#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 3.76 0.06 0.00 2.01 0.31 -4.86 115.64 116.92 1pu0 s THR 2 Ca 0.00 1.53 0.07 0.00 0.31 0.00 0.00 61.69 63.60 1pu0 s THR 2 Cb 0.00 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.51 1pu0 s THR 2 CO 0.00 0.26 -0.19 -0.54 -0.69 0.00 0.00 174.62 173.46 1pu0 s LYS 3 N -0.40 1.20 0.25 4.92 1.02 -1.26 -0.55 119.74 124.92 1pu0 s LYS 3 Ca 0.50 -0.96 0.03 0.00 0.02 0.00 0.00 55.97 55.56 1pu0 s LYS 3 Cb -0.30 -1.33 -0.05 0.00 -0.52 0.00 0.00 37.83 35.62 1pu0 s LYS 3 CO 0.36 0.33 0.03 0.00 -0.92 0.00 0.00 175.35 175.15 1pu0 s ALA 4 N -0.92 1.85 0.04 5.17 0.00 -0.78 -1.41 121.76 125.69 1pu0 s ALA 4 Ca 0.06 -1.83 -0.12 0.00 0.00 0.00 0.00 51.96 50.06 1pu0 s ALA 4 Cb -0.09 0.66 0.01 0.00 0.00 0.00 0.00 23.12 23.71 1pu0 s ALA 4 CO 0.02 -0.32 0.26 0.54 0.00 0.00 0.00 175.76 176.27 1pu0 s VAL 5 N -3.50 0.09 -0.12 0.00 0.11 0.14 -1.76 120.40 115.36 1pu0 s VAL 5 Ca 0.32 -0.74 -0.07 0.00 -2.93 0.00 0.00 61.98 58.56 1pu0 s VAL 5 Cb 0.07 -0.90 0.04 0.00 -1.53 0.00 0.00 36.38 34.07 1pu0 s VAL 5 CO 0.11 -0.41 0.28 0.00 -3.33 0.00 0.00 175.10 171.75 1pu0 s VAL 7 N 1.07 4.43 -0.10 0.00 1.01 -1.26 -0.70 120.40 124.85 1pu0 s VAL 7 Ca -0.08 -0.90 -0.24 0.00 0.00 0.00 0.00 61.98 60.76 1pu0 s VAL 7 Cb -0.08 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 1pu0 s VAL 7 CO -0.08 -0.22 0.74 -0.76 0.00 0.00 0.00 175.10 174.78 1pu0 s LEU 8 N 1.53 4.27 0.03 3.92 1.43 0.36 -4.05 118.68 126.17 1pu0 s LEU 8 Ca 0.01 1.17 -0.03 0.00 -1.03 0.00 0.00 54.13 54.25 1pu0 s LEU 8 Cb -0.19 -3.12 -0.02 0.00 0.03 0.00 0.00 46.19 42.89 1pu0 s LEU 8 CO 0.06 -0.20 0.05 -0.54 0.23 0.00 0.00 176.35 175.95 1pu0 s LYS 9 N 1.22 0.49 0.00 1.70 1.02 -0.23 -2.36 119.74 121.57 1pu0 s LYS 9 Ca 0.37 -0.72 0.00 0.00 0.02 0.00 0.00 55.97 55.65 1pu0 s LYS 9 Cb -0.17 0.19 0.00 0.00 -0.52 0.00 0.00 37.83 37.32 1pu0 s LYS 9 CO 0.17 -0.11 0.00 0.41 -0.92 0.00 0.00 175.35 174.90 1pu0 n GLY 10 N 1.04 3.62 0.10 -3.33 0.00 -1.24 -0.70 105.19 104.68 1pu0 n GLY 10 Ca -0.20 -1.16 0.13 0.00 0.00 0.00 0.00 46.02 44.79 1pu0 n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pu0 n ASP 11 N -0.71 0.76 0.00 1.61 10.43 -1.26 -4.87 116.55 122.51 1pu0 n ASP 11 Ca 0.00 0.58 0.00 0.00 2.57 0.00 0.00 54.79 57.94 1pu0 n ASP 11 Cb 0.00 -0.78 0.00 0.00 1.84 0.00 0.00 41.12 42.18 1pu0 n ASP 11 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1pu0 n GLY 12 N 1.20 3.92 0.04 0.44 0.00 -1.26 -5.02 105.19 104.50 1pu0 n GLY 12 Ca 0.05 -1.97 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 0.41 -2.14 1.61 -0.04 -1.26 -4.83 135.00 128.75 1pu0 n PRO 13 Ca 0.00 -0.08 -0.43 0.00 -0.04 0.00 0.00 63.50 62.95 1pu0 n PRO 13 Cb 0.00 -1.50 -0.02 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 -2.64 3.77 0.02 0.52 1.01 -1.26 -4.30 120.40 117.52 1pu0 s VAL 14 Ca 0.25 0.90 0.01 0.00 0.00 0.00 0.00 61.98 63.13 1pu0 s VAL 14 Cb 0.20 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 1pu0 s VAL 14 CO 0.50 -0.22 -0.04 -1.10 0.00 0.00 0.00 175.10 174.23 1pu0 s GLN 15 N 4.32 0.35 -0.00 2.72 -0.21 -0.72 -3.72 119.66 122.40 1pu0 s GLN 15 Ca 0.69 -0.56 -0.29 0.00 0.02 0.00 0.00 55.36 55.21 1pu0 s GLN 15 Cb -0.26 -0.06 0.11 0.00 1.00 0.00 0.00 33.01 33.80 1pu0 s GLN 15 CO 0.27 -0.00 1.27 0.20 -2.12 0.00 0.00 175.29 174.91 1pu0 s GLY 16 N -1.25 -0.33 -0.11 3.09 0.00 -1.00 0.13 107.32 107.85 1pu0 s GLY 16 Ca -0.11 0.49 0.00 0.00 0.00 0.00 0.00 44.72 45.10 1pu0 s GLY 16 CO -0.00 1.44 -0.09 -0.42 0.00 0.00 0.00 173.10 174.02 1pu0 s ILE 17 N -2.34 1.14 -0.13 0.90 1.01 -0.70 -0.49 121.20 120.59 1pu0 s ILE 17 Ca 0.18 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.48 1pu0 s ILE 17 Cb 0.03 -1.12 0.00 0.00 0.01 0.00 0.00 42.46 41.38 1pu0 s ILE 17 CO -0.03 0.38 -0.20 -0.63 0.00 0.00 0.00 174.94 174.47 1pu0 s ILE 18 N 1.55 2.30 0.04 2.92 -1.09 0.12 -2.64 121.20 124.41 1pu0 s ILE 18 Ca 0.03 -0.91 -0.05 0.00 -2.23 0.00 0.00 60.65 57.49 1pu0 s ILE 18 Cb -0.13 -1.93 -0.05 0.00 -1.58 0.00 0.00 42.46 38.77 1pu0 s ILE 18 CO -0.07 0.54 0.28 0.20 -1.23 0.00 0.00 174.94 174.66 1pu0 s ASN 19 N 0.67 6.47 0.01 3.58 0.01 0.83 -0.97 114.94 125.54 1pu0 s ASN 19 Ca -0.10 0.52 0.03 0.00 -0.71 0.00 0.00 52.86 52.60 1pu0 s ASN 19 Cb -0.16 -2.07 -0.01 0.00 0.41 0.00 0.00 41.25 39.42 1pu0 s ASN 19 CO 0.02 0.20 -0.10 -0.36 -1.51 0.00 0.00 177.10 175.35 1pu0 s PHE 20 N -1.40 0.89 -0.14 2.20 0.08 -0.72 -1.85 117.98 117.03 1pu0 s PHE 20 Ca 0.31 -0.24 -0.06 0.00 0.12 0.00 0.00 56.93 57.07 1pu0 s PHE 20 Cb -0.13 -0.55 0.06 0.00 -0.57 0.00 0.00 43.02 41.83 1pu0 s PHE 20 CO 0.20 -0.01 0.30 -2.00 -0.10 0.00 0.00 175.22 173.61 1pu0 s GLU 21 N -0.58 0.23 -0.25 0.44 2.12 -0.37 -1.87 118.70 118.42 1pu0 s GLU 21 Ca 