63 -0.42 116.67 122.19 1pu0 s ASP 83 Ca 0.38 0.85 0.17 0.00 0.71 0.00 0.00 52.55 54.66 1pu0 s ASP 83 Cb 0.21 -2.54 0.43 0.00 1.01 0.00 0.00 42.92 42.03 1pu0 s ASP 83 CO 0.33 -1.63 1.30 0.18 0.21 0.00 0.00 175.17 175.57 1pu0 n LEU 84 N 9.67 3.22 0.00 1.23 4.77 -0.76 -4.01 117.00 131.13 1pu0 n LEU 84 Ca 0.18 -3.08 0.00 0.00 -0.03 0.00 0.00 56.01 53.08 1pu0 n LEU 84 Cb 0.48 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1pu0 n LEU 84 CO 0.70 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 178.08 1pu0 n GLY 85 N -0.93 1.21 3.33 -0.72 0.00 -1.21 -4.80 105.19 102.07 1pu0 n GLY 85 Ca 0.19 -0.61 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 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 2.98 0.20 1.61 0.01 -1.26 -1.45 114.94 113.03 1pu0 s ASN 86 Ca 0.00 -0.63 0.05 0.00 -0.71 0.00 0.00 52.86 51.58 1pu0 s ASN 86 Cb 0.00 -0.24 -0.04 0.00 0.41 0.00 0.00 41.25 41.39 1pu0 s ASN 86 CO 0.00 0.19 0.20 0.68 -1.51 0.00 0.00 177.10 176.66 1pu0 s VAL 87 N -0.91 4.66 -0.19 1.60 -7.23 -0.46 -4.89 120.40 112.97 1pu0 s VAL 87 Ca 0.11 -1.14 0.00 0.00 -1.81 0.00 0.00 61.98 59.14 1pu0 s VAL 87 Cb -0.10 -3.45 0.02 0.00 0.56 0.00 0.00 36.38 33.41 1pu0 s VAL 87 CO 0.03 -0.21 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.55 1pu0 s THR 88 N -1.91 2.33 -0.02 5.32 2.01 -1.26 -1.01 115.64 121.10 1pu0 s THR 88 Ca 0.32 -0.89 -0.22 0.00 0.31 0.00 0.00 61.69 61.22 1pu0 s THR 88 Cb -0.09 -2.02 -0.05 0.00 0.01 0.00 0.00 72.50 70.35 1pu0 s THR 88 CO 0.25 0.49 0.64 0.00 -0.69 0.00 0.00 174.62 175.31 1pu0 s ALA 89 N 1.32 3.43 1.00 7.40 0.00 0.43 -4.20 121.76 131.14 1pu0 s ALA 89 Ca 0.05 0.09 -0.03 0.00 0.00 0.00 0.00 51.96 52.07 1pu0 s ALA 89 Cb -0.14 -2.83 0.04 0.00 0.00 0.00 0.00 23.12 20.19 1pu0 s ALA 89 CO -0.11 0.07 0.21 -0.40 0.00 0.00 0.00 175.76 175.53 1pu0 n ASP 90 N 3.04 -0.09 0.22 0.00 3.85 -0.18 -0.77 116.55 122.63 1pu0 n ASP 90 Ca -0.05 -1.03 0.15 0.00 -0.71 0.00 0.00 54.79 53.15 1pu0 n ASP 90 Cb 0.51 -0.16 0.70 0.00 -1.35 0.00 0.00 41.12 40.82 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 -0.06 0.11 2.10 -1.97 -0.07 116.57 116.68 1pu0 h LYS 91 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 1pu0 h LYS 91 Cb 0.