#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pu0 s THR 2 N 0.00 3.79 0.02 0.00 2.01 -0.73 -4.86 115.64 115.87 1pu0 s THR 2 Ca 0.00 1.23 0.04 0.00 0.31 0.00 0.00 61.69 63.27 1pu0 s THR 2 Cb 0.00 -3.57 -0.02 0.00 0.01 0.00 0.00 72.50 68.92 1pu0 s THR 2 CO 0.00 -0.12 -0.11 -0.54 -0.69 0.00 0.00 174.62 173.15 1pu0 s LYS 3 N -2.87 0.80 0.17 4.92 1.02 -1.26 -1.37 119.74 121.15 1pu0 s LYS 3 Ca 0.62 -0.59 -0.02 0.00 0.02 0.00 0.00 55.97 56.00 1pu0 s LYS 3 Cb -0.19 -0.76 -0.04 0.00 -0.52 0.00 0.00 37.83 36.32 1pu0 s LYS 3 CO 0.23 0.19 0.13 0.00 -0.92 0.00 0.00 175.35 174.99 1pu0 s ALA 4 N -0.67 0.85 0.06 5.17 0.00 -0.46 -0.97 121.76 125.73 1pu0 s ALA 4 Ca 0.01 -1.48 -0.15 0.00 0.00 0.00 0.00 51.96 50.34 1pu0 s ALA 4 Cb -0.06 1.10 0.03 0.00 0.00 0.00 0.00 23.12 24.18 1pu0 s ALA 4 CO 0.00 -0.57 0.35 0.54 0.00 0.00 0.00 175.76 176.09 1pu0 s VAL 5 N -4.09 0.08 -0.08 0.00 0.11 0.14 -1.28 120.40 115.29 1pu0 s VAL 5 Ca 0.30 -0.63 -0.04 0.00 -2.93 0.00 0.00 61.98 58.68 1pu0 s VAL 5 Cb 0.06 -1.01 0.04 0.00 -1.53 0.00 0.00 36.38 33.94 1pu0 s VAL 5 CO 0.06 -0.35 0.18 0.00 -3.33 0.00 0.00 175.10 171.67 1pu0 s VAL 7 N 0.97 4.94 -0.04 0.00 1.01 -1.26 -1.18 120.40 124.84 1pu0 s VAL 7 Ca -0.07 -0.24 -0.19 0.00 0.00 0.00 0.00 61.98 61.47 1pu0 s VAL 7 Cb -0.09 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 1pu0 s VAL 7 CO -0.06 0.08 0.53 -0.76 0.00 0.00 0.00 175.10 174.90 1pu0 s LEU 8 N 1.68 4.38 0.08 3.92 1.43 0.35 -4.03 118.68 126.49 1pu0 s LEU 8 Ca 0.06 1.03 -0.11 0.00 -1.03 0.00 0.00 54.13 54.08 1pu0 s LEU 8 Cb -0.17 -2.80 0.01 0.00 0.03 0.00 0.00 46.19 43.26 1pu0 s LEU 8 CO 0.08 0.10 0.24 -0.54 0.23 0.00 0.00 176.35 176.46 1pu0 s LYS 9 N -0.07 0.84 0.00 1.70 -0.14 -0.72 -1.97 119.74 119.38 1pu0 s LYS 9 Ca 0.28 -0.80 0.00 0.00 -1.36 0.00 0.00 55.97 54.10 1pu0 s LYS 9 Cb -0.17 0.35 0.00 0.00 -1.68 0.00 0.00 37.83 36.33 1pu0 s LYS 9 CO 0.14 -0.27 0.00 0.41 -0.76 0.00 0.00 175.35 174.87 1pu0 n GLY 10 N 0.16 2.52 0.22 -3.33 0.00 -1.25 -1.19 105.19 102.32 1pu0 n GLY 10 Ca -0.16 -0.86 0.13 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.50 1.61 3.45 -1.91 -3.46 116.42 115.61 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 0.00 0.00 0.61 -1.57 0.00 0.00 179.24 178.28 1pu0 n GLY 12 N 0.95 2.39 0.22 2.75 0.00 -1.26 -5.01 105.19 105.22 1pu0 n GLY 