0.01 0.72 -0.02 0.00 0.36 0.00 0.00 54.97 56.04 1pu0 s GLU 21 Cb -0.05 -0.02 0.08 0.00 0.26 0.00 0.00 34.13 34.40 1pu0 s GLU 21 CO 0.00 -0.22 0.06 -1.14 -0.54 0.00 0.00 175.26 173.42 1pu0 s GLN 22 N 1.89 0.68 0.14 4.30 0.74 0.29 -0.11 119.66 127.59 1pu0 s GLN 22 Ca -0.04 -0.71 -0.14 0.00 0.05 0.00 0.00 55.36 54.51 1pu0 s GLN 22 Cb -0.11 -2.00 0.02 0.00 1.10 0.00 0.00 33.01 32.02 1pu0 s GLN 22 CO -0.10 -0.81 1.67 -0.22 -0.55 0.00 0.00 175.29 175.28 1pu0 h LYS 23 N 8.19 0.73 -5.86 1.67 3.64 -1.83 0.90 116.57 124.00 1pu0 h LYS 23 Ca -0.16 -0.16 -0.56 0.00 -1.27 0.00 0.00 60.65 58.51 1pu0 h LYS 23 Cb 1.07 -0.10 -0.27 0.00 -0.41 0.00 0.00 32.23 32.51 1pu0 h LYS 23 CO 0.40 0.69 -0.83 -1.21 -2.27 0.00 0.00 179.45 176.23 1pu0 s GLU 24 N -5.40 1.37 0.57 1.90 0.41 -1.26 -3.90 118.70 112.39 1pu0 s GLU 24 Ca -0.13 -0.81 0.35 0.00 -0.41 0.00 0.00 54.97 53.97 1pu0 s GLU 24 Cb 0.11 -1.41 1.63 0.00 -1.78 0.00 0.00 34.13 32.68 1pu0 s GLU 24 CO 0.78 0.37 2.09 0.66 -0.49 0.00 0.00 175.26 178.67 1pu0 h SER 25 N 5.20 0.00 -0.19 -0.19 4.64 -1.97 0.22 113.55 121.25 1pu0 h SER 25 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1pu0 h SER 25 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1pu0 h SER 25 CO 0.46 0.04 0.00 -0.46 -0.87 0.00 0.00 176.83 175.99 1pu0 n ASN 26 N -3.20 3.31 -4.01 4.97 6.94 -1.26 -4.95 115.26 117.07 1pu0 n ASN 26 Ca -0.01 -2.87 -0.13 0.00 -0.02 0.00 0.00 54.58 51.55 1pu0 n ASN 26 Cb 0.24 -0.45 0.05 0.00 -2.36 0.00 0.00 39.78 37.26 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 -0.61 1.88 3.90 4.83 0.00 0.77 -5.12 105.19 110.83 1pu0 n GLY 27 Ca 0.18 -2.19 -0.28 0.00 0.00 0.00 0.00 46.02 43.73 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 -3.84 3.35 -0.23 1.61 0.04 -1.26 -4.88 135.00 129.79 1pu0 s PRO 28 Ca 0.42 0.32 -0.09 0.00 0.04 0.00 0.00 61.00 61.70 1pu0 s PRO 28 Cb -0.03 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 1pu0 s PRO 28 CO 0.27 -0.50 0.11 0.08 0.04 0.00 0.00 177.00 177.00 1pu0 s VAL 29 N -2.98 4.86 -0.09 -0.36 1.01 0.71 -4.34 120.40 119.20 1pu0 s VAL 29 Ca 0.52 0.01 -0.27 0.00 0.00 0.00 0.00 61.98 62.23 1pu0 s VAL 29 Cb -0.11 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.00 1pu0 s VAL 29 CO 0.48 0.36 0.90 -0.54 0.00 0.00 0.00 175.10 176.29 1pu0 s LYS 30 N 1.19 4.42 -0.29 2.72 3.01 0.84 -1.15 119.74 130.47 1pu0 s LYS 30 Ca 0.06 1.20 -0.03 0.00 -1.01 0.00 0.00 55.97 56.19 1pu0 s LYS 30 Cb -0.14 -3.52 0.04 0.00 -1.01 0.00 0.00 37.83 33.20 1pu0 s LYS 30 CO 0.04 -0.19 0.01 0.08 0.51 0.00 0.00 175.35 175.80 1pu0 s VAL 31 N 1.62 3.12 0.03 3.17 1.01 0.80 -1.23 120.40 128.93 1pu0 s VAL 31 Ca 0.44 -1.24 -0.02 0.00 0.00 0.00 0.00 61.98 61.16 1pu0 s VAL 31 Cb -0.18 -2.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 1pu0 s VAL 31 CO 0.19 -0.04 0.02 -1.66 0.00 0.00 0.00 175.10 173.60 1pu0 s TRP 32 N 1.30 0.30 -5.00 5.22 -2.14 -0.77 0.20 118.94 118.04 1pu0 s TRP 32 Ca -0.03 -0.64 0.00 0.00 2.66 0.00 0.00 56.10 58.09 1pu0 s TRP 32 Cb -0.19 -0.22 0.00 0.00 -3.10 0.00 0.00 33.47 29.96 1pu0 s TRP 32 CO -0.01 -0.30 0.00 0.41 -2.66 0.00 0.00 176.95 174.39 1pu0 n GLY 33 N 0.96 -0.92 3.10 3.67 0.00 -0.89 -0.12 105.19 110.99 1pu0 n GLY 33 Ca -0.20 -1.20 -0.15 0.00 0.00 0.00 0.00 46.02 44.46 1pu0 n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pu0 s SER 34 N -4.00 1.16 -0.05 1.61 1.04 -1.08 0.80 113.70 113.18 1pu0 s SER 34 Ca 0.00 -0.53 0.05 0.00 0.48 0.00 0.00 55.95 55.95 1pu0 s SER 34 Cb 0.00 -0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.10 1pu0 s SER 34 CO 0.00 -0.13 -0.21 -0.63 0.98 0.00 0.00 173.24 173.25 1pu0 s ILE 35 N -1.22 1.73 0.39 -1.02 1.01 -0.60 -1.71 121.20 119.78 1pu0 s ILE 35 Ca -0.06 -0.88 0.08 0.00 0.00 0.00 0.00 60.65 59.79 1pu0 s ILE 35 Cb -0.09 -1.47 -0.06 0.00 0.01 0.00 0.00 42.46 40.84 1pu0 s ILE 35 CO 0.01 0.49 0.08 -1.59 0.00 0.00 0.00 174.94 173.92 1pu0 s LYS 36 N -0.03 2.09 0.00 2.79 -2.85 0.12 -0.53 119.74 121.33 1pu0 s LYS 36 Ca -0.04 -1.92 0.00 0.00 -1.00 0.00 0.00 55.97 53.00 1pu0 s LYS 36 Cb -0.13 -1.84 0.00 0.00 -2.06 0.00 0.00 37.83 33.80 1pu0 s LYS 36 CO 0.03 -0.03 0.00 0.41 0.10 0.00 0.00 175.35 175.86 1pu0 n GLY 37 N -1.07 0.40 3.95 0.59 0.00 -0.86 -1.75 105.19 106.46 1pu0 n GLY 37 Ca -0.03 -1.01 -0.23 0.00 0.00 0.00 0.00 46.02 44.75 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 4.11 0.14 0.99 1.43 -0.80 -4.21 118.68 120.35 1pu0 s LEU 38 Ca 0.00 0.28 -0.31 0.00 -1.03 0.00 0.00 54.13 53.07 1pu0 s LEU 38 Cb 0.00 -3.12 -0.08 0.00 0.03 0.00 0.00 46.19 43.02 1pu0 s LEU 38 CO 0.00 -0.23 1.32 0.42 0.23 0.00 0.00 176.35 178.09 1pu0 s THR 39 N -2.20 3.39 0.42 5.49 -4.23 -1.26 -4.10 115.64 113.16 1pu0 s THR 39 Ca 0.38 1.05 -0.24 0.00 -1.18 0.00 0.00 