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.52 1pu0 h LYS 91 CO 0.05 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.25 1pu0 n ASP 92 N -2.67 1.64 0.00 7.07 10.43 -1.26 -4.88 116.55 126.88 1pu0 n ASP 92 Ca 0.00 -1.58 0.00 0.00 2.57 0.00 0.00 54.79 55.78 1pu0 n ASP 92 Cb 0.19 -0.03 0.00 0.00 1.84 0.00 0.00 41.12 43.12 1pu0 n ASP 92 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1pu0 n GLY 93 N 1.18 0.59 3.45 0.44 0.00 -0.04 -4.76 105.19 106.06 1pu0 n GLY 93 Ca 0.18 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 3.82 -0.34 1.61 1.01 -1.26 -1.60 120.40 121.64 1pu0 s VAL 94 Ca 0.00 -0.37 -0.09 0.00 0.00 0.00 0.00 61.98 61.52 1pu0 s VAL 94 Cb 0.00 -2.70 0.02 0.00 0.00 0.00 0.00 36.38 33.70 1pu0 s VAL 94 CO 0.00 0.46 0.15 0.00 0.00 0.00 0.00 175.10 175.71 1pu0 s ALA 95 N 0.74 3.20 -0.37 5.51 0.00 0.39 -1.01 121.76 130.23 1pu0 s ALA 95 Ca -0.01 -1.59 -0.22 0.00 0.00 0.00 0.00 51.96 50.14 1pu0 s ALA 95 Cb -0.14 -2.40 0.01 0.00 0.00 0.00 0.00 23.12 20.58 1pu0 s ALA 95 CO 0.02 -1.17 0.70 -0.51 0.00 0.00 0.00 175.76 174.81 1pu0 s ASP 96 N 1.53 6.46 -0.14 0.00 -0.00 -1.26 -0.72 116.67 122.54 1pu0 s ASP 96 Ca 0.02 0.16 -0.14 0.00 -0.00 0.00 0.00 52.55 52.59 1pu0 s ASP 96 Cb -0.18 -2.36 -0.05 0.00 -0.00 0.00 0.00 42.92 40.33 1pu0 s ASP 96 CO 0.05 -0.69 0.31 -0.69 -0.00 0.00 0.00 175.17 174.15 1pu0 s VAL 97 N 2.91 5.28 -0.27 -1.27 1.01 0.64 -4.85 120.40 123.85 1pu0 s VAL 97 Ca 0.27 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.83 1pu0 s VAL 97 Cb -0.14 -3.64 0.16 0.00 0.00 0.00 0.00 36.38 32.77 1pu0 s VAL 97 CO 0.17 0.42 0.45 -0.55 0.00 0.00 0.00 175.10 175.58 1pu0 s SER 98 N 0.25 -0.21 0.02 3.32 0.15 -1.25 -2.00 113.70 113.98 1pu0 s SER 98 Ca 0.18 0.13 0.01 0.00 0.70 0.00 0.00 55.95 56.97 1pu0 s SER 98 Cb -0.13 1.41 -0.02 0.00 -1.71 0.00 0.00 66.02 65.57 1pu0 s SER 98 CO 0.05 -0.31 -0.05 -0.63 1.20 0.00 0.00 173.24 173.50 1pu0 s ILE 99 N 2.63 0.33 -0.07 6.45 1.01 0.92 -5.01 121.20 127.46 1pu0 s ILE 99 Ca 0.13 -0.76 0.03 0.00 0.00 0.00 0.00 60.65 60.05 1pu0 s ILE 99 Cb -0.14 -0.39 0.01 0.00 0.01 0.00 0.00 42.46 41.95 1pu0 s ILE 99 CO -0.23 -0.29 -0.17 -0.70 0.00 0.00 0.00 174.94 173.56 1pu0 s GLU 100 N -1.11 2.11 -0.00 2.79 2.12 -1.26 0.18 118.70 123.53 1pu0 s GLU 100 Ca -0.09 -0.59 0.01 0.00 0.36 0.00 0.00 54.97 54.66 1pu0 s GLU 100 Cb -0.07 -1.70 -0.00 0.00 0.26 0.00 0.00 34.13 32.61 1pu0 s GLU 100 CO -0.00 0.12 -0.04 0.34 -0.54 0.00 0.00 175.26 175.14 1pu0 s ASP 101 N 0.43 0.46 0.00 -1.70 -1.08 0.07 -4.96 116.67 109.89 1pu0 s ASP 101 Ca -0.13 -0.07 0.11 0.00 -0.52 0.00 0.00 52.55 51.93 1pu0 s ASP 101 Cb -0.15 -0.05 0.13 0.00 -1.46 0.00 0.00 42.92 41.39 1pu0 s ASP 101 CO 0.05 0.05 0.93 -1.54 0.52 0.00 0.00 175.17 175.18 1pu0 n SER 