12 Ca 0.04 -1.93 0.14 0.00 0.00 0.00 0.00 46.02 44.27 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 1.10 -2.35 1.61 -0.04 -1.26 -4.91 135.00 129.14 1pu0 n PRO 13 Ca 0.00 -0.43 -0.42 0.00 -0.04 0.00 0.00 63.50 62.61 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 -2.20 3.77 -0.04 0.52 1.01 -1.26 -4.40 120.40 117.80 1pu0 s VAL 14 Ca 0.36 1.31 -0.11 0.00 0.00 0.00 0.00 61.98 63.55 1pu0 s VAL 14 Cb 0.21 -3.84 0.02 0.00 0.00 0.00 0.00 36.38 32.77 1pu0 s VAL 14 CO 0.40 0.12 0.25 -1.10 0.00 0.00 0.00 175.10 174.78 1pu0 s GLN 15 N 0.81 0.49 0.11 2.72 -0.21 -0.89 -3.79 119.66 118.90 1pu0 s GLN 15 Ca 0.59 -0.05 -0.26 0.00 0.02 0.00 0.00 55.36 55.66 1pu0 s GLN 15 Cb -0.32 0.22 0.08 0.00 1.00 0.00 0.00 33.01 33.99 1pu0 s GLN 15 CO 0.31 -0.11 1.03 0.20 -2.12 0.00 0.00 175.29 174.60 1pu0 s GLY 16 N -0.83 -0.27 -0.09 3.09 0.00 -0.83 -0.58 107.32 107.80 1pu0 s GLY 16 Ca -0.09 0.27 0.01 0.00 0.00 0.00 0.00 44.72 44.90 1pu0 s GLY 16 CO 0.02 0.04 -0.10 -0.42 0.00 0.00 0.00 173.10 172.64 1pu0 s ILE 17 N -3.09 1.09 -0.11 0.90 1.01 -0.85 -0.49 121.20 119.66 1pu0 s ILE 17 Ca 0.13 -0.39 0.03 0.00 0.00 0.00 0.00 60.65 60.42 1pu0 s ILE 17 Cb -0.00 -1.06 0.01 0.00 0.01 0.00 0.00 42.46 41.42 1pu0 s ILE 17 CO 0.01 0.36 -0.22 -0.63 0.00 0.00 0.00 174.94 174.46 1pu0 s ILE 18 N 1.22 1.99 0.06 2.92 -1.09 -0.33 -1.93 121.20 124.04 1pu0 s ILE 18 Ca -0.04 -0.96 -0.09 0.00 -2.23 0.00 0.00 60.65 57.34 1pu0 s ILE 18 Cb -0.14 -1.74 -0.05 0.00 -1.58 0.00 0.00 42.46 38.95 1pu0 s ILE 18 CO -0.03 0.54 0.36 0.20 -1.23 0.00 0.00 174.94 174.78 1pu0 s ASN 19 N 0.57 6.59 -0.02 3.58 0.01 0.59 -0.30 114.94 125.96 1pu0 s ASN 19 Ca -0.14 0.72 0.04 0.00 -0.71 0.00 0.00 52.86 52.78 1pu0 s ASN 19 Cb -0.17 -2.15 -0.01 0.00 0.41 0.00 0.00 41.25 39.33 1pu0 s ASN 19 CO 0.04 0.19 -0.15 -0.36 -1.51 0.00 0.00 177.10 175.31 1pu0 s PHE 20 N -1.38 1.36 -0.09 2.20 0.08 -0.40 -1.35 117.98 118.40 1pu0 s PHE 20 Ca 0.32 -0.28 -0.06 0.00 0.12 0.00 0.00 56.93 57.03 1pu0 s PHE 20 Cb -0.14 -0.89 0.03 0.00 -0.57 0.00 0.00 43.02 41.46 1pu0 s PHE 20 CO 0.18 -0.04 0.22 -2.00 -0.10 0.00 0.00 175.22 173.48 1pu0 s GLU 21 N -0.28 0.23 -0.31 0.44 2.12 -0.29 -1.36 118.70 119.24 1pu0 s GLU 21 Ca 0.04 0.39 0.00 0.00 0.36 0.00 0.00 54.97 55.77 1pu0 s GLU 21 Cb -0.07 0.01 0.10 0.00 0.26 0.00 0.00 34.13 34.43 1pu0 s