61.69 61.71 1pu0 s THR 39 Cb -0.09 -3.67 -0.11 0.00 1.34 0.00 0.00 72.50 69.96 1pu0 s THR 39 CO 0.33 0.11 0.91 1.21 -0.54 0.00 0.00 174.62 176.65 1pu0 n GLU 40 N 3.40 1.16 0.00 3.99 2.13 -1.26 -4.64 120.64 125.43 1pu0 n GLU 40 Ca 0.09 0.42 0.00 0.00 0.66 0.00 0.00 57.16 58.33 1pu0 n GLU 40 Cb 0.43 -1.92 0.00 0.00 0.27 0.00 0.00 31.44 30.22 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 1.31 -0.32 3.87 8.31 0.00 0.42 -4.86 105.19 113.92 1pu0 n GLY 41 Ca 0.10 -2.22 -0.37 0.00 0.00 0.00 0.00 46.02 43.53 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 4.42 -0.06 0.99 1.43 -1.26 0.19 118.68 124.40 1pu0 s LEU 42 Ca 0.00 0.64 -0.03 0.00 -1.03 0.00 0.00 54.13 53.71 1pu0 s LEU 42 Cb 0.00 -2.28 0.03 0.00 0.03 0.00 0.00 46.19 43.97 1pu0 s LEU 42 CO 0.00 0.37 0.13 -1.00 0.23 0.00 0.00 176.35 176.08 1pu0 s HIS 43 N -1.06 -0.15 0.35 0.29 3.76 -0.53 -2.87 115.29 115.07 1pu0 s HIS 43 Ca 0.19 0.41 -0.27 0.00 -0.15 0.00 0.00 55.06 55.24 1pu0 s HIS 43 Cb -0.14 -0.04 -0.12 0.00 1.11 0.00 0.00 32.58 33.39 1pu0 s HIS 43 CO 0.08 -0.12 1.09 0.41 -0.85 0.00 0.00 174.74 175.34 1pu0 n GLY 44 N 3.74 -0.01 2.82 -2.22 0.00 -0.35 -0.92 105.19 108.25 1pu0 n GLY 44 Ca -0.21 0.26 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.14 -0.56 0.08 1.61 5.36 -0.66 -0.67 117.98 121.99 1pu0 s PHE 45 Ca 0.59 0.40 -0.01 0.00 -0.96 0.00 0.00 56.93 56.95 1pu0 s PHE 45 Cb -0.62 -0.22 -0.04 0.00 -0.34 0.00 0.00 43.02 41.80 1pu0 s PHE 45 CO 0.60 -0.72 -0.01 -1.01 -1.46 0.00 0.00 175.22 172.62 1pu0 s HIS 46 N 2.43 0.65 -0.22 10.12 3.76 -0.92 -2.24 115.29 128.87 1pu0 s HIS 46 Ca 0.10 -1.11 -0.20 0.00 -0.15 0.00 0.00 55.06 53.69 1pu0 s HIS 46 Cb -0.15 -0.43 -0.02 0.00 1.11 0.00 0.00 32.58 33.09 1pu0 s HIS 46 CO -0.18 -0.41 0.61 0.08 -0.85 0.00 0.00 174.74 173.99 1pu0 s VAL 47 N -3.94 5.02 0.31 -0.90 1.01 -0.61 -0.00 120.40 121.28 1pu0 s VAL 47 Ca 0.13 1.12 0.05 0.00 0.00 0.00 0.00 61.98 63.28 1pu0 s VAL 47 Cb 0.08 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 1pu0 s VAL 47 CO -0.06 0.09 0.44 -1.00 0.00 0.00 0.00 175.10 174.57 1pu0 s HIS 48 N 2.13 3.26 0.09 5.22 3.76 0.18 -1.05 115.29 128.89 1pu0 s HIS 48 Ca 0.27 -0.09 -0.20 0.00 -0.15 0.00 0.00 55.06 54.89 1pu0 s HIS 48 Cb -0.16 -1.85 -0.08 0.00 1.11 0.00 0.00 32.58 31.60 1pu0 s HIS 48 CO 0.09 0.14 1.63 1.49 -0.85 0.00 0.00 174.74 177.25 1pu0 h GLU 49 N 0.96 0.33 -6.00 1.40 4.81 -0.41 -2.87 114.58 112.80 1pu0 h GLU 49 Ca -0.48 -0.06 -0.67 0.00 -0.13 0.00 0.00 59.36 58.02 1pu0 h GLU 49 Cb 1.24 -0.05 -0.13 0.00 0.63 0.00 0.00 28.75 30.45 1pu0 h GLU 49 CO 0.56 0.39 -0.60 -0.06 -0.73 0.00 0.00 179.01 178.57 1pu0 s PHE 50 N -5.52 3.21 -0.70 0.92 0.08 -0.24 -4.66 117.98 111.07 1pu0 s PHE 50 Ca -0.14 0.19 -0.04 0.00 0.12 0.00 0.00 56.93 57.07 1pu0 s PHE 50 Cb 0.08 -1.75 0.12 0.00 -0.57 0.00 0.00 43.02 40.89 1pu0 s PHE 50 CO 0.71 0.51 2.57 0.41 -0.10 0.00 0.00 175.22 179.32 1pu0 n GLY 51 N 1.66 4.74 3.18 4.36 0.00 -1.11 -3.56 105.19 114.45 1pu0 n GLY 51 Ca -0.16 -2.02 -0.36 0.00 0.00 0.00 0.00 46.02 43.48 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 0.11 5.00 -0.23 1.61 3.68 -1.26 -4.95 116.67 120.64 1pu0 s ASP 52 Ca 0.56 -1.33 0.14 0.00 2.13 0.00 0.00 52.55 54.05 1pu0 s ASP 52 Cb 0.34 -1.75 0.61 0.00 -1.45 0.00 0.00 42.92 40.68 1pu0 s ASP 52 CO -0.22 -0.30 1.55 -3.20 0.13 0.00 0.00 175.17 173.13 1pu0 n ASN 53 N 4.65 4.20 0.20 -0.34 4.05 -1.26 -3.11 115.26 123.65 1pu0 n ASN 53 Ca -0.12 -3.13 0.04 0.00 0.45 0.00 0.00 54.58 51.82 1pu0 n ASN 53 Cb 0.43 -0.61 0.43 0.00 1.23 0.00 0.00 39.78 41.25 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 2.22 1.20 -0.95 -0.44 1.35 -1.93 -1.99 112.91 112.37 1pu0 h THR 54 Ca 0.07 -0.95 -0.58 0.00 -0.55 0.00 0.00 66.41 64.40 1pu0 h THR 54 Cb 1.72 1.50 -0.40 0.00 -1.73 0.00 0.00 68.15 69.24 1pu0 h THR 54 CO 0.38 0.27 -0.50 0.00 -0.25 0.00 0.00 175.52 175.42 1pu0 n ALA 55 N -2.49 5.27 -0.81 6.62 0.00 -1.26 -5.06 120.51 122.77 1pu0 n ALA 55 Ca -0.02 -3.84 0.00 0.00 0.00 0.00 0.00 53.44 49.58 1pu0 n ALA 55 Cb 0.33 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.16 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 -0.70 0.65 0.15 0.00 0.00 -0.75 -3.31 105.19 101.24 1pu0 n GLY 56 Ca 0.46 -0.79 0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 1.14 -0.12 0.00 2.02 -1.89 -2.25 112.91 111.81 1pu0 h THR 58 Ca 0.00 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.85 1pu0 h THR 58 Cb 0.40 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1pu0 h THR 58 CO 0.00 0.15 0.00 -1.54 0.37 0.00 0.00 175.52 174.50 1pu0 n SER 59 N -4.43 0.98 0.00 4.18 3.41 -1.14 -3.34 113.62 113.28 1pu0 n SER 59 Ca 0.04 -1.69 0.06 0.00 -0.26 0.00 0.00 58.87 57.02 1pu0 n SER 59 Cb 0.08 -0.08 