#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pu0 n THR 2 N 0.00 0.00 -4.15 0.00 -2.24 -1.26 -4.73 114.28 101.89 1pu0 n THR 2 Ca 0.00 -0.27 -0.16 0.00 -2.27 0.00 0.00 64.05 61.35 1pu0 n THR 2 Cb 0.00 0.37 -0.12 0.00 -2.10 0.00 0.00 70.33 68.49 1pu0 n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1pu0 s LYS 3 N -2.71 0.77 0.13 -0.78 1.02 -1.26 -0.67 119.74 116.25 1pu0 s LYS 3 Ca -0.03 -0.97 -0.05 0.00 0.02 0.00 0.00 55.97 54.95 1pu0 s LYS 3 Cb 0.08 -0.66 -0.02 0.00 -0.52 0.00 0.00 37.83 36.71 1pu0 s LYS 3 CO 0.50 0.13 0.15 0.00 -0.92 0.00 0.00 175.35 175.22 1pu0 s ALA 4 N -1.57 0.40 0.05 5.17 0.00 -0.44 -1.23 121.76 124.13 1pu0 s ALA 4 Ca -0.02 -1.14 -0.14 0.00 0.00 0.00 0.00 51.96 50.66 1pu0 s ALA 4 Cb -0.08 0.78 0.02 0.00 0.00 0.00 0.00 23.12 23.84 1pu0 s ALA 4 CO 0.01 -0.54 0.30 0.54 0.00 0.00 0.00 175.76 176.08 1pu0 s VAL 5 N -3.99 0.08 -0.07 0.00 0.11 -0.22 -1.14 120.40 115.18 1pu0 s VAL 5 Ca 0.18 -0.69 -0.03 0.00 -2.93 0.00 0.00 61.98 58.51 1pu0 s VAL 5 Cb 0.06 -0.95 0.03 0.00 -1.53 0.00 0.00 36.38 33.99 1pu0 s VAL 5 CO -0.01 -0.38 0.15 0.00 -3.33 0.00 0.00 175.10 171.53 1pu0 s VAL 7 N 0.97 4.76 -0.15 0.00 1.01 -1.26 -0.70 120.40 125.02 1pu0 s VAL 7 Ca -0.07 -0.32 -0.17 0.00 0.00 0.00 0.00 61.98 61.42 1pu0 s VAL 7 Cb -0.09 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 1pu0 s VAL 7 CO -0.05 0.09 0.42 -0.76 0.00 0.00 0.00 175.10 174.80 1pu0 s LEU 8 N 1.64 4.23 0.06 3.92 1.43 -0.04 -4.04 118.68 125.88 1pu0 s LEU 8 Ca 0.05 0.67 -0.07 0.00 -1.03 0.00 0.00 54.13 53.76 1pu0 s LEU 8 Cb -0.17 -2.59 -0.01 0.00 0.03 0.00 0.00 46.19 43.46 1pu0 s LEU 8 CO 0.07 -0.01 0.13 -0.54 0.23 0.00 0.00 176.35 176.24 1pu0 s LYS 9 N 0.80 0.70 0.00 1.70 -0.14 -0.69 -1.77 119.74 120.34 1pu0 s LYS 9 Ca 0.22 -0.85 0.00 0.00 -1.36 0.00 0.00 55.97 53.98 1pu0 s LYS 9 Cb -0.15 0.28 0.00 0.00 -1.68 0.00 0.00 37.83 36.28 1pu0 s LYS 9 CO 0.08 -0.19 0.00 0.41 -0.76 0.00 0.00 175.35 174.89 1pu0 n GLY 10 N 0.39 4.03 0.09 -3.33 0.00 -1.25 -1.03 105.19 104.09 1pu0 n GLY 10 Ca -0.17 -0.74 -0.04 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.53 1.61 3.45 -1.92 -3.48 116.42 114.55 1pu0 h ASP 11 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 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 0.80 0.00 0.61 -1.57 0.00 0.00 179.24 179.08 1pu0 n GLY 12 N 1.40 1.72 0.13 2.75 0.00 -1.26 -5.00 105.19 104.94 1pu0 n GLY 12 Ca -0.07 -1.98 0.15 0.00 0.00 0.00 0.00 46.02 44.12 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 1.03 -2.55 1.61 -0.04 -1.26 -4.90 135.00 128.89 1pu0 n PRO 13 Ca 0.00 -0.26 -0.42 0.00 -0.04 0.00 0.00 63.50 62.77 1pu0 n PRO 13 Cb 0.00 -1.49 -0.03 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 -2.15 4.45 0.07 0.52 1.01 -1.26 -4.43 120.40 118.61 1pu0 s VAL 14 Ca 0.40 1.76 -0.18 0.00 0.00 0.00 0.00 61.98 63.95 1pu0 s VAL 14 Cb 0.21 -4.13 0.04 0.00 0.00 0.00 0.00 36.38 32.50 1pu0 s VAL 14 CO 0.39 0.07 0.43 0.00 0.00 0.00 0.00 175.10 175.99 1pu0 s GLN 15 N 1.61 0.99 0.00 2.72 -2.07 -0.70 -3.86 119.66 118.35 1pu0 s GLN 15 Ca 0.54 -0.46 0.00 0.00 -1.82 0.00 0.00 55.36 53.62 1pu0 s GLN 15 Cb -0.24 0.44 0.00 0.00 -1.09 0.00 0.00 33.01 32.13 1pu0 s GLN 15 CO 0.24 -0.36 0.00 0.41 -1.32 0.00 0.00 175.29 174.26 1pu0 n GLY 16 N 0.23 -1.21 2.99 2.60 0.00 -0.73 -0.86 105.19 108.20 1pu0 n GLY 16 Ca -0.18 -0.94 -0.26 0.00 0.00 0.00 0.00 46.02 44.65 1pu0 n GLY 16 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pu0 s ILE 17 N -2.43 1.13 -0.08 -0.61 1.01 -0.84 -0.86 121.20 118.52 1pu0 s ILE 17 Ca 0.00 -0.43 0.05 0.00 0.00 0.00 0.00 60.65 60.27 1pu0 s ILE 17 Cb 0.00 -1.07 -0.01 0.00 0.01 0.00 0.00 42.46 41.39 1pu0 s ILE 17 CO 0.00 0.37 -0.23 -0.63 0.00 0.00 0.00 174.94 174.44 1pu0 s ILE 18 N 1.06 2.18 -0.03 2.92 -1.09 0.12 -2.44 121.20 123.92 1pu0 s ILE 18 Ca -0.07 -1.00 -0.02 0.00 -2.23 0.00 0.00 60.65 57.33 1pu0 s ILE 18 Cb -0.15 -1.82 -0.04 0.00 -1.58 0.00 0.00 42.46 38.88 1pu0 s ILE 18 CO -0.01 0.56 0.10 0.20 -1.23 0.00 0.00 174.94 174.56 1pu0 s ASN 19 N 0.04 5.83 -0.04 3.58 0.01 0.18 -0.38 114.94 124.15 1pu0 s ASN 19 Ca -0.09 0.22 0.05 0.00 -0.71 0.00 0.00 52.86 52.32 1pu0 s ASN 19 Cb -0.15 -1.73 -0.01 0.00 0.41 0.00 0.00 41.25 39.78 1pu0 s ASN 19 CO 0.06 0.30 -0.19 -0.36 -1.51 0.00 0.00 177.10 175.40 1pu0 s PHE 20 N -1.16 1.82 -0.03 2.20 0.08 -0.29 -0.74 117.98 119.86 1pu0 s PHE 20 Ca 0.22 -0.51 0.01 0.00 0.12 0.00 0.00 56.93 56.77 1pu0 s PHE 20 Cb -0.12 -1.22 0.01 0.00 -0.57 0.00 0.00 43.02 41.13 1pu0 s PHE 20 CO 0.12 -0.16 -0.04 -2.00 -0.10 0.00 0.00 175.22 173.04 1pu0 s GLU 21 N -0.05 0.64 -0.30 0.44 2.12 0.61 -1.32 118.70 120.85 1pu0 s GLU 21 Ca -0.03 -0.12 -0.03 0.00 