GLU 21 CO -0.00 -0.09 0.07 -1.14 -0.54 0.00 0.00 175.26 173.56 1pu0 s GLN 22 N 0.61 0.95 0.40 4.30 0.74 -0.47 -0.31 119.66 125.88 1pu0 s GLN 22 Ca -0.04 -1.24 0.08 0.00 0.05 0.00 0.00 55.36 54.21 1pu0 s GLN 22 Cb -0.05 -2.32 0.81 0.00 1.10 0.00 0.00 33.01 32.55 1pu0 s GLN 22 CO -0.03 -0.94 1.98 0.87 -0.55 0.00 0.00 175.29 176.61 1pu0 h LYS 23 N 7.97 0.39 -4.14 1.67 1.57 -1.82 -1.94 116.57 120.27 1pu0 h LYS 23 Ca -0.12 -0.06 -0.31 0.00 -1.87 0.00 0.00 60.65 58.30 1pu0 h LYS 23 Cb 1.02 -0.07 -0.29 0.00 0.08 0.00 0.00 32.23 32.97 1pu0 h LYS 23 CO 0.48 0.38 -0.75 -1.21 -0.57 0.00 0.00 179.45 177.77 1pu0 s GLU 24 N -5.09 0.34 0.58 3.15 0.41 -1.26 -4.35 118.70 112.47 1pu0 s GLU 24 Ca -0.07 -0.13 0.27 0.00 -0.41 0.00 0.00 54.97 54.63 1pu0 s GLU 24 Cb 0.16 -0.34 1.71 0.00 -1.78 0.00 0.00 34.13 33.89 1pu0 s GLU 24 CO 0.73 0.07 2.24 0.66 -0.49 0.00 0.00 175.26 178.47 1pu0 h SER 25 N 6.15 0.00 -0.63 -0.19 4.64 -1.98 0.98 113.55 122.53 1pu0 h SER 25 Ca -0.28 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.89 1pu0 h SER 25 Cb 1.19 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.19 1pu0 h SER 25 CO 0.50 0.00 0.19 -0.46 -0.87 0.00 0.00 176.83 176.19 1pu0 n ASN 26 N -3.99 4.67 -4.38 4.97 6.94 -1.26 -4.95 115.26 117.26 1pu0 n ASN 26 Ca -0.03 -3.01 -0.27 0.00 -0.02 0.00 0.00 54.58 51.24 1pu0 n ASN 26 Cb 0.08 -0.71 -0.08 0.00 -2.36 0.00 0.00 39.78 36.71 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 -0.79 2.65 0.61 4.83 0.00 0.34 -5.13 107.32 109.83 1pu0 s GLY 27 Ca 0.49 -1.17 -0.16 0.00 0.00 0.00 0.00 44.72 43.88 1pu0 s GLY 27 CO 0.12 -1.95 1.08 2.56 0.00 0.00 0.00 173.10 174.91 1pu0 s PRO 28 N -3.78 3.15 -0.22 2.90 0.04 -1.26 -4.88 135.00 130.95 1pu0 s PRO 28 Ca 0.21 1.32 -0.08 0.00 0.04 0.00 0.00 61.00 62.49 1pu0 s PRO 28 Cb 0.04 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1pu0 s PRO 28 CO 0.11 -0.96 0.09 0.08 0.04 0.00 0.00 177.00 176.36 1pu0 s VAL 29 N -2.33 4.81 -0.07 -0.36 1.01 0.23 -4.40 120.40 119.30 1pu0 s VAL 29 Ca 0.66 -0.01 -0.23 0.00 0.00 0.00 0.00 61.98 62.40 1pu0 s VAL 29 Cb -0.18 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 1pu0 s VAL 29 CO 0.37 0.39 0.66 -0.54 0.00 0.00 0.00 175.10 175.99 1pu0 s LYS 30 N 0.90 4.42 -0.16 2.72 1.02 0.58 -1.02 119.74 128.20 1pu0 s LYS 30 Ca 0.05 0.81 0.00 0.00 0.02 0.00 0.00 