0.27 0.00 -0.26 0.00 0.00 64.21 64.23 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 -0.09 1.60 -0.61 7.33 0.00 -0.84 -4.50 120.51 123.39 1pu0 n ALA 60 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1pu0 n ALA 60 Cb 0.20 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 -0.26 -0.47 2.08 0.00 0.00 -1.21 -1.08 105.19 104.24 1pu0 n GLY 61 Ca 0.04 -1.07 -0.15 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.41 -0.44 -1.95 1.61 -0.04 -1.26 -4.57 135.00 127.94 1pu0 n PRO 62 Ca 0.00 -1.21 -0.38 0.00 -0.04 0.00 0.00 63.50 61.87 1pu0 n PRO 62 Cb 0.00 -0.63 0.02 0.00 -0.04 0.00 0.00 33.50 32.85 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 -2.28 2.54 0.05 0.54 3.76 -1.26 -0.04 115.29 118.59 1pu0 s HIS 63 Ca 0.39 1.41 -0.30 0.00 -0.15 0.00 0.00 55.06 56.41 1pu0 s HIS 63 Cb -0.01 -3.68 -0.08 0.00 1.11 0.00 0.00 32.58 29.91 1pu0 s HIS 63 CO 0.27 -2.42 1.72 0.12 -0.85 0.00 0.00 174.74 173.58 1pu0 s PHE 64 N -1.35 2.15 -0.41 1.40 5.99 -0.21 -4.42 117.98 121.12 1pu0 s PHE 64 Ca 0.66 0.15 0.09 0.00 0.00 0.00 0.00 56.93 57.83 1pu0 s PHE 64 Cb -0.37 -4.02 0.31 0.00 0.00 0.00 0.00 43.02 38.94 1pu0 s PHE 64 CO 0.45 -4.21 0.83 -1.71 -0.00 0.00 0.00 175.22 170.58 1pu0 n ASN 65 N 6.15 -0.61 0.25 6.13 5.15 -1.26 -1.88 115.26 129.19 1pu0 n ASN 65 Ca 0.17 -3.20 0.10 0.00 -0.60 0.00 0.00 54.58 51.05 1pu0 n ASN 65 Cb 0.41 0.40 0.68 0.00 -0.53 0.00 0.00 39.78 40.73 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 3.25 0.00 -0.71 1.20 0.13 -1.98 -2.41 132.00 131.48 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 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1pu0 h PRO 66 CO 0.36 0.12 0.00 1.28 -0.23 0.00 0.00 178.00 179.53 1pu0 n LEU 67 N -3.94 4.31 -3.93 1.56 4.77 -1.26 -4.95 117.00 113.56 1pu0 n LEU 67 Ca -0.02 -2.19 -0.29 0.00 -0.03 0.00 0.00 56.01 53.48 1pu0 n LEU 67 Cb 0.21 -0.63 -0.03 0.00 -2.33 0.00 0.00 43.42 40.64 1pu0 n LEU 67 CO 0.32 0.51 -0.25 -1.20 -1.33 0.00 0.00 177.39 175.44 1pu0 n SER 68 N 0.44 -1.06 -0.00 -1.43 7.64 -0.91 -4.96 113.62 113.34 1pu0 n SER 68 Ca 0.19 -0.97 0.00 0.00 1.01 0.00 0.00 58.87 59.10 1pu0 n SER 68 Cb 0.91 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 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 -3.87 3.21 -4.14 1.43 1.74 -1.26 -5.15 116.66 108.62 1pu0 n ARG 69 Ca -0.17 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.81 1pu0 n ARG 69 Cb 0.48 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.81 1pu0 n ARG 69 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1pu0 s LYS 70 N 4.78 0.74 0.48 5.56 -0.14 -1.26 -4.96 119.74 124.94 1pu0 s LYS 70 Ca 0.00 -1.23 -0.23 0.00 -1.36 0.00 0.00 55.97 53.14 1pu0 s LYS 70 Cb 0.00 -0.11 -0.07 0.00 -1.68 0.00 0.00 37.83 35.97 1pu0 s LYS 70 CO 0.00 -0.03 1.31 -1.58 -0.76 0.00 0.00 175.35 174.28 1pu0 s HIS 71 N -3.41 2.57 0.27 3.18 5.65 0.03 -3.09 115.29 120.51 1pu0 s HIS 71 Ca 0.08 1.41 -0.08 0.00 0.25 0.00 0.00 55.06 56.72 1pu0 s HIS 71 Cb 0.04 -3.68 0.03 0.00 -1.18 0.00 0.00 32.58 27.79 1pu0 s HIS 71 CO -0.05 -2.37 0.49 0.41 -0.65 0.00 0.00 174.74 172.57 1pu0 n GLY 72 N 0.62 1.64 3.93 1.59 0.00 -1.26 -4.42 105.19 107.30 1pu0 n GLY 72 Ca 0.07 -1.30 -0.26 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.50 1.69 0.38 -0.02 0.00 -1.10 -4.65 107.32 101.11 1pu0 s GLY 73 Ca 0.14 -0.92 0.06 0.00 0.00 0.00 0.00 44.72 44.01 1pu0 s GLY 73 CO 0.11 -0.53 1.97 -0.56 0.00 0.00 0.00 173.10 174.09 1pu0 h PRO 74 N -0.55 0.50 -0.75 2.90 0.13 -1.84 -2.70 132.00 129.68 1pu0 h PRO 74 Ca -0.44 -0.07 -0.04 0.00 -0.87 0.00 0.00 66.00 64.58 1pu0 h PRO 74 Cb 1.31 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 1pu0 h PRO 74 CO 0.60 0.44 0.05 1.63 -0.23 0.00 0.00 178.00 180.49 1pu0 n LYS 75 N -4.38 3.41 -3.71 0.86 4.76 -1.26 -4.88 118.16 112.97 1pu0 n LYS 75 Ca 0.02 -2.11 -0.30 0.00 -2.87 0.00 0.00 58.31 53.05 1pu0 n LYS 75 Cb 0.15 -1.99 -0.04 0.00 -1.84 0.00 0.00 35.03 31.31 1pu0 n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1pu0 s ASP 76 N -0.52 6.44 0.06 4.39 -0.00 -1.02 -5.01 116.67 121.00 1pu0 s ASP 76 Ca 0.37 0.48 -0.13 0.00 -0.00 0.00 0.00 52.55 53.27 1pu0 s ASP 76 Cb 0.28 -2.05 -0.26 0.00 -0.00 0.00 0.00 42.92 40.89 1pu0 s ASP 76 CO 0.10 0.03 1.14 -0.33 -0.00 0.00 0.00 175.17 176.11 1pu0 h GLU 77 N 2.57 0.61 -4.39 8.23 3.07 -1.89 -3.40 114.58 119.38 1pu0 h GLU 77 Ca -0.46 -0.78 -0.73 0.00 -0.50 0.00 0.00 59.36 56.89 1pu0 h GLU 77 Cb 1.17 0.25 -0.23 0.00 -0.84 0.00 0.00 28.75 29.10 1pu0 h GLU 77 CO 0.72 1.35 -0.38 -2.00 -1.40 0.00 0.00 179.01 177.29 1pu0 s GLU 78 N -3.05 2.91 -0.16 2.33 -6.30 -1.26 -4.99 118.70 108.18 1pu0 s GLU 78 Ca -0.09 -1.27 -0.28 0.00 -2.50 0.00 0.00 54.97 50.83 1pu0 s GLU 78 Cb 0.06 -4.02 0.08 0.00 