102 N 2.97 2.13 -0.11 -0.34 3.41 -1.26 -0.32 113.62 120.10 1pu0 n SER 102 Ca -0.13 -1.57 -0.16 0.00 -0.26 0.00 0.00 58.87 56.75 1pu0 n SER 102 Cb 0.59 -0.05 -0.13 0.00 -0.26 0.00 0.00 64.21 64.36 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 0.60 1.50 -2.21 -3.33 0.31 -1.26 -4.85 118.33 109.09 1pu0 n VAL 103 Ca 0.08 -0.64 -0.33 0.00 -0.01 0.00 0.00 64.34 63.43 1pu0 n VAL 103 Cb 0.31 -1.23 -0.00 0.00 -0.91 0.00 0.00 33.84 32.00 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 -2.52 3.83 0.05 2.52 -4.36 -1.26 -4.92 121.20 114.54 1pu0 s ILE 104 Ca -0.28 0.95 -0.01 0.00 -0.26 0.00 0.00 60.65 61.05 1pu0 s ILE 104 Cb 0.08 -3.42 -0.04 0.00 1.25 0.00 0.00 42.46 40.34 1pu0 s ILE 104 CO 0.67 -0.44 -0.03 -0.55 0.24 0.00 0.00 174.94 174.83 1pu0 s SER 105 N -2.56 0.50 -0.01 4.36 0.15 -1.04 -4.56 113.70 110.54 1pu0 s SER 105 Ca 0.64 -0.91 0.22 0.00 0.70 0.00 0.00 55.95 56.61 1pu0 s SER 105 Cb -0.16 0.17 0.64 0.00 -1.71 0.00 0.00 66.02 64.96 1pu0 s SER 105 CO 0.32 -0.53 1.53 0.18 1.20 0.00 0.00 173.24 175.94 1pu0 n LEU 106 N 0.38 3.90 -3.61 3.45 4.77 -1.26 -1.68 117.00 122.94 1pu0 n LEU 106 Ca -0.16 -1.95 -0.14 0.00 -0.03 0.00 0.00 56.01 53.73 1pu0 n LEU 106 Cb 0.60 -0.49 -0.06 0.00 -2.33 0.00 0.00 43.42 41.14 1pu0 n LEU 106 CO 0.27 0.95 0.25 -0.94 -1.33 0.00 0.00 177.39 176.58 1pu0 s SER 107 N -0.99 -0.41 0.00 -1.43 1.04 -1.26 -4.82 113.70 105.82 1pu0 s SER 107 Ca 0.48 0.23 0.00 0.00 0.48 0.00 0.00 55.95 57.15 1pu0 s SER 107 Cb 0.25 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.83 1pu0 s SER 107 CO 0.32 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.51 1pu0 n GLY 108 N 0.66 -1.86 0.25 7.32 0.00 -1.26 -4.10 105.19 106.20 1pu0 n GLY 108 Ca -0.19 -1.79 0.17 0.00 0.00 0.00 0.00 46.02 44.22 1pu0 n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pu0 h ASP 109 N 0.00 0.00 -0.34 1.61 3.32 -2.01 -1.76 116.42 117.24 1pu0 h ASP 109 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1pu0 h ASP 109 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1pu0 h ASP 109 CO 0.00 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.93 1pu0 n HIS 110 N -2.72 1.22 -1.82 4.55 8.25 -1.26 -4.96 115.22 118.49 1pu0 n HIS 110 Ca -0.02 -0.84 -0.41 0.00 -0.26 0.00 0.00 57.72 56.19 1pu0 n HIS 110 Cb 0.10 -0.36 -0.02 0.00 1.12 0.00 0.00 29.99 30.83 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 2.17 0.00 -1.94 0.00 -5.35 -0.68 -4.92 119.36 108.64 1pu0 n ILE 112 Ca 0.08 -0.45 -0.41 0.00 -0.27 0.00 