55.97 56.85 1pu0 s LYS 30 Cb -0.14 -3.44 0.03 0.00 -0.52 0.00 0.00 37.83 33.76 1pu0 s LYS 30 CO 0.03 0.10 -0.12 0.08 -0.92 0.00 0.00 175.35 174.51 1pu0 s VAL 31 N 0.70 1.52 0.08 3.17 1.01 0.35 -1.14 120.40 126.09 1pu0 s VAL 31 Ca 0.35 -0.69 -0.17 0.00 0.00 0.00 0.00 61.98 61.47 1pu0 s VAL 31 Cb -0.17 -1.48 0.04 0.00 0.00 0.00 0.00 36.38 34.76 1pu0 s VAL 31 CO 0.17 0.37 0.41 -1.66 0.00 0.00 0.00 175.10 174.40 1pu0 s TRP 32 N 1.49 -0.25 -5.00 5.22 -2.14 -0.46 -1.08 118.94 116.73 1pu0 s TRP 32 Ca 0.03 0.09 0.00 0.00 2.66 0.00 0.00 56.10 58.88 1pu0 s TRP 32 Cb -0.14 0.24 0.00 0.00 -3.10 0.00 0.00 33.47 30.48 1pu0 s TRP 32 CO -0.10 -0.63 0.00 0.41 -2.66 0.00 0.00 176.95 173.97 1pu0 n GLY 33 N 0.17 -0.24 2.99 3.67 0.00 -0.77 -0.30 105.19 110.71 1pu0 n GLY 33 Ca -0.17 -1.22 -0.20 0.00 0.00 0.00 0.00 46.02 44.43 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 1.11 -0.10 1.61 0.15 -0.81 -0.01 113.70 111.64 1pu0 s SER 34 Ca 0.00 -0.17 0.03 0.00 0.70 0.00 0.00 55.95 56.51 1pu0 s SER 34 Cb 0.00 -0.29 0.01 0.00 -1.71 0.00 0.00 66.02 64.03 1pu0 s SER 34 CO 0.00 0.06 -0.19 -0.63 1.20 0.00 0.00 173.24 173.68 1pu0 s ILE 35 N 0.19 1.71 0.41 6.45 1.01 0.15 -2.00 121.20 129.12 1pu0 s ILE 35 Ca -0.03 -0.80 0.07 0.00 0.00 0.00 0.00 60.65 59.90 1pu0 s ILE 35 Cb -0.08 -1.52 -0.06 0.00 0.01 0.00 0.00 42.46 40.81 1pu0 s ILE 35 CO 0.00 0.48 0.12 -1.59 0.00 0.00 0.00 174.94 173.95 1pu0 s LYS 36 N 0.67 2.13 0.00 2.79 -2.85 0.25 0.14 119.74 122.86 1pu0 s LYS 36 Ca -0.13 -1.95 0.00 0.00 -1.00 0.00 0.00 55.97 52.90 1pu0 s LYS 36 Cb -0.16 -1.85 0.00 0.00 -2.06 0.00 0.00 37.83 33.76 1pu0 s LYS 36 CO 0.03 -0.09 0.00 0.41 0.10 0.00 0.00 175.35 175.80 1pu0 n GLY 37 N -1.14 0.61 3.82 0.59 0.00 -0.91 -2.09 105.19 106.08 1pu0 n GLY 37 Ca -0.03 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 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 4.03 0.50 0.99 1.43 -0.74 -4.26 118.68 120.63 1pu0 s LEU 38 Ca 0.00 0.16 -0.21 0.00 -1.03 0.00 0.00 54.13 53.05 1pu0 s LEU 38 Cb 0.00 -2.50 -0.06 0.00 0.03 0.00 0.00 46.19 43.66 1pu0 s LEU 38 CO 0.00 0.23 1.17 0.42 0.23 0.00 0.00 176.35 178.40 1pu0 s THR 39 N -1.32 3.01 0.44 5.49 -4.23 -1.26 -4.25 115.64 113.53 1pu0 s THR 39 Ca 0.27 0.71 -0.26 0.00 -1.18 0.00 0.00 61.69 61.23 1pu0 s THR 39 Cb -0.12 -3.33 -0.09 0.00 1.34 0.00 0.00 