0.36 0.00 0.00 54.97 55.16 1pu0 s GLU 21 Cb -0.11 -0.67 0.10 0.00 0.26 0.00 0.00 34.13 33.71 1pu0 s GLU 21 CO 0.02 -0.02 0.11 -1.14 -0.54 0.00 0.00 175.26 173.70 1pu0 s GLN 22 N 0.57 0.41 0.40 4.30 0.74 0.16 -0.27 119.66 125.96 1pu0 s GLN 22 Ca -0.07 -0.75 0.18 0.00 0.05 0.00 0.00 55.36 54.77 1pu0 s GLN 22 Cb -0.10 -1.52 0.81 0.00 1.10 0.00 0.00 33.01 33.30 1pu0 s GLN 22 CO -0.00 -1.00 1.81 0.87 -0.55 0.00 0.00 175.29 176.42 1pu0 h LYS 23 N 8.27 0.00 -5.76 1.67 1.57 -1.82 -3.41 116.57 117.09 1pu0 h LYS 23 Ca -0.17 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.12 1pu0 h LYS 23 Cb 1.01 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.15 1pu0 h LYS 23 CO 0.45 0.34 -0.77 -1.21 -0.57 0.00 0.00 179.45 177.69 1pu0 s GLU 24 N -3.86 1.20 0.19 3.15 2.02 -1.26 -5.03 118.70 115.11 1pu0 s GLU 24 Ca -0.01 -1.36 -0.13 0.00 0.02 0.00 0.00 54.97 53.49 1pu0 s GLU 24 Cb 0.12 -1.19 0.21 0.00 0.10 0.00 0.00 34.13 33.37 1pu0 s GLU 24 CO 0.68 0.24 1.70 1.03 0.02 0.00 0.00 175.26 178.93 1pu0 h SER 25 N 3.31 -0.06 -0.62 -0.19 0.87 -1.97 -1.45 113.55 113.43 1pu0 h SER 25 Ca -0.41 0.10 -0.34 0.00 -1.23 0.00 0.00 61.79 59.91 1pu0 h SER 25 Cb 1.20 0.15 -0.20 0.00 -0.44 0.00 0.00 62.40 63.12 1pu0 h SER 25 CO 0.51 -0.01 0.19 -0.46 -0.53 0.00 0.00 176.83 176.54 1pu0 n ASN 26 N -5.15 3.25 -4.89 6.23 6.94 -1.26 -4.96 115.26 115.42 1pu0 n ASN 26 Ca 0.06 -3.73 -0.20 0.00 -0.02 0.00 0.00 54.58 50.68 1pu0 n ASN 26 Cb 0.27 -0.72 -0.03 0.00 -2.36 0.00 0.00 39.78 36.94 1pu0 n ASN 26 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1pu0 s GLY 27 N -2.12 2.06 0.61 4.83 0.00 -0.55 -5.08 107.32 107.08 1pu0 s GLY 27 Ca 0.50 -1.83 -0.18 0.00 0.00 0.00 0.00 44.72 43.21 1pu0 s GLY 27 CO 0.04 -1.66 1.19 2.56 0.00 0.00 0.00 173.10 175.22 1pu0 s PRO 28 N -4.13 2.93 -0.21 2.90 0.04 -1.26 -4.84 135.00 130.42 1pu0 s PRO 28 Ca 0.48 1.74 -0.09 0.00 0.04 0.00 0.00 61.00 63.17 1pu0 s PRO 28 Cb -0.04 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1pu0 s PRO 28 CO 0.28 -1.22 0.11 0.08 0.04 0.00 0.00 177.00 176.29 1pu0 s VAL 29 N -1.74 5.06 -0.02 -0.36 1.01 0.82 -4.41 120.40 120.77 1pu0 s VAL 29 Ca 0.75 0.07 -0.19 0.00 0.00 0.00 0.00 61.98 62.62 1pu0 s VAL 29 Cb -0.28 -3.32 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 1pu0 s VAL 29 CO 0.34 0.41 0.53 -0.54 0.00 0.00 0.00 175.10 175.83 1pu0 s LYS 30 N 0.71 4.22 -0.15 2.72 -0.14 0.63 -0.87 119.74 126.86 1pu0 s LYS 30 Ca 0.06 0.61 0.00 0.00 -1.36 0.00 0.00 55.97 55.28 1pu0 s LYS 30 Cb -0.13 -3.32 0.03 0.00 -1.68 0.00 0.00 37.83 32.73 1pu0 s LYS 30 CO 0.02 0.43 -0.12 0.08 -0.76 0.00 0.00 175.35 175.00 1pu0 s VAL 31 N -0.34 1.46 0.09 3.17 1.01 0.17 -0.29 120.40 125.68 1pu0 s VAL 31 Ca 0.28 -0.65 -0.15 0.00 0.00 0.00 0.00 61.98 61.47 1pu0 s VAL 31 Cb -0.17 -1.44 0.03 0.00 0.00 0.00 0.00 36.38 34.79 1pu0 s VAL 31 CO 0.15 0.36 0.34 -1.66 0.00 0.00 0.00 175.10 174.30 1pu0 s TRP 32 N 1.52 -0.13 -5.00 5.22 -2.14 0.09 -0.65 118.94 117.85 1pu0 s TRP 32 Ca 0.03 -0.13 0.00 0.00 2.66 0.00 0.00 56.10 58.66 1pu0 s TRP 32 Cb -0.14 0.16 0.00 0.00 -3.10 0.00 0.00 33.47 30.40 1pu0 s TRP 32 CO -0.10 -0.61 0.00 0.41 -2.66 0.00 0.00 176.95 173.99 1pu0 n GLY 33 N 0.07 -0.23 2.94 3.67 0.00 -1.11 0.50 105.19 111.03 1pu0 n GLY 33 Ca -0.17 -1.39 -0.17 0.00 0.00 0.00 0.00 46.02 44.29 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 0.68 -0.09 1.61 0.15 -1.02 -1.05 113.70 109.98 1pu0 s SER 34 Ca 0.00 -0.10 0.03 0.00 0.70 0.00 0.00 55.95 56.58 1pu0 s SER 34 Cb 0.00 -0.14 0.01 0.00 -1.71 0.00 0.00 66.02 64.18 1pu0 s SER 34 CO 0.00 0.04 -0.18 -0.63 1.20 0.00 0.00 173.24 173.67 1pu0 s ILE 35 N 0.10 1.60 0.41 6.45 1.01 -0.44 -1.99 121.20 128.34 1pu0 s ILE 35 Ca -0.01 -0.74 0.07 0.00 0.00 0.00 0.00 60.65 59.98 1pu0 s ILE 35 Cb -0.05 -1.42 -0.07 0.00 0.01 0.00 0.00 42.46 40.93 1pu0 s ILE 35 CO -0.00 0.46 0.03 -1.59 0.00 0.00 0.00 174.94 173.84 1pu0 s LYS 36 N 0.63 2.00 0.00 2.79 -2.85 -0.04 -0.03 119.74 122.23 1pu0 s LYS 36 Ca -0.14 -2.05 0.00 0.00 -1.00 0.00 0.00 55.97 52.78 1pu0 s LYS 36 Cb -0.16 -1.71 0.00 0.00 -2.06 0.00 0.00 37.83 33.90 1pu0 s LYS 36 CO 0.04 -0.05 0.00 0.41 0.10 0.00 0.00 175.35 175.85 1pu0 n GLY 37 N -1.00 0.59 3.88 0.59 0.00 -0.89 -1.73 105.19 106.63 1pu0 n GLY 37 Ca -0.04 -0.09 -0.30 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 3.97 0.41 0.99 1.43 -0.73 -4.39 118.68 120.37 1pu0 s LEU 38 Ca 0.00 0.98 -0.25 0.00 -1.03 0.00 0.00 54.13 53.83 1pu0 s LEU 38 Cb 0.00 -3.81 -0.08 0.00 0.03 0.00 0.00 46.19 42.32 1pu0 s LEU 38 CO 0.00 -0.27 1.16 0.42 0.23 0.00 0.00 176.35 177.89 1pu0 s THR 39 N -2.17 3.18 0.25 5.49 -4.23 -1.26 -4.10 115.64 112.80 1pu0 s THR 39 Ca 0.49 0.96 -0.31 