0.00 62.75 61.69 1pu0 n ILE 112 Cb 0.38 1.18 -0.02 0.00 -1.74 0.00 0.00 39.64 39.44 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 -1.10 2.47 0.00 7.28 1.01 -1.26 -1.54 121.20 128.05 1pu0 s ILE 113 Ca 0.11 0.40 0.00 0.00 0.00 0.00 0.00 60.65 61.16 1pu0 s ILE 113 Cb 0.09 -3.26 0.00 0.00 0.01 0.00 0.00 42.46 39.30 1pu0 s ILE 113 CO 0.19 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.81 1pu0 n GLY 114 N 2.00 0.91 1.17 6.18 0.00 0.68 -5.00 105.19 111.13 1pu0 n GLY 114 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 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 0.97 -5.08 1.61 1.74 -0.59 -2.32 116.66 111.00 1pu0 n ARG 115 Ca 0.00 -0.96 -0.32 0.00 -0.77 0.00 0.00 57.85 55.80 1pu0 n ARG 115 Cb 0.00 -0.03 -0.16 0.00 -1.02 0.00 0.00 32.46 31.26 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 -0.26 2.45 -0.09 0.55 2.01 -1.08 -0.66 115.64 118.56 1pu0 s THR 116 Ca 0.16 -0.90 -0.16 0.00 0.31 0.00 0.00 61.69 61.09 1pu0 s THR 116 Cb -0.01 -1.95 -0.05 0.00 0.01 0.00 0.00 72.50 70.50 1pu0 s THR 116 CO 0.10 0.56 0.42 -0.22 -0.69 0.00 0.00 174.62 174.79 1pu0 s LEU 117 N -0.01 4.33 -0.01 4.42 2.96 -0.37 0.56 118.68 130.56 1pu0 s LEU 117 Ca -0.07 0.80 0.05 0.00 -0.22 0.00 0.00 54.13 54.70 1pu0 s LEU 117 Cb -0.15 -2.60 -0.01 0.00 0.50 0.00 0.00 46.19 43.93 1pu0 s LEU 117 CO 0.05 0.12 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.33 1pu0 s VAL 118 N 0.08 1.40 -0.09 1.68 1.01 -0.59 -1.89 120.40 122.00 1pu0 s VAL 118 Ca 0.23 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.47 1pu0 s VAL 118 Cb -0.15 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 1pu0 s VAL 118 CO 0.10 0.40 -0.11 0.54 0.00 0.00 0.00 175.10 176.02 1pu0 s VAL 119 N -0.40 3.26 0.31 2.92 0.11 -0.77 -2.40 120.40 123.43 1pu0 s VAL 119 Ca 0.06 -0.62 0.07 0.00 -2.93 0.00 0.00 61.98 58.57 1pu0 s VAL 119 Cb -0.07 -2.33 -0.03 0.00 -1.53 0.00 0.00 36.38 32.42 1pu0 s VAL 119 CO -0.01 0.56 0.27 -1.00 -3.33 0.00 0.00 175.10 171.60 1pu0 s HIS 120 N -0.25 2.97 0.21 1.54 3.76 0.04 -0.83 115.29 122.74 1pu0 s HIS 120 Ca 0.02 -0.24 -0.09 0.00 -0.15 0.00 0.00 55.06 54.59 1pu0 s HIS 120 Cb -0.13 -1.69 0.22 0.00 1.11 0.00 0.00 32.58 32.09 1pu0 s HIS 120 CO 0.03 0.27 1.82 1.49 -0.85 0.00 0.00 174.74 177.50 1pu0 h GLU 121 N 1.30 0.73 -5.14 1.40 4.81 0.34 -3.38 114.58 114.64 1pu0 h GLU 121 Ca -0.46 -0.04 -0.66 0.00 -0.13 0.00 0.00 59.36 58.07 1pu0 h GLU 121 Cb 1.25 -0.16 -0.13 0.00 0.63 0.00 0.00 28.75 30.34 1pu0 h GLU 121 