72.50 70.30 1pu0 s THR 39 CO 0.19 -0.06 1.44 1.21 -0.54 0.00 0.00 174.62 176.86 1pu0 n GLU 40 N -0.87 2.31 0.00 3.99 2.13 -1.26 -4.60 120.64 122.34 1pu0 n GLU 40 Ca 0.09 0.82 0.00 0.00 0.66 0.00 0.00 57.16 58.73 1pu0 n GLU 40 Cb 0.49 -2.64 0.00 0.00 0.27 0.00 0.00 31.44 29.56 1pu0 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pu0 n GLY 41 N 0.56 -0.03 3.80 8.31 0.00 -0.28 -4.91 105.19 112.63 1pu0 n GLY 41 Ca 0.05 -2.25 -0.38 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 4.46 -0.03 0.99 1.43 -1.26 -1.13 118.68 123.13 1pu0 s LEU 42 Ca 0.00 1.51 0.00 0.00 -1.03 0.00 0.00 54.13 54.61 1pu0 s LEU 42 Cb 0.00 -3.42 0.03 0.00 0.03 0.00 0.00 46.19 42.82 1pu0 s LEU 42 CO 0.00 0.12 0.01 -1.00 0.23 0.00 0.00 176.35 175.71 1pu0 s HIS 43 N -1.34 0.28 0.61 0.29 3.76 0.12 -3.13 115.29 115.88 1pu0 s HIS 43 Ca 0.39 0.03 -0.19 0.00 -0.15 0.00 0.00 55.06 55.14 1pu0 s HIS 43 Cb -0.19 -0.42 -0.04 0.00 1.11 0.00 0.00 32.58 33.03 1pu0 s HIS 43 CO 0.23 -0.14 1.08 0.41 -0.85 0.00 0.00 174.74 175.46 1pu0 n GLY 44 N 4.32 -0.02 2.84 -2.22 0.00 -0.32 -1.10 105.19 108.69 1pu0 n GLY 44 Ca -0.23 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.46 -0.61 0.05 1.61 5.36 -0.13 -1.17 117.98 121.62 1pu0 s PHE 45 Ca 0.77 0.42 -0.01 0.00 -0.96 0.00 0.00 56.93 57.15 1pu0 s PHE 45 Cb -0.41 -0.20 -0.04 0.00 -0.34 0.00 0.00 43.02 42.04 1pu0 s PHE 45 CO 0.45 -0.74 -0.02 -1.01 -1.46 0.00 0.00 175.22 172.44 1pu0 s HIS 46 N 2.45 0.47 -0.15 10.12 3.76 -0.77 -2.78 115.29 128.39 1pu0 s HIS 46 Ca 0.10 -0.98 -0.22 0.00 -0.15 0.00 0.00 55.06 53.82 1pu0 s HIS 46 Cb -0.15 -0.35 -0.03 0.00 1.11 0.00 0.00 32.58 33.16 1pu0 s HIS 46 CO -0.19 -0.37 0.65 0.08 -0.85 0.00 0.00 174.74 174.06 1pu0 s VAL 47 N -3.63 5.03 0.29 -0.90 1.01 -0.24 -1.16 120.40 120.80 1pu0 s VAL 47 Ca 0.04 1.27 0.06 0.00 0.00 0.00 0.00 61.98 63.35 1pu0 s VAL 47 Cb 0.06 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 1pu0 s VAL 47 CO -0.09 0.17 0.40 -1.00 0.00 0.00 0.00 175.10 174.58 1pu0 s HIS 48 N 1.47 3.26 0.16 5.22 3.76 0.18 -0.61 115.29 128.74 1pu0 s HIS 48 Ca 0.32 -0.13 -0.10 0.00 -0.15 0.00 0.00 55.06 55.00 1pu0 s HIS 48 Cb -0.16 -1.77 0.02 0.00 1.11 0.00 0.00 32.58 31.78 1pu0 s HIS 48 CO 0.13 0.23 1.58 1.49 -0.85 0.00 0.00 174.74 177.31 1pu0 h GLU 49 N 1.06 1.00 -5.89 1.40 4.81 -0.58 -2.82 114.58 113.54 