0.00 -1.18 0.00 0.00 61.69 61.65 1pu0 s THR 39 Cb -0.11 -3.53 -0.13 0.00 1.34 0.00 0.00 72.50 70.08 1pu0 s THR 39 CO 0.28 0.06 1.38 1.21 -0.54 0.00 0.00 174.62 177.02 1pu0 n GLU 40 N -0.05 2.03 0.00 3.99 2.13 -1.26 -4.55 120.64 122.93 1pu0 n GLU 40 Ca 0.05 0.72 0.00 0.00 0.66 0.00 0.00 57.16 58.59 1pu0 n GLU 40 Cb 0.47 -2.36 0.00 0.00 0.27 0.00 0.00 31.44 29.82 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 1.95 0.45 3.74 8.31 0.00 0.13 -4.89 105.19 114.87 1pu0 n GLY 41 Ca 0.11 -2.28 -0.40 0.00 0.00 0.00 0.00 46.02 43.44 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 -0.06 0.99 1.43 -1.26 -0.75 118.68 123.56 1pu0 s LEU 42 Ca 0.00 1.72 0.01 0.00 -1.03 0.00 0.00 54.13 54.83 1pu0 s LEU 42 Cb 0.00 -3.47 0.02 0.00 0.03 0.00 0.00 46.19 42.77 1pu0 s LEU 42 CO 0.00 0.03 -0.07 -1.00 0.23 0.00 0.00 176.35 175.55 1pu0 s HIS 43 N -0.39 0.99 0.67 0.29 3.76 0.10 -3.11 115.29 117.60 1pu0 s HIS 43 Ca 0.42 -0.33 -0.17 0.00 -0.15 0.00 0.00 55.06 54.83 1pu0 s HIS 43 Cb -0.23 -0.82 -0.01 0.00 1.11 0.00 0.00 32.58 32.63 1pu0 s HIS 43 CO 0.28 -0.24 1.11 0.41 -0.85 0.00 0.00 174.74 175.44 1pu0 n GLY 44 N 4.11 0.00 2.89 -2.22 0.00 -0.24 -1.01 105.19 108.73 1pu0 n GLY 44 Ca -0.22 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.59 -0.81 0.05 1.61 5.36 -0.13 -1.01 117.98 121.46 1pu0 s PHE 45 Ca 0.78 0.58 -0.04 0.00 -0.96 0.00 0.00 56.93 57.29 1pu0 s PHE 45 Cb -0.37 -0.09 -0.02 0.00 -0.34 0.00 0.00 43.02 42.19 1pu0 s PHE 45 CO 0.45 -0.80 0.05 -1.01 -1.46 0.00 0.00 175.22 172.45 1pu0 s HIS 46 N 2.52 0.33 -0.23 10.12 3.76 -0.88 -2.48 115.29 128.43 1pu0 s HIS 46 Ca 0.11 -0.76 -0.21 0.00 -0.15 0.00 0.00 55.06 54.04 1pu0 s HIS 46 Cb -0.15 -0.24 -0.02 0.00 1.11 0.00 0.00 32.58 33.29 1pu0 s HIS 46 CO -0.21 -0.39 0.68 0.08 -0.85 0.00 0.00 174.74 174.04 1pu0 s VAL 47 N -3.32 4.97 0.22 -0.90 1.01 -0.61 -1.16 120.40 120.60 1pu0 s VAL 47 Ca 0.01 1.26 0.05 0.00 0.00 0.00 0.00 61.98 63.29 1pu0 s VAL 47 Cb 0.03 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 1pu0 s VAL 47 CO -0.08 0.04 0.34 -1.00 0.00 0.00 0.00 175.10 174.40 1pu0 s HIS 48 N 2.33 3.45 0.07 5.22 3.76 0.73 -0.43 115.29 130.42 1pu0 s HIS 48 Ca 0.29 0.01 -0.21 0.00 -0.15 0.00 0.00 55.06 55.00 1pu0 s HIS 48 Cb -0.16 -1.59 -0.12 0.00 1.11 0.00 0.00 32.58 31.83 1pu0 s HIS 48 CO 0.09 0.46 1.58 1.49 -0.85 0.00 0.00 174.74 177.51 1pu0 h GLU 49 N 1.37 0.21 -5.76 1.40 4.81 -0.86 -2.57 114.58 113.18 1pu0 h GLU 49 Ca -0.51 -0.04 -0.66 0.00 -0.13 0.00 0.00 59.36 58.01 1pu0 h GLU 49 Cb 1.22 -0.03 -0.16 0.00 0.63 0.00 0.00 28.75 30.41 1pu0 h GLU 49 CO 0.63 0.34 -0.62 -0.06 -0.73 0.00 0.00 179.01 178.56 1pu0 s PHE 50 N -5.41 3.15 -0.46 0.92 0.08 -0.25 -4.67 117.98 111.34 1pu0 s PHE 50 Ca -0.14 0.09 -0.05 0.00 0.12 0.00 0.00 56.93 56.95 1pu0 s PHE 50 Cb 0.06 -1.86 -0.03 0.00 -0.57 0.00 0.00 43.02 40.62 1pu0 s PHE 50 CO 0.70 0.34 2.99 0.41 -0.10 0.00 0.00 175.22 179.55 1pu0 n GLY 51 N 2.57 4.05 3.14 4.36 0.00 -1.07 -3.81 105.19 114.42 1pu0 n GLY 51 Ca -0.18 -1.70 -0.35 0.00 0.00 0.00 0.00 46.02 43.79 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 0.89 5.00 -0.21 1.61 3.68 -1.26 -4.97 116.67 121.42 1pu0 s ASP 52 Ca 0.61 -1.64 0.15 0.00 2.13 0.00 0.00 52.55 53.80 1pu0 s ASP 52 Cb 0.34 -1.74 0.76 0.00 -1.45 0.00 0.00 42.92 40.83 1pu0 s ASP 52 CO -0.14 -0.37 1.68 -3.20 0.13 0.00 0.00 175.17 173.26 1pu0 n ASN 53 N 4.57 5.28 0.24 -0.34 4.05 -1.26 -3.17 115.26 124.63 1pu0 n ASN 53 Ca -0.07 -2.85 0.10 0.00 0.45 0.00 0.00 54.58 52.20 1pu0 n ASN 53 Cb 0.42 -0.64 0.59 0.00 1.23 0.00 0.00 39.78 41.38 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 3.67 0.74 -1.07 -0.44 1.35 -1.93 -2.72 112.91 112.52 1pu0 h THR 54 Ca 0.00 -0.80 -0.53 0.00 -0.55 0.00 0.00 66.41 64.52 1pu0 h THR 54 Cb 1.80 1.49 -0.42 0.00 -1.73 0.00 0.00 68.15 69.29 1pu0 h THR 54 CO 0.40 0.19 -0.83 0.00 -0.25 0.00 0.00 175.52 175.04 1pu0 n ALA 55 N -2.32 4.76 -0.38 6.62 0.00 -1.26 -5.06 120.51 122.87 1pu0 n ALA 55 Ca -0.01 -3.90 0.00 0.00 0.00 0.00 0.00 53.44 49.53 1pu0 n ALA 55 Cb 0.31 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.27 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 -0.56 -0.34 0.14 0.00 0.00 -1.03 -3.36 105.19 100.04 1pu0 n GLY 56 Ca 0.37 -1.06 0.13 0.00 0.00 0.00 0.00 46.02 45.46 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 1.17 0.00 0.00 2.02 -1.90 -2.32 112.91 111.88 1pu0 h THR 58 Ca 0.00 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1pu0 h THR 58 Cb 0.61 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1pu0 h THR 58 CO 0.00 0.19 0.00 -1.54 0.37 0.00 0.00 175.52 174.54 1pu0 n SER 59 N -4.43 0.00 0.06 4.18 3.41 -1.21 -2.90 113.62 112.74 1pu0 