CO 0.59 0.48 -0.51 0.15 -0.73 0.00 0.00 179.01 178.99 1pu0 s LYS 122 N -6.10 2.16 0.44 1.92 1.02 -0.30 -4.91 119.74 113.98 1pu0 s LYS 122 Ca -0.13 -2.38 -0.24 0.00 0.02 0.00 0.00 55.97 53.24 1pu0 s LYS 122 Cb 0.16 -1.35 -0.08 0.00 -0.52 0.00 0.00 37.83 36.04 1pu0 s LYS 122 CO 0.76 -0.40 1.24 0.00 -0.92 0.00 0.00 175.35 176.03 1pu0 s ALA 123 N -2.94 3.09 -0.11 5.17 0.00 -1.03 -0.34 121.76 125.59 1pu0 s ALA 123 Ca 0.07 1.11 -0.28 0.00 0.00 0.00 0.00 51.96 52.86 1pu0 s ALA 123 Cb 0.01 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 1pu0 s ALA 123 CO 0.04 -0.79 0.92 0.34 0.00 0.00 0.00 175.76 176.27 1pu0 s ASP 124 N -1.03 7.14 0.00 0.00 3.68 -1.26 -3.82 116.67 121.37 1pu0 s ASP 124 Ca 0.61 1.40 0.19 0.00 2.13 0.00 0.00 52.55 56.87 1pu0 s ASP 124 Cb -0.34 -2.51 0.95 0.00 -1.45 0.00 0.00 42.92 39.57 1pu0 s ASP 124 CO 0.42 -0.39 1.63 -0.90 0.13 0.00 0.00 175.17 176.07 1pu0 n ASP 125 N 4.89 0.54 -2.10 -0.34 3.85 0.02 -4.89 116.55 118.52 1pu0 n ASP 125 Ca 0.06 -1.54 -0.19 0.00 -0.71 0.00 0.00 54.79 52.42 1pu0 n ASP 125 Cb 0.49 -0.04 -0.01 0.00 -1.35 0.00 0.00 41.12 40.21 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 -0.42 -1.82 -0.07 -2.12 4.77 -1.26 -2.90 117.00 113.18 1pu0 n LEU 126 Ca 0.14 0.01 -0.01 0.00 -0.03 0.00 0.00 56.01 56.13 1pu0 n LEU 126 Cb 0.15 -2.69 -0.00 0.00 -2.33 0.00 0.00 43.42 38.54 1pu0 n LEU 126 CO 0.11 -0.25 -0.01 0.61 -1.33 0.00 0.00 177.39 176.52 1pu0 n GLY 127 N -0.99 0.38 0.00 -0.72 0.00 -1.24 -3.15 105.19 99.47 1pu0 n GLY 127 Ca -0.22 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.93 0.48 0.00 1.61 4.01 -1.14 -4.71 118.16 116.48 1pu0 n LYS 128 Ca -0.01 -0.69 0.05 0.00 -0.51 0.00 0.00 58.31 57.15 1pu0 n LYS 128 Cb 0.29 -0.83 0.21 0.00 -0.51 0.00 0.00 35.03 34.18 1pu0 n LYS 128 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1pu0 n GLY 129 N -0.14 -0.82 2.74 0.72 0.00 -1.26 -4.87 105.19 101.56 1pu0 n GLY 129 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.50 -0.08 3.82 -0.02 0.00 -1.26 -5.01 105.19 102.14 1pu0 n GLY 130 Ca 0.02 -0.07 -0.06 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.64 -0.12 -0.01 1.61 4.22 -1.26 -5.05 114.94 110.69 1pu0 s ASN 131 Ca 0.16 -0.69 -0.24 0.00 -2.14 0.00 0.00 52.86 49.94 1pu0 s ASN 131 Cb -0.07 0.64 -0.18 0.00 1.28 0.00 0.00 41.25 42.92 1pu0 s ASN 131 CO 0.49 -1.22 1.18 -0.33 -2.04 0.00 0.00 177.10 175.18 1pu0 h GLU 132 N 2.00 -0.18 -0.83 3.55 4.39 -1.99 -2.97 114.58 118.55 1pu0 h GLU 132 Ca -0.25 0.01 