1pu0 h GLU 49 Ca -0.49 -0.38 -0.67 0.00 -0.13 0.00 0.00 59.36 57.69 1pu0 h GLU 49 Cb 1.24 -0.06 -0.21 0.00 0.63 0.00 0.00 28.75 30.35 1pu0 h GLU 49 CO 0.57 1.05 -0.71 -0.06 -0.73 0.00 0.00 179.01 179.13 1pu0 s PHE 50 N -4.83 2.90 -0.91 0.92 0.08 -0.20 -4.71 117.98 111.23 1pu0 s PHE 50 Ca -0.12 -0.16 -0.05 0.00 0.12 0.00 0.00 56.93 56.72 1pu0 s PHE 50 Cb 0.12 -1.76 0.04 0.00 -0.57 0.00 0.00 43.02 40.85 1pu0 s PHE 50 CO 0.86 0.16 2.70 0.41 -0.10 0.00 0.00 175.22 179.25 1pu0 n GLY 51 N 2.67 4.61 3.11 4.36 0.00 -1.05 -3.82 105.19 115.07 1pu0 n GLY 51 Ca -0.18 -1.86 -0.33 0.00 0.00 0.00 0.00 46.02 43.64 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 0.68 4.73 -0.27 1.61 3.68 -1.26 -4.96 116.67 120.87 1pu0 s ASP 52 Ca 0.59 -1.48 0.12 0.00 2.13 0.00 0.00 52.55 53.90 1pu0 s ASP 52 Cb 0.27 -1.65 0.62 0.00 -1.45 0.00 0.00 42.92 40.72 1pu0 s ASP 52 CO -0.13 -0.27 1.61 -3.20 0.13 0.00 0.00 175.17 173.31 1pu0 n ASN 53 N 4.50 4.00 0.25 -0.34 4.05 -1.26 -3.18 115.26 123.28 1pu0 n ASN 53 Ca -0.11 -3.28 0.11 0.00 0.45 0.00 0.00 54.58 51.75 1pu0 n ASN 53 Cb 0.42 -0.66 0.66 0.00 1.23 0.00 0.00 39.78 41.44 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 2.00 0.69 -1.19 -0.44 1.35 -1.93 -2.73 112.91 110.66 1pu0 h THR 54 Ca 0.17 -0.63 -0.50 0.00 -0.55 0.00 0.00 66.41 64.90 1pu0 h THR 54 Cb 1.90 1.39 -0.41 0.00 -1.73 0.00 0.00 68.15 69.29 1pu0 h THR 54 CO 0.49 0.15 -0.89 0.00 -0.25 0.00 0.00 175.52 175.02 1pu0 n ALA 55 N -2.32 4.45 -0.54 6.62 0.00 -1.26 -5.06 120.51 122.41 1pu0 n ALA 55 Ca -0.02 -3.83 0.00 0.00 0.00 0.00 0.00 53.44 49.60 1pu0 n ALA 55 Cb 0.26 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 -0.41 -0.02 0.26 0.00 0.00 -1.03 -3.24 105.19 100.75 1pu0 n GLY 56 Ca 0.30 -0.99 0.17 0.00 0.00 0.00 0.00 46.02 45.50 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 1.07 -0.01 0.00 2.02 -1.90 -2.24 112.91 111.86 1pu0 h THR 58 Ca 0.00 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1pu0 h THR 58 Cb 0.35 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1pu0 h THR 58 CO 0.00 0.11 0.00 -1.54 0.37 0.00 0.00 175.52 174.46 1pu0 n SER 59 N -4.47 0.09 0.00 4.18 3.41 -1.10 -3.02 113.62 112.71 1pu0 n SER 59 Ca 0.06 -1.31 0.10 0.00 -0.26 0.00 0.00 58.87 57.46 1pu0 n SER 59 Cb 0.13 -0.00 0.47 0.00 -0.26 0.00 0.00 64.21 64.55 