n SER 59 Ca 0.10 -1.71 0.11 0.00 -0.26 0.00 0.00 58.87 57.10 1pu0 n SER 59 Cb 0.06 0.00 0.44 0.00 -0.26 0.00 0.00 64.21 64.45 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 -0.64 1.86 -0.44 7.33 0.00 -0.87 -4.39 120.51 123.36 1pu0 n ALA 60 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1pu0 n ALA 60 Cb 0.03 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 0.43 -0.44 3.47 0.00 0.00 -1.14 -1.09 105.19 106.42 1pu0 n GLY 61 Ca 0.04 -1.10 -0.23 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.01 -0.49 -1.71 1.61 -0.04 -1.26 -4.65 135.00 128.45 1pu0 n PRO 62 Ca 0.00 -2.20 -0.40 0.00 -0.04 0.00 0.00 63.50 60.87 1pu0 n PRO 62 Cb 0.00 -0.85 0.02 0.00 -0.04 0.00 0.00 33.50 32.63 1pu0 n PRO 62 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1pu0 n HIS 63 N -3.09 2.12 -2.00 0.54 8.25 -1.26 -0.83 115.22 118.96 1pu0 n HIS 63 Ca 0.15 0.47 -0.42 0.00 -0.26 0.00 0.00 57.72 57.66 1pu0 n HIS 63 Cb 0.52 -2.36 -0.03 0.00 1.12 0.00 0.00 29.99 29.24 1pu0 n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1pu0 s PHE 64 N -1.25 2.21 -0.39 4.41 5.99 0.42 -4.49 117.98 124.89 1pu0 s PHE 64 Ca 0.65 0.30 0.10 0.00 0.00 0.00 0.00 56.93 57.98 1pu0 s PHE 64 Cb -0.47 -3.91 0.34 0.00 0.00 0.00 0.00 43.02 38.98 1pu0 s PHE 64 CO 0.55 -3.72 0.81 -1.71 -0.00 0.00 0.00 175.22 171.15 1pu0 n ASN 65 N 6.42 0.07 0.30 6.13 5.15 -1.26 -1.17 115.26 130.90 1pu0 n ASN 65 Ca 0.16 -3.16 0.20 0.00 -0.60 0.00 0.00 54.58 51.18 1pu0 n ASN 65 Cb 0.42 -0.03 0.94 0.00 -0.53 0.00 0.00 39.78 40.58 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 3.04 0.00 -0.43 1.20 0.13 -1.94 -1.87 132.00 132.14 1pu0 h PRO 66 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 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 0.41 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.46 1pu0 n LEU 67 N -3.01 3.25 -3.61 1.56 4.77 -1.26 -4.97 117.00 113.74 1pu0 n LEU 67 Ca -0.01 -1.74 -0.21 0.00 -0.03 0.00 0.00 56.01 54.02 1pu0 n LEU 67 Cb 0.17 -0.28 0.05 0.00 -2.33 0.00 0.00 43.42 41.03 1pu0 n LEU 67 CO 0.22 0.76 -0.03 -1.20 -1.33 0.00 0.00 177.39 175.82 1pu0 n SER 68 N 1.12 -2.48 -4.87 -1.43 7.64 -0.70 -4.99 113.62 107.91 1pu0 n SER 68 Ca 0.17 -0.81 -0.27 0.00 1.01 0.00 0.00 58.87 58.97 1pu0 n SER 68 Cb 0.52 -4.26 -0.02 0.00 -1.01 0.00 0.00 64.21 59.44 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 -5.70 2.25 0.60 1.43 0.52 -1.26 -5.12 118.95 111.68 1pu0 s ARG 69 Ca 0.12 -2.05 -0.12 0.00 -0.52 0.00 0.00 55.73 53.15 1pu0 s ARG 69 Cb -0.03 -2.02 -0.04 0.00 0.52 0.00 0.00 34.95 33.38 1pu0 s ARG 69 CO 0.80 -0.55 1.02 0.15 0.02 0.00 0.00 175.30 176.75 1pu0 s LYS 70 N -4.20 3.62 0.27 3.54 -0.14 -1.26 -4.71 119.74 116.86 1pu0 s LYS 70 Ca 0.30 0.81 -0.30 0.00 -1.36 0.00 0.00 55.97 55.43 1pu0 s LYS 70 Cb -0.01 -2.08 -0.10 0.00 -1.68 0.00 0.00 37.83 33.95 1pu0 s LYS 70 CO 0.19 -0.55 1.38 -1.58 -0.76 0.00 0.00 175.35 174.02 1pu0 s HIS 71 N -3.05 3.05 0.00 3.18 5.65 -0.49 -3.12 115.29 120.51 1pu0 s HIS 71 Ca 0.56 1.19 0.00 0.00 0.25 0.00 0.00 55.06 57.07 1pu0 s HIS 71 Cb -0.11 -3.74 0.00 0.00 -1.18 0.00 0.00 32.58 27.55 1pu0 s HIS 71 CO 0.49 -2.28 0.00 0.41 -0.65 0.00 0.00 174.74 172.72 1pu0 n GLY 72 N 1.69 3.84 3.96 1.59 0.00 -1.25 -4.37 105.19 110.66 1pu0 n GLY 72 Ca 0.04 -1.34 -0.22 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.56 1.56 0.56 -0.02 0.00 -1.18 -4.62 107.32 103.07 1pu0 s GLY 73 Ca 0.00 -1.11 0.27 0.00 0.00 0.00 0.00 44.72 43.88 1pu0 s GLY 73 CO 0.00 -0.96 2.20 -0.56 0.00 0.00 0.00 173.10 173.79 1pu0 h PRO 74 N 0.48 0.00 0.00 2.90 0.13 -1.86 -2.29 132.00 131.36 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 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1pu0 h PRO 74 CO 0.57 0.03 0.00 1.63 -0.23 0.00 0.00 178.00 180.00 1pu0 n LYS 75 N -3.91 0.27 -2.79 0.86 5.02 -1.26 -4.87 118.16 111.48 1pu0 n LYS 75 Ca -0.03 0.23 -0.34 0.00 -2.02 0.00 0.00 58.31 56.15 1pu0 n LYS 75 Cb 0.12 -1.82 -0.07 0.00 -0.02 0.00 0.00 35.03 33.24 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 -4.58 6.96 0.16 4.39 -0.00 -0.86 -4.98 116.67 117.76 1pu0 s ASP 76 Ca 0.10 1.74 -0.06 0.00 -0.00 0.00 0.00 52.55 54.33 1pu0 s ASP 76 Cb 0.12 -2.55 0.01 0.00 -0.00 0.00 0.00 42.92 40.51 1pu0 s ASP 76 CO 0.60 -0.35 1.44 -0.08 -0.00 0.00 0.00 175.17 176.78 1pu0 h GLU 77 N 2.10 0.66 -5.42 8.23 4.22 -1.89 -3.38 114.58 119.09 1pu0 h GLU 77 Ca -0.49 -0.45 -0.63 0.00 0.08 0.00 0.00 59.36 57.87 1pu0 h GLU 77 Cb 1.19 0.06 -0.15 0.00 0.50 0.00 0.00 28.75 30.35 1pu0 h GLU 77 CO 0.62 1.07 0.58 -2.00 -2.18 0.00 0.00 179.01 177.09 1pu0 s GLU 78 N -3.95 3.16 0.17 1.92 2.56 -1.26 -4.95 118.70 116.35 1pu0 s GLU 78 Ca -0.08 -0.91 -0.19 0.00 