0.17 0.00 0.34 0.00 0.00 59.36 59.63 1pu0 h GLU 132 Cb 1.24 0.04 -0.11 0.00 -0.10 0.00 0.00 28.75 29.82 1pu0 h GLU 132 CO 0.31 0.22 0.36 1.49 -1.16 0.00 0.00 179.01 180.22 1pu0 h GLU 133 N -0.65 0.46 -0.93 2.33 4.57 -1.99 0.19 114.58 118.56 1pu0 h GLU 133 Ca -0.02 -0.03 0.19 0.00 -1.18 0.00 0.00 59.36 58.33 1pu0 h GLU 133 Cb 0.49 -0.10 -0.11 0.00 -0.16 0.00 0.00 28.75 28.86 1pu0 h GLU 133 CO 0.03 0.30 0.49 1.03 -1.18 0.00 0.00 179.01 179.69 1pu0 h SER 134 N 0.47 0.56 1.19 1.04 0.87 -1.87 0.52 113.55 116.34 1pu0 h SER 134 Ca 0.47 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 61.15 1pu0 h SER 134 Cb 0.78 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 1pu0 h SER 134 CO -0.44 0.15 0.00 0.35 -0.53 0.00 0.00 176.83 176.36 1pu0 n THR 135 N -4.90 0.54 -0.04 2.23 -2.24 0.61 -1.73 114.28 108.76 1pu0 n THR 135 Ca 0.22 -0.11 -0.03 0.00 -2.27 0.00 0.00 64.05 61.86 1pu0 n THR 135 Cb 0.58 -0.70 -0.01 0.00 -2.10 0.00 0.00 70.33 68.11 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 -2.07 0.24 0.00 -0.78 5.02 0.15 -1.09 118.16 119.63 1pu0 n LYS 136 Ca 0.05 0.37 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 1pu0 n LYS 136 Cb 0.36 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 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 -3.52 0.22 -1.15 -0.18 -2.24 0.61 -4.57 114.28 103.45 1pu0 n THR 137 Ca -0.04 -0.51 -0.05 0.00 -2.27 0.00 0.00 64.05 61.18 1pu0 n THR 137 Cb 0.15 1.03 -0.02 0.00 -2.10 0.00 0.00 70.33 69.39 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 -0.11 0.58 2.47 3.38 0.00 -0.71 -2.77 105.19 108.03 1pu0 n GLY 138 Ca 0.00 -0.06 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.81 -5.58 0.00 1.61 3.02 -1.26 -0.80 115.26 111.44 1pu0 n ASN 139 Ca -0.05 0.21 0.10 0.00 -0.03 0.00 0.00 54.58 54.81 1pu0 n ASN 139 Cb 0.46 -4.71 0.62 0.00 -0.61 0.00 0.00 39.78 35.54 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 -0.49 2.32 -0.54 5.41 0.00 -1.12 -4.78 120.51 121.33 1pu0 n ALA 140 Ca -0.22 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1pu0 n ALA 140 Cb 0.67 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 0.39 0.38 3.81 0.00 0.00 -1.26 -1.14 105.19 107.36 1pu0 n GLY 141 Ca 0.16 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 45.02 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 5.65 -0.47 1.61 1.04 -1.26 -4.66 113.70 111.61 1pu0 s SER 142 Ca 0.00 1.77 -0.24 0.00 0.48 0.00 0.00 55.95 57.96 1pu0 s SER 142 Cb 0.00 -2.52 0.03 0.00 0.10 