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 -0.79 2.00 -0.43 7.33 0.00 -0.84 -4.46 120.51 123.32 1pu0 n ALA 60 Ca 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1pu0 n ALA 60 Cb 0.09 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.22 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 0.42 -0.78 3.25 0.00 0.00 -1.17 -1.03 105.19 105.89 1pu0 n GLY 61 Ca 0.08 -1.14 -0.24 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.25 -0.94 -1.74 1.61 -0.04 -1.26 -4.61 135.00 127.77 1pu0 n PRO 62 Ca 0.00 -1.82 -0.41 0.00 -0.04 0.00 0.00 63.50 61.24 1pu0 n PRO 62 Cb 0.00 -1.07 0.01 0.00 -0.04 0.00 0.00 33.50 32.40 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 -3.42 2.54 -1.85 0.54 8.25 -1.26 -0.38 115.22 119.65 1pu0 n HIS 63 Ca 0.14 0.47 -0.42 0.00 -0.26 0.00 0.00 57.72 57.65 1pu0 n HIS 63 Cb 0.49 -2.44 -0.03 0.00 1.12 0.00 0.00 29.99 29.13 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 1.64 -0.41 4.41 5.99 0.22 -4.45 117.98 124.22 1pu0 s PHE 64 Ca 0.59 -0.12 0.09 0.00 0.00 0.00 0.00 56.93 57.48 1pu0 s PHE 64 Cb -0.49 -4.07 0.30 0.00 0.00 0.00 0.00 43.02 38.76 1pu0 s PHE 64 CO 0.60 -4.68 0.77 -1.71 -0.00 0.00 0.00 175.22 170.20 1pu0 n ASN 65 N 7.32 -0.55 0.11 6.13 5.15 -1.26 -1.24 115.26 130.92 1pu0 n ASN 65 Ca 0.18 -3.10 0.10 0.00 -0.60 0.00 0.00 54.58 51.17 1pu0 n ASN 65 Cb 0.42 0.25 0.46 0.00 -0.53 0.00 0.00 39.78 40.37 1pu0 n ASN 65 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1pu0 n PRO 66 N 0.83 0.14 -0.41 1.20 -0.04 -1.26 -1.93 135.00 133.53 1pu0 n PRO 66 Ca 0.18 0.45 0.11 0.00 -0.04 0.00 0.00 63.50 64.19 1pu0 n PRO 66 Cb 0.63 -1.81 0.32 0.00 -0.04 0.00 0.00 33.50 32.59 1pu0 n PRO 66 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1pu0 n LEU 67 N -2.09 4.06 -3.98 1.53 4.77 -1.26 -4.97 117.00 115.06 1pu0 n LEU 67 Ca 0.01 -2.12 -0.29 0.00 -0.03 0.00 0.00 56.01 53.58 1pu0 n LEU 67 Cb 0.17 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1pu0 n LEU 67 CO 0.15 0.92 -0.03 -1.20 -1.33 0.00 0.00 177.39 175.90 1pu0 n SER 68 N 1.39 -2.85 -4.90 -1.43 7.64 -0.81 -4.97 113.62 107.69 1pu0 n SER 68 Ca 0.24 -0.90 -0.21 0.00 1.01 0.00 0.00 58.87 59.01 1pu0 n SER 68 Cb 0.67 -3.42 0.07 0.00 -1.01 0.00 0.00 64.21 60.53 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 -6.60 2.13 0.51 1.43 0.52 -1.26 -5.11 118.95 110.58 1pu0 