0.00 0.00 0.00 34.13 30.25 1pu0 s GLU 78 CO 0.93 -0.93 0.73 -0.98 0.02 0.00 0.00 175.26 175.03 1pu0 s ARG 79 N 1.61 0.91 0.45 4.30 1.70 -1.18 -3.99 118.95 122.76 1pu0 s ARG 79 Ca 0.04 0.58 -0.25 0.00 -0.47 0.00 0.00 55.73 55.63 1pu0 s ARG 79 Cb -0.23 0.44 -0.09 0.00 -0.57 0.00 0.00 34.95 34.50 1pu0 s ARG 79 CO 0.07 -0.21 1.27 0.72 -1.08 0.00 0.00 175.30 176.07 1pu0 n HIS 80 N 1.71 2.11 -0.34 5.89 8.25 -1.20 -4.75 115.22 126.89 1pu0 n HIS 80 Ca -0.16 0.48 0.15 0.00 -0.26 0.00 0.00 57.72 57.93 1pu0 n HIS 80 Cb 0.56 -2.37 0.36 0.00 1.12 0.00 0.00 29.99 29.67 1pu0 n HIS 80 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1pu0 h VAL 81 N 1.92 0.67 0.00 1.59 2.07 -1.92 0.73 116.25 121.31 1pu0 h VAL 81 Ca -0.48 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1pu0 h VAL 81 Cb 1.30 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1pu0 h VAL 81 CO 0.59 0.12 0.00 0.61 0.02 0.00 0.00 177.57 178.91 1pu0 n GLY 82 N -1.36 -0.74 3.61 2.17 0.00 -0.79 -4.56 105.19 103.53 1pu0 n GLY 82 Ca 0.23 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.00 6.74 -0.10 1.61 1.01 0.25 -1.58 116.67 122.60 1pu0 s ASP 83 Ca 0.35 0.67 0.14 0.00 0.71 0.00 0.00 52.55 54.42 1pu0 s ASP 83 Cb 0.16 -2.52 0.29 0.00 1.01 0.00 0.00 42.92 41.86 1pu0 s ASP 83 CO 0.27 -1.02 1.19 0.18 0.21 0.00 0.00 175.17 176.00 1pu0 n LEU 84 N 7.22 2.69 0.00 1.23 4.77 -0.95 -4.06 117.00 127.90 1pu0 n LEU 84 Ca 0.10 -2.73 0.00 0.00 -0.03 0.00 0.00 56.01 53.35 1pu0 n LEU 84 Cb 0.48 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1pu0 n LEU 84 CO 0.64 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.97 1pu0 n GLY 85 N -0.83 0.49 3.08 -0.72 0.00 -1.19 -4.69 105.19 101.34 1pu0 n GLY 85 Ca 0.13 -0.74 -0.23 0.00 0.00 0.00 0.00 46.02 45.19 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 1.63 0.34 1.61 0.01 -1.26 -1.66 114.94 111.61 1pu0 s ASN 86 Ca 0.00 -0.26 0.07 0.00 -0.71 0.00 0.00 52.86 51.96 1pu0 s ASN 86 Cb 0.00 -0.32 -0.01 0.00 0.41 0.00 0.00 41.25 41.33 1pu0 s ASN 86 CO 0.00 0.14 0.43 0.68 -1.51 0.00 0.00 177.10 176.84 1pu0 s VAL 87 N -0.10 3.95 -0.25 1.60 -7.23 -0.09 -4.88 120.40 113.40 1pu0 s VAL 87 Ca 0.01 -1.08 0.03 0.00 -1.81 0.00 0.00 61.98 59.13 1pu0 s VAL 87 Cb -0.08 -3.36 0.06 0.00 0.56 0.00 0.00 36.38 33.56 1pu0 s VAL 87 CO 0.00 -0.16 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.63 1pu0 s THR 88 N -2.20 2.14 -0.08 5.32 2.01 -1.26 -1.46 115.64 120.10 1pu0 s THR 88 Ca 0.44 -1.56 -0.26 0.00 0.31 0.00 0.00 61.69 60.62 1pu0 s THR 88 Cb -0.09 -2.22 -0.03 0.00 0.01 0.00 0.00 72.50 70.17 1pu0 s THR 88 CO 0.30 0.02 0.81 0.00 -0.69 0.00 0.00 174.62 175.06 1pu0 s ALA 89 N 1.13 3.35 1.08 7.40 0.00 0.52 -3.96 121.76 131.27 1pu0 s ALA 89 Ca -0.08 0.21 -0.08 0.00 0.00 0.00 0.00 51.96 52.01 1pu0 s ALA 89 Cb -0.19 -3.14 0.12 0.00 0.00 0.00 0.00 23.12 19.90 1pu0 s ALA 89 CO -0.06 -0.31 0.46 -0.40 0.00 0.00 0.00 175.76 175.46 1pu0 n ASP 90 N 4.26 -1.11 -0.30 0.00 3.85 -0.50 0.16 116.55 122.91 1pu0 n ASP 90 Ca 0.02 -0.86 0.24 0.00 -0.71 0.00 0.00 54.79 53.48 1pu0 n ASP 90 Cb 0.50 -0.41 0.55 0.00 -1.35 0.00 0.00 41.12 40.41 1pu0 n ASP 90 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.20 176.30 1pu0 h LYS 91 N 0.00 0.32 -0.05 0.11 1.57 -1.96 0.42 116.57 116.98 1pu0 h LYS 91 Ca -0.17 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1pu0 h LYS 91 Cb 0.50 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1pu0 h LYS 91 CO 0.11 0.21 0.00 -0.25 -0.57 0.00 0.00 179.45 178.96 1pu0 n ASP 92 N -4.54 1.65 0.00 0.86 10.43 -1.26 -4.75 116.55 118.94 1pu0 n ASP 92 Ca 0.24 -1.58 0.00 0.00 2.57 0.00 0.00 54.79 56.02 1pu0 n ASP 92 Cb 0.89 -0.03 0.00 0.00 1.84 0.00 0.00 41.12 43.83 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 0.54 3.55 0.44 0.00 0.15 -4.71 105.19 106.34 1pu0 n GLY 93 Ca 0.18 -0.53 -0.40 0.00 0.00 0.00 0.00 46.02 45.27 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 5.28 -0.18 1.61 1.01 -1.26 -1.91 120.40 122.95 1pu0 s VAL 94 Ca 0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 61.98 61.80 1pu0 s VAL 94 Cb 0.00 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 1pu0 s VAL 94 CO 0.00 0.05 0.14 0.00 0.00 0.00 0.00 175.10 175.29 1pu0 s ALA 95 N 1.77 3.72 -0.47 5.51 0.00 0.31 -1.41 121.76 131.18 1pu0 s ALA 95 Ca 0.07 -0.67 -0.09 0.00 0.00 0.00 0.00 51.96 51.27 1pu0 s ALA 95 Cb -0.17 -2.15 0.12 0.00 0.00 0.00 0.00 23.12 20.92 1pu0 s ALA 95 CO 0.11 0.23 0.34 -0.51 0.00 0.00 0.00 175.76 175.93 1pu0 s ASP 96 N 0.14 5.71 0.13 0.00 -0.00 -1.26 -1.55 116.67 119.84 1pu0 s ASP 96 Ca 0.10 -1.89 -0.29 0.00 -0.00 0.00 0.00 52.55 50.47 1pu0 s ASP 96 Cb -0.11 -2.01 -0.07 0.00 -0.00 0.00 0.00 42.92 40.73 1pu0 s ASP 96 CO -0.01 -0.69 0.91 -0.69 -0.00 0.00 0.00 