0.00 0.00 66.02 63.63 1pu0 s SER 142 CO 0.00 -1.26 0.83 -0.13 0.98 0.00 0.00 173.24 173.66 1pu0 s ARG 143 N -4.33 3.41 -0.01 4.02 0.52 -1.26 0.78 118.95 122.07 1pu0 s ARG 143 Ca 0.62 -0.11 0.08 0.00 -0.52 0.00 0.00 55.73 55.80 1pu0 s ARG 143 Cb -0.16 -3.96 -0.23 0.00 0.52 0.00 0.00 34.95 31.12 1pu0 s ARG 143 CO 0.42 -1.19 0.78 -0.07 0.02 0.00 0.00 175.30 175.26 1pu0 h LEU 144 N 10.32 0.08 -7.00 2.53 3.38 -1.28 -3.47 115.31 119.86 1pu0 h LEU 144 Ca -0.25 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.56 1pu0 h LEU 144 Cb 1.08 -0.03 -0.14 0.00 0.09 0.00 0.00 40.66 41.66 1pu0 h LEU 144 CO 0.99 1.12 0.22 0.00 0.09 0.00 0.00 178.44 180.86 1pu0 s ALA 145 N -2.62 -1.66 0.24 1.53 0.00 -1.16 -4.07 121.76 114.02 1pu0 s ALA 145 Ca -0.05 0.78 -0.22 0.00 0.00 0.00 0.00 51.96 52.47 1pu0 s ALA 145 Cb 0.08 0.57 0.03 0.00 0.00 0.00 0.00 23.12 23.81 1pu0 s ALA 145 CO 0.82 -0.64 0.72 0.00 0.00 0.00 0.00 175.76 176.67 1pu0 s GLY 147 N -2.88 -0.43 0.20 0.00 0.00 -0.79 -1.25 107.32 102.15 1pu0 s GLY 147 Ca 0.09 1.59 -0.29 0.00 0.00 0.00 0.00 44.72 46.11 1pu0 s GLY 147 CO 0.02 0.93 0.92 0.14 0.00 0.00 0.00 173.10 175.11 1pu0 s VAL 148 N -1.35 4.23 -0.26 1.40 1.01 -1.26 -1.23 120.40 122.93 1pu0 s VAL 148 Ca -0.06 2.02 -0.22 0.00 0.00 0.00 0.00 61.98 63.72 1pu0 s VAL 148 Cb -0.00 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.07 1pu0 s VAL 148 CO 0.04 0.46 0.72 -0.63 0.00 0.00 0.00 175.10 175.69 1pu0 s ILE 149 N -0.88 4.90 0.23 2.22 1.01 0.17 -4.55 121.20 124.30 1pu0 s ILE 149 Ca 0.42 1.26 0.10 0.00 0.00 0.00 0.00 60.65 62.42 1pu0 s ILE 149 Cb -0.25 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.15 1pu0 s ILE 149 CO 0.30 -0.06 -0.08 -0.83 0.00 0.00 0.00 174.94 174.28 1pu0 s GLY 150 N 1.46 1.72 0.30 6.18 0.00 0.25 -0.23 107.32 117.01 1pu0 s GLY 150 Ca 0.30 -1.60 -0.29 0.00 0.00 0.00 0.00 44.72 43.13 1pu0 s GLY 150 CO 0.09 -1.64 1.34 -0.42 0.00 0.00 0.00 173.10 172.46 1pu0 s ILE 151 N -2.04 2.74 0.26 0.90 1.01 -1.26 -0.87 121.20 121.94 1pu0 s ILE 151 Ca 0.28 0.71 0.10 0.00 0.00 0.00 0.00 60.65 61.74 1pu0 s ILE 151 Cb -0.07 -3.45 -0.05 0.00 0.01 0.00 0.00 42.46 38.90 1pu0 s ILE 151 CO 0.17 0.15 -0.17 0.00 0.00 0.00 0.00 174.94 175.09 1pu0 s ALA 152 N -0.78 2.49 -2.00 9.38 0.00 -0.69 -4.79 121.76 125.37 1pu0 s ALA 152 Ca 0.52 -1.82 0.15 0.00 0.00 0.00 0.00 51.96 50.81 1pu0 s ALA 152 Cb -0.40 -0.17 0.88 0.00 0.00 0.00 0.00 23.12 23.44 1pu0 s ALA 152 CO 0.50 0.18 1.30 0.94 0.00 0.00 0.00 175.76 178.68