0.00 0.00 0.00 54.97 53.79 1pu0 s GLU 78 Cb 0.10 -4.30 0.04 0.00 2.00 0.00 0.00 34.13 31.97 1pu0 s GLU 78 CO 0.86 -1.82 0.52 -0.98 -0.56 0.00 0.00 175.26 173.28 1pu0 s ARG 79 N 3.98 1.30 0.44 4.30 1.70 -1.20 -3.82 118.95 125.66 1pu0 s ARG 79 Ca 0.23 -0.73 -0.22 0.00 -0.47 0.00 0.00 55.73 54.54 1pu0 s ARG 79 Cb -0.16 0.53 -0.09 0.00 -0.57 0.00 0.00 34.95 34.66 1pu0 s ARG 79 CO 0.08 -0.55 1.01 -1.01 -1.08 0.00 0.00 175.30 173.75 1pu0 s HIS 80 N -3.83 3.19 0.34 5.89 3.76 -1.18 -4.69 115.29 118.77 1pu0 s HIS 80 Ca 0.06 1.61 0.07 0.00 -0.15 0.00 0.00 55.06 56.65 1pu0 s HIS 80 Cb -0.01 -3.01 0.75 0.00 1.11 0.00 0.00 32.58 31.42 1pu0 s HIS 80 CO -0.07 -0.52 1.88 0.28 -0.85 0.00 0.00 174.74 175.46 1pu0 h VAL 81 N 1.87 0.89 -0.04 -0.90 2.07 -1.84 -0.67 116.25 117.63 1pu0 h VAL 81 Ca -0.49 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1pu0 h VAL 81 Cb 1.21 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1pu0 h VAL 81 CO 0.61 0.14 0.00 0.61 0.02 0.00 0.00 177.57 178.95 1pu0 n GLY 82 N -1.42 -0.82 3.57 2.17 0.00 -0.32 -4.43 105.19 103.95 1pu0 n GLY 82 Ca 0.16 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.10 6.32 0.00 1.61 1.01 -0.26 -1.58 116.67 122.68 1pu0 s ASP 83 Ca 0.07 -0.07 0.17 0.00 0.71 0.00 0.00 52.55 53.42 1pu0 s ASP 83 Cb 0.03 -2.56 0.41 0.00 1.01 0.00 0.00 42.92 41.81 1pu0 s ASP 83 CO 0.05 -1.63 1.32 0.18 0.21 0.00 0.00 175.17 175.31 1pu0 n LEU 84 N 8.87 3.24 0.00 1.23 4.77 -1.04 -3.83 117.00 130.24 1pu0 n LEU 84 Ca 0.07 -1.79 0.00 0.00 -0.03 0.00 0.00 56.01 54.26 1pu0 n LEU 84 Cb 0.49 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1pu0 n LEU 84 CO 0.71 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 178.15 1pu0 n GLY 85 N 1.06 0.39 3.58 -0.72 0.00 -1.21 -4.76 105.19 103.54 1pu0 n GLY 85 Ca 0.16 -0.97 -0.27 0.00 0.00 0.00 0.00 46.02 44.94 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 4.30 0.23 1.61 0.01 -1.26 -0.95 114.94 114.88 1pu0 s ASN 86 Ca 0.00 -0.57 0.10 0.00 -0.71 0.00 0.00 52.86 51.68 1pu0 s ASN 86 Cb 0.00 -0.75 -0.04 0.00 0.41 0.00 0.00 41.25 40.87 1pu0 s ASN 86 CO 0.00 0.10 -0.08 0.68 -1.51 0.00 0.00 177.10 176.29 1pu0 s VAL 87 N -1.73 3.15 -0.16 1.60 -7.23 -0.18 -4.91 120.40 110.94 1pu0 s VAL 87 Ca 0.25 -1.90 0.02 0.00 -1.81 0.00 0.00 61.98 58.54 1pu0 s VAL 87 Cb -0.09 -2.62 0.02 0.00 0.56 0.00 0.00 36.38 34.24 1pu0 s VAL 87 CO 0.16 -0.26 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.59 1pu0 s THR 88 N -2.09 1.99 0.00 5.32 2.01 -1.26 0.02 115.64 121.63 1pu0 s THR 88 Ca 0.28 -0.92 -0.14 0.00 0.31 0.00 0.00 61.69 61.22 1pu0 s THR 88 Cb -0.07 -1.78 -0.06 0.00 0.01 0.00 0.00 72.50 70.60 1pu0 s THR 88 CO 0.17 0.53 0.40 0.00 -0.69 0.00 0.00 174.62 175.03 1pu0 s ALA 89 N 1.07 3.70 0.88 7.40 0.00 0.07 -4.28 121.76 130.61 1pu0 s ALA 89 Ca -0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 51.96 51.69 1pu0 s ALA 89 Cb -0.14 -2.38 0.05 0.00 0.00 0.00 0.00 23.12 20.65 1pu0 s ALA 89 CO -0.07 0.49 0.31 -0.40 0.00 0.00 0.00 175.76 176.08 1pu0 n ASP 90 N 1.80 0.09 0.05 0.00 3.85 0.13 -0.70 116.55 121.78 1pu0 n ASP 90 Ca -0.14 -1.15 0.09 0.00 -0.71 0.00 0.00 54.79 52.87 1pu0 n ASP 90 Cb 0.52 -0.23 0.37 0.00 -1.35 0.00 0.00 41.12 40.43 1pu0 n ASP 90 CO 0.00 0.00 0.00 2.29 -1.01 0.00 0.00 177.20 178.48 1pu0 n LYS 91 N -1.64 0.07 -0.09 0.11 2.85 -1.26 -1.23 118.16 116.97 1pu0 n LYS 91 Ca 0.04 0.32 0.12 0.00 -1.05 0.00 0.00 58.31 57.73 1pu0 n LYS 91 Cb 0.14 -1.63 0.31 0.00 -0.65 0.00 0.00 35.03 33.20 1pu0 n LYS 91 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1pu0 n ASP 92 N -1.76 2.37 0.00 -5.58 10.43 -1.26 -4.89 116.55 115.86 1pu0 n ASP 92 Ca 0.03 -1.81 0.00 0.00 2.57 0.00 0.00 54.79 55.58 1pu0 n ASP 92 Cb 0.19 -0.12 0.00 0.00 1.84 0.00 0.00 41.12 43.02 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 1.28 0.62 3.68 0.44 0.00 -0.36 -4.75 105.19 106.09 1pu0 n GLY 93 Ca 0.17 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 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 5.10 -0.32 1.61 1.01 -1.26 -1.77 120.40 122.77 1pu0 s VAL 94 Ca 0.00 0.08 -0.08 0.00 0.00 0.00 0.00 61.98 61.98 1pu0 s VAL 94 Cb 0.00 -3.32 0.02 0.00 0.00 0.00 0.00 36.38 33.08 1pu0 s VAL 94 CO 0.00 0.44 0.12 0.00 0.00 0.00 0.00 175.10 175.66 1pu0 s ALA 95 N 0.43 3.13 -0.92 5.51 0.00 0.95 -0.69 121.76 130.17 1pu0 s ALA 95 Ca 0.06 -1.56 -0.16 0.00 0.00 0.00 0.00 51.96 50.29 1pu0 s ALA 95 Cb -0.12 -2.29 0.17 0.00 0.00 0.00 0.00 23.12 20.87 1pu0 s ALA 95 CO -0.00 -1.11 1.03 -0.51 0.00 0.00 0.00 175.76 175.17 1pu0 s ASP 96 N 1.50 6.73 0.19 0.00 -0.00 -1.26 -1.33 116.67 122.50 1pu0 s ASP 96 Ca 0.02 -2.38 -0.30 0.00 -0.00 0.00 0.00 52.55 49.88 1pu0 s ASP 96 