175.17 174.70 1pu0 s VAL 97 N 1.37 4.43 -0.27 -1.27 1.01 0.24 -4.92 120.40 120.99 1pu0 s VAL 97 Ca 0.06 1.98 -0.00 0.00 0.00 0.00 0.00 61.98 64.01 1pu0 s VAL 97 Cb -0.26 -4.28 0.15 0.00 0.00 0.00 0.00 36.38 31.99 1pu0 s VAL 97 CO -0.01 0.38 0.42 -0.55 0.00 0.00 0.00 175.10 175.35 1pu0 s SER 98 N -0.37 0.04 0.00 3.32 0.15 -1.25 -2.09 113.70 113.49 1pu0 s SER 98 Ca 0.43 0.07 0.00 0.00 0.70 0.00 0.00 55.95 57.16 1pu0 s SER 98 Cb -0.23 1.27 -0.00 0.00 -1.71 0.00 0.00 66.02 65.34 1pu0 s SER 98 CO 0.29 -0.32 -0.01 -0.63 1.20 0.00 0.00 173.24 173.77 1pu0 s ILE 99 N 2.59 0.07 -0.09 6.45 1.01 0.13 -5.01 121.20 126.36 1pu0 s ILE 99 Ca 0.12 -0.10 0.03 0.00 0.00 0.00 0.00 60.65 60.71 1pu0 s ILE 99 Cb -0.14 -0.08 -0.01 0.00 0.01 0.00 0.00 42.46 42.24 1pu0 s ILE 99 CO -0.22 -0.02 -0.19 -1.61 0.00 0.00 0.00 174.94 172.90 1pu0 s GLU 100 N -0.12 2.89 -0.01 2.79 2.02 -1.26 -0.14 118.70 124.87 1pu0 s GLU 100 Ca -0.01 -0.80 -0.02 0.00 0.02 0.00 0.00 54.97 54.17 1pu0 s GLU 100 Cb -0.01 -2.37 -0.00 0.00 0.10 0.00 0.00 34.13 31.85 1pu0 s GLU 100 CO -0.00 0.33 0.04 0.34 0.02 0.00 0.00 175.26 175.99 1pu0 s ASP 101 N -0.01 0.03 -0.00 -0.19 -1.08 -0.30 -4.96 116.67 110.16 1pu0 s ASP 101 Ca -0.06 -0.09 0.00 0.00 -0.52 0.00 0.00 52.55 51.89 1pu0 s ASP 101 Cb -0.15 0.11 0.01 0.00 -1.46 0.00 0.00 42.92 41.43 1pu0 s ASP 101 CO 0.05 -0.12 0.99 -1.54 0.52 0.00 0.00 175.17 175.06 1pu0 n SER 102 N 2.53 1.95 -0.08 -0.34 3.41 -1.26 -0.21 113.62 119.61 1pu0 n SER 102 Ca -0.16 -2.00 -0.08 0.00 -0.26 0.00 0.00 58.87 56.37 1pu0 n SER 102 Cb 0.58 -0.01 -0.13 0.00 -0.26 0.00 0.00 64.21 64.39 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 -0.51 1.16 -2.74 -3.33 0.31 -1.26 -4.95 118.33 107.01 1pu0 n VAL 103 Ca 0.00 -0.71 -0.27 0.00 -0.01 0.00 0.00 64.34 63.35 1pu0 n VAL 103 Cb 0.27 -0.56 -0.00 0.00 -0.91 0.00 0.00 33.84 32.64 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 -2.41 4.93 0.05 2.52 -4.36 -1.26 -4.98 121.20 115.68 1pu0 s ILE 104 Ca -0.08 0.15 -0.04 0.00 -0.26 0.00 0.00 60.65 60.41 1pu0 s ILE 104 Cb 0.05 -3.86 -0.02 0.00 1.25 0.00 0.00 42.46 39.89 1pu0 s ILE 104 CO 0.69 -0.79 0.06 -0.55 0.24 0.00 0.00 174.94 174.59 1pu0 s SER 105 N -4.03 0.27 0.00 4.36 0.15 -1.26 -4.60 113.70 108.59 1pu0 s SER 105 Ca 0.47 -0.68 0.19 0.00 0.70 0.00 0.00 55.95 56.63 1pu0 s SER 105 Cb -0.10 0.22 0.52 0.00 -1.71 0.00 0.00 66.02 64.95 1pu0 s SER 105 CO 0.43 -0.54 1.43 0.18 1.20 0.00 0.00 173.24 175.94 1pu0 n LEU 106 N 0.55 2.76 -3.91 3.45 4.77 -1.26 -2.20 117.00 121.16 1pu0 n LEU 106 Ca -0.17 -1.29 -0.10 0.00 -0.03 0.00 0.00 56.01 54.41 1pu0 n LEU 106 Cb 0.59 -0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 41.40 1pu0 n LEU 106 CO 0.24 0.65 0.38 -0.94 -1.33 0.00 0.00 177.39 176.39 1pu0 s SER 107 N -1.24 0.24 0.00 -1.43 1.04 -1.26 -4.79 113.70 106.26 1pu0 s SER 107 Ca 0.36 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.61 1pu0 s SER 107 Cb 0.19 0.76 0.00 0.00 0.10 0.00 0.00 66.02 67.08 1pu0 s SER 107 CO 0.27 -1.50 0.00 0.61 0.98 0.00 0.00 173.24 173.60 1pu0 n GLY 108 N -0.52 -0.96 0.38 7.32 0.00 -1.26 -3.96 105.19 106.19 1pu0 n GLY 108 Ca -0.05 -1.66 0.20 0.00 0.00 0.00 0.00 46.02 44.52 1pu0 n GLY 108 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1pu0 h ASP 109 N 0.00 0.00 -0.77 1.61 3.04 -2.01 -2.72 116.42 115.57 1pu0 h ASP 109 Ca 0.00 0.00 -0.54 0.00 -3.24 0.00 0.00 57.03 53.25 1pu0 h ASP 109 Cb 0.00 0.00 -0.43 0.00 -1.04 0.00 0.00 39.33 37.86 1pu0 h ASP 109 CO 0.00 0.00 -0.82 1.41 -2.04 0.00 0.00 179.24 177.79 1pu0 n HIS 110 N -3.91 2.73 -2.01 4.15 8.25 -1.26 -5.06 115.22 118.12 1pu0 n HIS 110 Ca 0.07 -2.25 -0.28 0.00 -0.26 0.00 0.00 57.72 55.00 1pu0 n HIS 110 Cb 0.57 -0.33 0.12 0.00 1.12 0.00 0.00 29.99 31.47 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 -3.37 0.39 -1.84 0.00 -5.35 -0.93 -4.91 119.36 103.34 1pu0 n ILE 112 Ca 0.11 -0.69 -0.41 0.00 -0.27 0.00 0.00 62.75 61.49 1pu0 n ILE 112 Cb 0.60 1.04 -0.01 0.00 -1.74 0.00 0.00 39.64 39.54 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 -1.32 2.15 0.00 7.28 -1.09 -1.26 -1.88 121.20 125.08 1pu0 s ILE 113 Ca 0.28 0.14 0.00 0.00 -2.23 0.00 0.00 60.65 58.84 1pu0 s ILE 113 Cb 0.17 -3.09 0.00 0.00 -1.58 0.00 0.00 42.46 37.96 1pu0 s ILE 113 CO 0.24 0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.59 1pu0 n GLY 114 N 1.08 1.49 0.82 6.18 0.00 0.13 -4.96 105.19 109.94 1pu0 n GLY 114 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 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 1.12 -4.67 1.61 1.74 -0.79 -2.77 116.66 110.91 1pu0 n ARG 115 Ca 0.00 -0.70 -0.33 0.00 -0.77 0.00 0.00 57.85 56.05 1pu0 n ARG 115 Cb 0.00 0.02 -0.15 0.00 -1.02 0.00 0.00 32.46 31.31 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 -0.18 2.91 -0.03 0.55 2.01 -1.08 -0.32 115.64 119.50 1pu0 s THR 116 Ca 0.10 -0.70 -0.25 0.00 0.31 0.00 0.00 61.69 61.15 1pu0 s THR 116 Cb -0.01 -2.23 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 1pu0 s THR 116 CO 0.06 0.52 0.75 -0.22 -0.69 0.00 0.00 174.62 175.04 1pu0 s LEU 117 N 0.56 4.36 -0.02 4.42 2.96 -0.34 0.51 118.68 131.13 1pu0 s LEU 117 Ca -0.09 1.32 0.06 0.00 -0.22 0.00 0.00 54.13 55.20 1pu0 s LEU 117 Cb -0.16 -3.18 -0.02 0.00 0.50 0.00 0.00 46.19 43.34 1pu0 s LEU 117 CO 0.04 -0.09 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.07 1pu0 s VAL 118 N 0.58 1.70 -0.01 1.68 1.01 0.99 -1.94 120.40 124.41 1pu0 s VAL 118 Ca 0.39 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.49 1pu0 s VAL 118 Cb -0.19 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 1pu0 s VAL 118 CO 0.21 0.48 -0.10 0.54 0.00 0.00 0.00 175.10 176.23 1pu0 s VAL 119 N -0.45 3.39 0.45 2.92 0.11 -0.73 -2.17 120.40 123.93 1pu0 s VAL 119 Ca 0.07 -0.78 0.06 0.00 -2.93 0.00 0.00 61.98 58.40 1pu0 s VAL 119 Cb -0.09 -2.42 -0.04 0.00 -1.53 0.00 0.00 36.38 32.30 1pu0 s VAL 119 CO -0.00 0.46 0.16 -1.00 -3.33 0.00 0.00 175.10 171.39 1pu0 s HIS 120 N -0.90 2.31 0.03 1.54 3.76 0.15 -1.45 115.29 120.72 1pu0 s HIS 120 Ca 0.15 -0.71 -0.18 0.00 -0.15 0.00 0.00 55.06 54.17 1pu0 s HIS 120 Cb -0.11 -1.86 -0.24 0.00 1.11 0.00 0.00 32.58 31.48 1pu0 s HIS 120 CO 0.05 0.13 1.12 1.49 -0.85 0.00 0.00 174.74 176.68 1pu0 h GLU 121 N 1.36 0.51 -6.03 1.40 4.81 -0.44 -3.40 114.58 112.78 1pu0 h GLU 121 Ca -0.42 -0.56 -0.54 0.00 -0.13 0.00 0.00 59.36 57.71 1pu0 h GLU 121 Cb 1.27 0.16 -0.05 0.00 0.63 0.00 0.00 28.75 30.76 1pu0 h GLU 121 CO 0.71 1.19 -0.38 0.15 -0.73 0.00 0.00 179.01 179.95 1pu0 s LYS 122 N -3.20 2.36 0.55 1.92 1.02 0.61 -4.90 119.74 118.10 1pu0 s LYS 122 Ca -0.12 -1.77 -0.19 0.00 0.02 0.00 0.00 55.97 53.91 1pu0 s LYS 122 Cb 0.04 -2.19 -0.06 0.00 -0.52 0.00 0.00 37.83 35.11 1pu0 s LYS 122 CO 0.86 -0.32 1.10 0.00 -0.92 0.00 0.00 175.35 176.06 1pu0 s ALA 123 N -2.60 2.72 0.04 5.17 0.00 -1.14 -1.21 121.76 124.73 1pu0 s ALA 123 Ca 0.42 0.69 -0.27 0.00 0.00 0.00 0.00 51.96 52.80 1pu0 s ALA 123 Cb -0.01 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 19.75 1pu0 s ALA 123 CO 0.25 -0.72 0.86 0.34 0.00 0.00 0.00 175.76 176.49 1pu0 s ASP 124 N -2.02 7.30 -0.05 0.00 3.68 -1.26 -4.04 116.67 120.27 1pu0 s ASP 124 Ca 0.70 1.56 0.08 0.00 2.13 0.00 0.00 52.55 57.02 1pu0 s ASP 124 Cb -0.21 -2.52 0.33 0.00 -1.45 0.00 0.00 42.92 39.07 1pu0 s ASP 124 CO 0.28 -0.09 1.16 -0.90 0.13 0.00 0.00 175.17 175.75 1pu0 n ASP 125 N 3.21 2.37 -1.60 -0.34 3.85 -0.91 -4.88 116.55 118.25 1pu0 n ASP 125 Ca 0.01 -2.19 -0.11 0.00 -0.71 0.00 0.00 54.79 51.79 1pu0 n ASP 125 Cb 0.50 -0.38 -0.04 0.00 -1.35 0.00 0.00 41.12 39.85 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 0.39 -0.88 0.00 -2.12 4.77 -1.26 -2.19 117.00 115.70 1pu0 n LEU 126 Ca 0.12 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 1pu0 n LEU 126 Cb 0.46 -1.85 0.00 0.00 -2.33 0.00 0.00 43.42 39.69 1pu0 n LEU 126 CO 0.11 -0.48 0.00 0.61 -1.33 0.00 0.00 177.39 176.30 1pu0 n GLY 127 N -0.35 0.70 2.79 -0.72 0.00 -1.26 -2.73 105.19 103.62 1pu0 n GLY 127 Ca -0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.08 3.27 0.11 1.61 4.01 -0.93 -4.61 118.16 119.54 1pu0 n LYS 128 Ca 0.00 -3.95 -0.06 0.00 -0.51 0.00 0.00 58.31 53.79 1pu0 n LYS 128 Cb 0.00 -2.29 -0.03 0.00 -0.51 0.00 0.00 35.03 32.20 1pu0 n LYS 128 CO 0.00 0.00 0.00 0.78 -1.11 0.00 0.00 177.40 177.07 1pu0 h GLY 129 N 3.05 -0.38 0.00 0.72 0.00 -1.85 -3.48 103.07 101.13 1pu0 h GLY 129 Ca 0.48 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.95 1pu0 h GLY 129 CO 1.24 -0.14 0.00 0.61 0.00 0.00 0.00 176.54 178.26 1pu0 n GLY 130 N 0.80 0.88 3.01 4.60 0.00 -1.26 -5.06 105.19 108.16 1pu0 n GLY 130 Ca -0.05 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.00 0.88 0.29 1.61 2.20 -1.26 -5.05 114.94 113.60 1pu0 s ASN 131 Ca 0.00 -0.20 0.02 0.00 -0.94 0.00 0.00 52.86 51.74 1pu0 s ASN 131 Cb 0.00 -0.08 0.71 0.00 -2.00 0.00 0.00 41.25 39.89 1pu0 s ASN 131 CO 0.00 0.05 1.66 1.05 -2.94 0.00 0.00 177.10 176.92 1pu0 h GLU 132 N 5.72 0.25 -1.00 3.55 4.11 -2.00 1.09 114.58 126.29 1pu0 h GLU 132 Ca -0.31 -0.01 0.25 0.00 0.07 0.00 0.00 59.36 59.36 1pu0 h GLU 132 Cb 1.19 -0.06 -0.08 0.00 0.50 0.00 0.00 28.75 30.30 1pu0 h GLU 132 CO 0.48 0.16 0.66 1.49 0.07 0.00 0.00 179.01 181.88 1pu0 h GLU 133 N 0.25 0.35 0.00 1.06 4.57 -1.99 1.22 114.58 120.05 1pu0 h GLU 133 Ca 0.55 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.69 1pu0 h GLU 133 Cb 1.10 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.61 1pu0 h GLU 133 CO -0.62 0.23 -0.10 1.03 -1.18 0.00 0.00 179.01 178.37 1pu0 h SER 134 N 0.36 0.00 -0.11 1.04 0.87 0.90 0.36 113.55 116.97 1pu0 h SER 134 Ca 0.55 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.92 1pu0 h SER 134 Cb 1.46 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.43 1pu0 h SER 134 CO -0.23 0.10 -0.65 0.74 -0.53 0.00 0.00 176.83 176.27 1pu0 h THR 135 N 0.00 1.33 0.27 2.23 2.02 0.15 -2.61 112.91 116.30 1pu0 h THR 135 Ca -0.00 -1.92 -0.01 0.00 0.77 0.00 0.00 66.41 65.25 1pu0 h THR 135 Cb 0.20 2.