Cb -0.18 -2.33 -0.09 0.00 -0.00 0.00 0.00 42.92 40.32 1pu0 s ASP 96 CO 0.04 -0.85 1.31 -0.69 -0.00 0.00 0.00 175.17 174.98 1pu0 s VAL 97 N 1.63 3.24 -0.27 -1.27 1.01 -0.22 -4.92 120.40 119.60 1pu0 s VAL 97 Ca 0.28 1.01 -0.01 0.00 0.00 0.00 0.00 61.98 63.26 1pu0 s VAL 97 Cb -0.07 -3.64 0.15 0.00 0.00 0.00 0.00 36.38 32.82 1pu0 s VAL 97 CO -0.09 0.14 0.41 -0.55 0.00 0.00 0.00 175.10 175.01 1pu0 s SER 98 N 0.42 0.17 0.06 3.32 0.15 -1.26 -2.75 113.70 113.81 1pu0 s SER 98 Ca 0.57 0.03 0.04 0.00 0.70 0.00 0.00 55.95 57.30 1pu0 s SER 98 Cb -0.36 1.19 -0.03 0.00 -1.71 0.00 0.00 66.02 65.11 1pu0 s SER 98 CO 0.37 -0.32 -0.13 -0.63 1.20 0.00 0.00 173.24 173.74 1pu0 s ILE 99 N 2.57 0.99 -0.09 6.45 1.01 0.18 -5.01 121.20 127.30 1pu0 s ILE 99 Ca 0.12 -1.19 0.02 0.00 0.00 0.00 0.00 60.65 59.59 1pu0 s ILE 99 Cb -0.14 -0.96 0.02 0.00 0.01 0.00 0.00 42.46 41.38 1pu0 s ILE 99 CO -0.22 -0.21 -0.13 -0.70 0.00 0.00 0.00 174.94 173.68 1pu0 s GLU 100 N -1.58 1.88 -0.02 2.79 2.12 -1.26 -0.65 118.70 121.97 1pu0 s GLU 100 Ca -0.03 -0.45 0.01 0.00 0.36 0.00 0.00 54.97 54.87 1pu0 s GLU 100 Cb -0.09 -1.62 0.01 0.00 0.26 0.00 0.00 34.13 32.69 1pu0 s GLU 100 CO 0.02 -0.05 -0.05 0.34 -0.54 0.00 0.00 175.26 174.98 1pu0 s ASP 101 N 0.94 0.75 0.00 -1.70 -1.08 -0.05 -4.94 116.67 110.59 1pu0 s ASP 101 Ca -0.09 -0.11 0.18 0.00 -0.52 0.00 0.00 52.55 52.02 1pu0 s ASP 101 Cb -0.15 -0.24 0.33 0.00 -1.46 0.00 0.00 42.92 41.40 1pu0 s ASP 101 CO 0.00 0.00 1.26 -1.54 0.52 0.00 0.00 175.17 175.41 1pu0 n SER 102 N 3.50 3.05 -0.10 -0.34 3.41 -1.26 -0.12 113.62 121.75 1pu0 n SER 102 Ca -0.20 -1.89 -0.14 0.00 -0.26 0.00 0.00 58.87 56.39 1pu0 n SER 102 Cb 0.54 -0.19 -0.11 0.00 -0.26 0.00 0.00 64.21 64.19 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 1.12 1.24 -1.31 -3.33 0.31 -1.26 -4.83 118.33 110.27 1pu0 n VAL 103 Ca 0.15 -0.54 -0.31 0.00 -0.01 0.00 0.00 64.34 63.64 1pu0 n VAL 103 Cb 0.51 -1.11 0.10 0.00 -0.91 0.00 0.00 33.84 32.43 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 -2.43 3.21 0.04 2.52 -4.36 -1.26 -4.98 121.20 113.94 1pu0 s ILE 104 Ca -0.25 0.39 -0.09 0.00 -0.26 0.00 0.00 60.65 60.45 1pu0 s ILE 104 Cb 0.07 -2.94 0.00 0.00 1.25 0.00 0.00 42.46 40.85 1pu0 s ILE 104 CO 0.55 -0.51 0.18 -0.55 0.24 0.00 0.00 174.94 174.85 1pu0 s SER 105 N -3.50 0.05 -0.09 4.36 0.15 -1.02 -4.63 113.70 109.01 1pu0 s SER 105 Ca 0.61 -0.39 0.14 0.00 0.70 0.00 0.00 55.95 57.02 1pu0 s SER 105 Cb -0.17 0.28 0.57 0.00 -1.71 0.00 0.00 66.02 64.99 1pu0 s SER 105 CO 0.56 -0.56 1.44 0.18 1.20 0.00 0.00 173.24 176.06 1pu0 n LEU 106 N 0.68 3.83 -3.73 3.45 4.77 -1.26 -1.41 117.00 123.33 1pu0 n LEU 106 Ca -0.19 -1.93 -0.06 0.00 -0.03 0.00 0.00 56.01 53.80 1pu0 n LEU 106 Cb 0.59 -0.51 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 1pu0 n LEU 106 CO 0.22 0.66 0.59 -0.94 -1.33 0.00 0.00 177.39 176.58 1pu0 s SER 107 N -0.80 -0.27 0.00 -1.43 1.04 -1.26 -4.70 113.70 106.27 1pu0 s SER 107 Ca 0.40 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.44 1pu0 s SER 107 Cb 0.26 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.96 1pu0 s SER 107 CO 0.19 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 173.98 1pu0 n GLY 108 N -0.43 -1.87 0.14 7.32 0.00 -1.26 -4.01 105.19 105.08 1pu0 n GLY 108 Ca -0.07 -1.45 0.02 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.22 1.61 3.32 -2.01 -3.10 116.42 116.01 1pu0 h ASP 109 Ca 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 1pu0 h ASP 109 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1pu0 h ASP 109 CO 0.00 0.51 0.06 1.41 -1.72 0.00 0.00 179.24 179.50 1pu0 n HIS 110 N -3.26 0.76 -3.04 4.55 8.25 -1.26 -4.91 115.22 116.31 1pu0 n HIS 110 Ca 0.02 -0.43 -0.40 0.00 -0.26 0.00 0.00 57.72 56.65 1pu0 n HIS 110 Cb 0.72 -0.30 -0.05 0.00 1.12 0.00 0.00 29.99 31.48 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 3.32 0.00 -1.92 0.00 -5.35 -0.50 -4.89 119.36 110.02 1pu0 n ILE 112 Ca -0.02 -0.43 -0.41 0.00 -0.27 0.00 0.00 62.75 61.62 1pu0 n ILE 112 Cb 0.51 1.25 -0.01 0.00 -1.74 0.00 0.00 39.64 39.64 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 -2.03 2.33 0.00 7.28 -1.09 -1.26 -1.72 121.20 124.71 1pu0 s ILE 113 Ca 0.30 0.32 0.00 0.00 -2.23 0.00 0.00 60.65 59.03 1pu0 s ILE 113 Cb 0.20 -3.20 0.00 0.00 -1.58 0.00 0.00 42.46 37.88 1pu0 s ILE 113 CO 0.32 0.07 0.00 0.61 -1.23 0.00 0.00 174.94 174.71 1pu0 n GLY 114 N 1.05 1.50 0.92 6.18 0.00 0.07 -4.99 105.19 109.93 1pu0 n GLY 114 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 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 1.18 -4.89 1.61 1.74 -0.70 -2.61 116.66 110.99 1pu0 n ARG 115 Ca 0.00 -0.80 -0.33 0.00 -0.77 0.00 0.00 57.85 55.95 1pu0 n ARG 115 Cb 0.00 0.04 -0.15 0.00 -1.02 0.00 0.00 32.46 31.34 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 -0.41 2.83 -0.06 0.55 2.01 -0.97 0.11 115.64 119.70 1pu0 s THR 116 Ca 0.10 -0.75 -0.20 0.00 0.31 0.00 0.00 61.69 61.15 1pu0 s THR 116 Cb -0.01 -2.16 -0.05 0.00 0.01 0.00 0.00 72.50 70.30 1pu0 s THR 116 CO 0.06 0.54 0.56 -0.22 -0.69 0.00 0.00 174.62 174.87 1pu0 s LEU 117 N 0.22 4.34 -0.04 4.42 2.96 -0.61 -0.19 118.68 129.77 1pu0 s LEU 117 Ca -0.10 1.02 0.04 0.00 -0.22 0.00 0.00 54.13 54.87 1pu0 s LEU 117 Cb -0.16 -2.85 0.00 0.00 0.50 0.00 0.00 46.19 43.69 1pu0 s LEU 117 CO 0.06 0.03 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.28 1pu0 s VAL 118 N 0.28 1.24 -0.08 1.68 1.01 -0.31 -1.86 120.40 122.36 1pu0 s VAL 118 Ca 0.30 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.70 1pu0 s VAL 118 Cb -0.17 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.11 1pu0 s VAL 118 CO 0.14 0.36 -0.12 0.54 0.00 0.00 0.00 175.10 176.03 1pu0 s VAL 119 N 0.16 3.24 0.35 2.92 0.11 -0.56 -2.08 120.40 124.54 1pu0 s VAL 119 Ca -0.05 -0.64 0.08 0.00 -2.93 0.00 0.00 61.98 58.44 1pu0 s VAL 119 Cb -0.11 -2.31 -0.03 0.00 -1.53 0.00 0.00 36.38 32.40 1pu0 s VAL 119 CO 0.02 0.57 0.26 -1.00 -3.33 0.00 0.00 175.10 171.62 1pu0 s HIS 120 N -0.45 2.81 0.14 1.54 3.76 -0.18 -1.48 115.29 121.42 1pu0 s HIS 120 Ca 0.06 -0.36 -0.18 0.00 -0.15 0.00 0.00 55.06 54.43 1pu0 s HIS 120 Cb -0.12 -1.81 -0.01 0.00 1.11 0.00 0.00 32.58 31.75 1pu0 s HIS 120 CO 0.02 0.19 1.77 1.49 -0.85 0.00 0.00 174.74 177.36 1pu0 h GLU 121 N 1.31 0.29 -5.65 1.40 4.81 -0.73 -3.38 114.58 112.63 1pu0 h GLU 121 Ca -0.44 -0.02 -0.63 0.00 -0.13 0.00 0.00 59.36 58.15 1pu0 h GLU 121 Cb 1.25 -0.07 -0.12 0.00 0.63 0.00 0.00 28.75 30.44 1pu0 h GLU 121 CO 0.60 0.19 -0.58 0.15 -0.73 0.00 0.00 179.01 178.65 1pu0 s LYS 122 N -6.17 2.01 0.50 1.92 1.02 -0.38 -4.93 119.74 113.71 1pu0 s LYS 122 Ca -0.13 -2.11 -0.22 0.00 0.02 0.00 0.00 55.97 53.53 1pu0 s LYS 122 Cb 0.10 -1.67 -0.06 0.00 -0.52 0.00 0.00 37.83 35.68 1pu0 s LYS 122 CO 0.70 -0.09 1.23 0.00 -0.92 0.00 0.00 175.35 176.27 1pu0 s ALA 123 N -2.71 2.88 -0.19 5.17 0.00 -1.18 -1.07 121.76 124.65 1pu0 s ALA 123 Ca 0.33 1.06 -0.25 0.00 0.00 0.00 0.00 51.96 53.10 1pu0 s ALA 123 Cb 0.09 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.75 1pu0 s ALA 123 CO 0.17 -0.93 0.82 0.34 0.00 0.00 0.00 175.76 176.17 1pu0 s ASP 124 N -1.27 6.91 0.00 0.00 3.68 -1.26 -3.88 116.67 120.86 1pu0 s ASP 124 Ca 0.68 1.13 0.20 0.00 2.13 0.00 0.00 52.55 56.68 1pu0 s ASP 124 Cb -0.32 -2.45 1.04 0.00 -1.45 0.00 0.00 42.92 39.74 1pu0 s ASP 124 CO 0.38 -0.43 1.69 -0.90 0.13 0.00 0.00 175.17 176.04 1pu0 n ASP 125 N 5.43 0.51 -1.40 -0.34 3.85 0.56 -4.88 116.55 120.28 1pu0 n ASP 125 Ca 0.05 -1.49 -0.14 0.00 -0.71 0.00 0.00 54.79 52.50 1pu0 n ASP 125 Cb 0.48 -0.03 -0.03 0.00 -1.35 0.00 0.00 41.12 40.20 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 -0.46 -1.40 0.00 -2.12 4.77 -1.26 -1.92 117.00 114.60 1pu0 n LEU 126 Ca 0.15 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1pu0 n LEU 126 Cb 0.15 -2.12 0.00 0.00 -2.33 0.00 0.00 43.42 39.11 1pu0 n LEU 126 CO 0.12 -0.37 0.00 0.61 -1.33 0.00 0.00 177.39 176.41 1pu0 n GLY 127 N -1.11 0.57 1.74 -0.72 0.00 -1.25 -3.11 105.19 101.31 1pu0 n GLY 127 Ca -0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.86 4.28 0.02 1.61 5.02 -0.81 -4.55 118.16 120.86 1pu0 n LYS 128 Ca 0.00 -3.03 0.12 0.00 -2.02 0.00 0.00 58.31 53.38 1pu0 n LYS 128 Cb 0.00 -2.07 0.29 0.00 -0.02 0.00 0.00 35.03 33.23 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 0.92 -1.34 2.57 0.72 0.00 -1.26 -4.98 105.19 101.82 1pu0 n GLY 129 Ca 0.27 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1pu0 n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pu0 n GLY 130 N 1.45 0.85 3.53 -0.02 0.00 -1.26 -4.96 105.19 104.78 1pu0 n GLY 130 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.73 3.18 0.22 1.61 2.20 -1.26 -5.04 114.94 113.12 1pu0 s ASN 131 Ca 0.00 -1.34 -0.09 0.00 -0.94 0.00 0.00 52.86 50.49 1pu0 s ASN 131 Cb 0.00 -0.25 0.34 0.00 -2.00 0.00 0.00 41.25 39.33 1pu0 s ASN 131 CO 0.00 -0.48 1.70 -0.08 -2.94 0.00 0.00 177.10 175.30 1pu0 h GLU 132 N 1.97 0.25 -0.72 3.55 4.81 -1.99 -1.83 114.58 120.62 1pu0 h GLU 132 Ca -0.42 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 58.82 1pu0 h GLU 132 Cb 1.24 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.52 1pu0 h GLU 132 CO 0.74 0.17 0.46 1.49 -0.73 0.00 0.00 179.01 181.14 1pu0 h GLU 133 N 0.26 0.89 -0.95 1.92 4.57 -1.99 -1.49 114.58 117.79 1pu0 h GLU 133 Ca 0.34 -0.05 0.09 0.00 -1.18 0.00 0.00 59.36 58.56 1pu0 h GLU 133 Cb 0.53 -0.20 -0.07 