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.75 1pu0 h THR 135 CO 0.01 0.59 -0.13 0.11 0.37 0.00 0.00 175.52 176.47 1pu0 h LYS 136 N 0.29 -0.35 0.00 6.66 1.79 -0.79 0.13 116.57 124.30 1pu0 h LYS 136 Ca -0.05 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1pu0 h LYS 136 Cb 1.29 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 32.02 1pu0 h LYS 136 CO 0.13 -0.23 -0.85 0.25 -1.08 0.00 0.00 179.45 177.67 1pu0 n THR 137 N -3.32 0.00 -0.98 -0.16 -2.24 0.12 -4.67 114.28 103.03 1pu0 n THR 137 Ca -0.04 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1pu0 n THR 137 Cb 0.14 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 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 2.13 0.41 4.10 3.38 0.00 -0.98 -3.91 105.19 110.31 1pu0 n GLY 138 Ca -0.00 -0.94 -0.32 0.00 0.00 0.00 0.00 46.02 44.76 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 1.71 -2.29 -0.29 1.61 3.02 -1.26 -2.14 115.26 115.62 1pu0 n ASN 139 Ca 0.00 -0.99 0.14 0.00 -0.03 0.00 0.00 54.58 53.69 1pu0 n ASN 139 Cb 0.00 -2.96 0.48 0.00 -0.61 0.00 0.00 39.78 36.69 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 -4.43 2.86 0.00 5.41 0.00 -1.25 -4.63 120.51 118.47 1pu0 n ALA 140 Ca -0.08 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1pu0 n ALA 140 Cb 0.57 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.83 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 1.27 -1.46 3.87 0.00 0.00 -1.26 -0.29 105.19 107.32 1pu0 n GLY 141 Ca 0.15 -1.36 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 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 5.03 -0.37 1.61 1.04 -1.26 -4.61 113.70 111.14 1pu0 s SER 142 Ca 0.00 1.10 -0.19 0.00 0.48 0.00 0.00 55.95 57.34 1pu0 s SER 142 Cb 0.00 -1.83 0.01 0.00 0.10 0.00 0.00 66.02 64.29 1pu0 s SER 142 CO 0.00 -1.60 0.57 -0.13 0.98 0.00 0.00 173.24 173.06 1pu0 s ARG 143 N -5.35 3.54 -0.06 4.02 0.52 -1.26 -0.38 118.95 119.98 1pu0 s ARG 143 Ca 0.59 -0.17 -0.15 0.00 -0.52 0.00 0.00 55.73 55.49 1pu0 s ARG 143 Cb -0.12 -3.85 -0.30 0.00 0.52 0.00 0.00 34.95 31.21 1pu0 s ARG 143 CO 0.52 -0.76 0.68 -0.07 0.02 0.00 0.00 175.30 175.70 1pu0 h LEU 144 N 9.30 0.52 -7.54 2.53 3.38 -1.54 -3.47 115.31 118.49 1pu0 h LEU 144 Ca -0.27 -0.90 -0.09 0.00 0.09 0.00 0.00 57.88 56.71 1pu0 h LEU 144 Cb 1.11 -0.17 -0.16 0.00 0.09 0.00 0.00 40.66 41.53 1pu0 h LEU 144 CO 0.82 1.65 -0.22 0.00 0.09 0.00 0.00 178.44 180.78 1pu0 s ALA 145 N -2.51 -0.71 0.22 1.53 0.00 -1.22 -4.10 121.76 114.96 1pu0 s ALA 145 Ca -0.17 -0.01 -0.21 0.00 0.00 0.00 0.00 51.96 51.57 1pu0 s ALA 145 Cb 0.04 0.37 0.04 0.00 0.00 0.00 0.00 23.12 23.57 1pu0 s ALA 145 CO 0.82 -0.45 0.64 0.00 0.00 0.00 0.00 175.76 176.77 1pu0 s GLY 147 N -2.84 -0.57 0.24 0.00 0.00 -0.82 -1.07 107.32 102.26 1pu0 s GLY 147 Ca 0.07 1.04 -0.27 0.00 0.00 0.00 0.00 44.72 45.55 1pu0 s GLY 147 CO -0.03 0.63 0.89 0.14 0.00 0.00 0.00 173.10 174.73 1pu0 s VAL 148 N -2.26 4.21 -0.31 1.40 1.01 -1.26 -1.20 120.40 121.99 1pu0 s VAL 148 Ca -0.05 1.88 -0.23 0.00 0.00 0.00 0.00 61.98 63.58 1pu0 s VAL 148 Cb -0.00 -4.17 -0.00 0.00 0.00 0.00 0.00 36.38 32.20 1pu0 s VAL 148 CO -0.00 0.39 0.75 -0.63 0.00 0.00 0.00 175.10 175.61 1pu0 s ILE 149 N -1.31 4.82 0.16 2.22 1.01 0.56 -4.51 121.20 124.15 1pu0 s ILE 149 Ca 0.42 1.06 0.07 0.00 0.00 0.00 0.00 60.65 62.20 1pu0 s ILE 149 Cb -0.23 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 1pu0 s ILE 149 CO 0.28 -0.25 0.00 -0.83 0.00 0.00 0.00 174.94 174.14 1pu0 s GLY 150 N 1.65 1.76 0.18 6.18 0.00 0.76 0.23 107.32 118.07 1pu0 s GLY 150 Ca 0.30 -1.32 -0.30 0.00 0.00 0.00 0.00 44.72 43.40 1pu0 s GLY 150 CO 0.13 -1.33 1.34 -0.42 0.00 0.00 0.00 173.10 172.82 1pu0 s ILE 151 N -1.64 3.21 0.26 0.90 1.01 -1.26 0.24 121.20 123.91 1pu0 s ILE 151 Ca 0.27 0.96 0.11 0.00 0.00 0.00 0.00 60.65 61.99 1pu0 s ILE 151 Cb -0.10 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 38.71 1pu0 s ILE 151 CO 0.19 0.13 -0.12 0.00 0.00 0.00 0.00 174.94 175.13 1pu0 s ALA 152 N 0.36 2.91 -2.00 9.38 0.00 -0.50 -4.76 121.76 127.14 1pu0 s ALA 152 Ca 0.59 -1.73 0.27 0.00 0.00 0.00 0.00 51.96 51.08 1pu0 s ALA 152 Cb -0.37 -0.51 1.59 0.00 0.00 0.00 0.00 23.12 23.83 1pu0 s ALA 152 CO 0.36 0.31 1.94 0.94 0.00 0.00 0.00 175.76 179.31