0.00 -0.16 0.00 0.00 28.75 28.85 1pu0 h GLU 133 CO -0.44 0.59 0.61 1.03 -1.18 0.00 0.00 179.01 179.62 1pu0 h SER 134 N 0.92 0.89 -0.50 1.04 0.87 -1.67 0.20 113.55 115.31 1pu0 h SER 134 Ca 0.28 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 1pu0 h SER 134 Cb -0.03 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.77 1pu0 h SER 134 CO -0.09 0.53 0.00 0.35 -0.53 0.00 0.00 176.83 177.08 1pu0 n THR 135 N -4.54 1.21 -0.05 2.23 -2.24 -0.61 -1.87 114.28 108.41 1pu0 n THR 135 Ca 0.16 -0.84 -0.11 0.00 -2.27 0.00 0.00 64.05 61.00 1pu0 n THR 135 Cb 0.29 0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 68.58 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 0.85 0.26 0.00 -0.78 5.02 -0.54 -1.40 118.16 121.58 1pu0 n LYS 136 Ca 0.19 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 1pu0 n LYS 136 Cb 0.64 -0.95 0.00 0.00 -0.02 0.00 0.00 35.03 34.70 1pu0 n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1pu0 n THR 137 N -3.69 0.00 -0.98 -0.18 -2.24 0.61 -4.67 114.28 103.13 1pu0 n THR 137 Ca -0.20 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1pu0 n THR 137 Cb 0.55 1.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.96 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 0.31 0.47 2.75 3.38 0.00 -0.78 -3.32 105.19 107.99 1pu0 n GLY 138 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.17 -5.99 -0.09 1.61 3.02 -1.25 -0.32 115.26 112.06 1pu0 n ASN 139 Ca 0.00 -0.17 0.15 0.00 -0.03 0.00 0.00 54.58 54.53 1pu0 n ASN 139 Cb 0.09 -4.91 0.76 0.00 -0.61 0.00 0.00 39.78 35.11 1pu0 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pu0 n ALA 140 N -2.88 2.66 -0.43 5.41 0.00 -1.21 -4.70 120.51 119.35 1pu0 n ALA 140 Ca -0.17 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1pu0 n ALA 140 Cb 0.65 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 1.16 0.18 3.82 0.00 0.00 -1.26 -1.25 105.19 107.83 1pu0 n GLY 141 Ca 0.19 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 1pu0 n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pu0 s SER 142 N -4.00 3.63 -0.45 1.61 1.04 -1.26 -4.64 113.70 109.62 1pu0 s SER 142 Ca 0.00 0.86 -0.18 0.00 0.48 0.00 0.00 55.95 57.10 1pu0 s SER 142 Cb 0.00 -1.36 0.04 0.00 0.10 0.00 0.00 66.02 64.80 1pu0 s SER 142 CO 0.00 -2.46 0.52 -0.13 0.98 0.00 0.00 173.24 172.14 1pu0 s ARG 143 N -5.40 3.12 0.04 4.02 0.52 -1.26 -0.38 118.95 119.60 1pu0 s ARG 143 Ca 0.64 -0.79 -0.01 0.00 -0.52 0.00 0.00 55.73 55.05 1pu0 s ARG 143 Cb -0.13 -4.02 -0.27 0.00 0.52 0.00 0.00 34.95 31.06 1pu0 s ARG 143 CO 0.52 -1.00 0.99 -0.07 0.02 0.00 0.00 175.30 175.76 1pu0 h LEU 144 N 9.31 0.34 -7.00 2.53 3.38 -1.57 -3.47 115.31 118.83 1pu0 h LEU 144 Ca -0.27 -0.42 0.03 0.00 0.09 0.00 0.00 57.88 57.31 1pu0 h LEU 144 Cb 1.10 -0.11 -0.17 0.00 0.09 0.00 0.00 40.66 41.57 1pu0 h LEU 144 CO 0.86 1.34 0.36 0.00 0.09 0.00 0.00 178.44 181.10 1pu0 s ALA 145 N -2.64 -1.79 0.17 1.53 0.00 -1.18 -4.09 121.76 113.77 1pu0 s ALA 145 Ca -0.06 1.12 -0.20 0.00 0.00 0.00 0.00 51.96 52.82 1pu0 s ALA 145 Cb 0.07 0.14 0.05 0.00 0.00 0.00 0.00 23.12 23.38 1pu0 s ALA 145 CO 0.86 -0.53 0.56 0.00 0.00 0.00 0.00 175.76 176.65 1pu0 s GLY 147 N -2.80 -0.44 0.24 0.00 0.00 -0.77 -1.71 107.32 101.83 1pu0 s GLY 147 Ca 0.04 1.36 -0.30 0.00 0.00 0.00 0.00 44.72 45.83 1pu0 s GLY 147 CO -0.09 0.69 1.03 0.14 0.00 0.00 0.00 173.10 174.88 1pu0 s VAL 148 N -2.09 3.80 -0.23 1.40 1.01 -1.26 -1.58 120.40 121.46 1pu0 s VAL 148 Ca -0.01 1.76 -0.26 0.00 0.00 0.00 0.00 61.98 63.47 1pu0 s VAL 148 Cb -0.01 -4.12 -0.00 0.00 0.00 0.00 0.00 36.38 32.25 1pu0 s VAL 148 CO -0.02 0.40 0.90 -0.63 0.00 0.00 0.00 175.10 175.76 1pu0 s ILE 149 N -1.00 4.79 0.27 2.22 1.01 0.12 -4.48 121.20 124.13 1pu0 s ILE 149 Ca 0.44 1.74 0.11 0.00 0.00 0.00 0.00 60.65 62.94 1pu0 s ILE 149 Cb -0.29 -4.19 -0.05 0.00 0.01 0.00 0.00 42.46 37.95 1pu0 s ILE 149 CO 0.36 -0.09 -0.14 -0.83 0.00 0.00 0.00 174.94 174.24 1pu0 s GLY 150 N 1.27 1.81 0.20 6.18 0.00 0.16 -0.75 107.32 116.19 1pu0 s GLY 150 Ca 0.39 -1.80 -0.30 0.00 0.00 0.00 0.00 44.72 43.00 1pu0 s GLY 150 CO 0.08 -1.88 1.23 -0.42 0.00 0.00 0.00 173.10 172.10 1pu0 s ILE 151 N -2.42 3.44 0.25 0.90 1.01 -1.26 -1.06 121.20 122.06 1pu0 s ILE 151 Ca 0.30 1.22 0.10 0.00 0.00 0.00 0.00 60.65 62.27 1pu0 s ILE 151 Cb -0.06 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1pu0 s ILE 151 CO 0.16 0.20 -0.06 0.00 0.00 0.00 0.00 174.94 175.24 1pu0 s ALA 152 N -0.09 3.03 -2.00 9.38 0.00 -0.37 -4.80 121.76 126.91 1pu0 s ALA 152 Ca 0.53 -1.65 0.10 0.00 0.00 0.00 0.00 51.96 50.94 1pu0 s ALA 152 Cb -0.34 -0.67 0.58 0.00 0.00 0.00 0.00 23.12 22.69 1pu0 s ALA 152 CO 0.38 0.32 1.03 0.94 0.00 0.00 0.00 175.76 178.42