s ARG 69 Ca 0.44 -1.38 -0.07 0.00 -0.52 0.00 0.00 55.73 54.21 1pu0 s ARG 69 Cb -0.23 -2.54 -0.04 0.00 0.52 0.00 0.00 34.95 32.67 1pu0 s ARG 69 CO 0.87 -1.02 0.84 0.15 0.02 0.00 0.00 175.30 176.16 1pu0 s LYS 70 N -4.82 3.56 0.37 3.54 1.02 -1.26 -4.76 119.74 117.40 1pu0 s LYS 70 Ca 0.63 0.34 -0.27 0.00 0.02 0.00 0.00 55.97 56.68 1pu0 s LYS 70 Cb -0.06 -2.31 -0.10 0.00 -0.52 0.00 0.00 37.83 34.84 1pu0 s LYS 70 CO 0.40 -0.28 1.36 -1.58 -0.92 0.00 0.00 175.35 174.33 1pu0 s HIS 71 N -2.83 2.82 0.19 3.18 5.65 -0.19 -3.20 115.29 120.91 1pu0 s HIS 71 Ca 0.49 1.34 0.01 0.00 0.25 0.00 0.00 55.06 57.16 1pu0 s HIS 71 Cb -0.10 -3.78 -0.00 0.00 -1.18 0.00 0.00 32.58 27.51 1pu0 s HIS 71 CO 0.47 -2.29 0.22 0.41 -0.65 0.00 0.00 174.74 172.89 1pu0 n GLY 72 N 0.66 2.96 3.93 1.59 0.00 -1.24 -4.32 105.19 108.76 1pu0 n GLY 72 Ca 0.02 -1.64 -0.25 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.23 1.55 0.61 -0.02 0.00 -1.20 -4.66 107.32 101.37 1pu0 s GLY 73 Ca 0.19 -0.80 0.36 0.00 0.00 0.00 0.00 44.72 44.46 1pu0 s GLY 73 CO 0.13 -0.60 2.26 -0.56 0.00 0.00 0.00 173.10 174.33 1pu0 h PRO 74 N 0.19 0.00 -0.01 2.90 0.13 -1.86 -2.03 132.00 131.32 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 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1pu0 h PRO 74 CO 0.60 0.02 -0.14 1.63 -0.23 0.00 0.00 178.00 179.87 1pu0 n LYS 75 N -3.43 0.97 -2.92 0.86 5.02 -1.26 -4.88 118.16 112.52 1pu0 n LYS 75 Ca -0.03 -0.49 -0.38 0.00 -2.02 0.00 0.00 58.31 55.40 1pu0 n LYS 75 Cb 0.12 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.58 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 -2.36 7.36 0.23 4.39 -0.00 -0.76 -4.97 116.67 120.55 1pu0 s ASP 76 Ca 0.30 1.70 -0.03 0.00 -0.00 0.00 0.00 52.55 54.52 1pu0 s ASP 76 Cb 0.20 -2.52 0.23 0.00 -0.00 0.00 0.00 42.92 40.83 1pu0 s ASP 76 CO 0.46 0.10 1.64 -0.08 -0.00 0.00 0.00 175.17 177.29 1pu0 h GLU 77 N 3.85 0.68 -5.48 8.23 4.57 -1.89 -3.37 114.58 121.17 1pu0 h GLU 77 Ca -0.47 -0.28 -0.63 0.00 -1.18 0.00 0.00 59.36 56.79 1pu0 h GLU 77 Cb 1.20 -0.03 -0.14 0.00 -0.16 0.00 0.00 28.75 29.62 1pu0 h GLU 77 CO 0.66 0.87 0.45 -2.00 -1.18 0.00 0.00 179.01 177.82 1pu0 s GLU 78 N -4.51 3.19 0.04 1.92 2.56 -1.26 -4.94 118.70 115.70 1pu0 s GLU 78 Ca -0.08 -0.66 -0.27 0.00 0.00 0.00 0.00 54.97 53.95 1pu0 s GLU 78 Cb 0.13 -4.15 0.08 0.00 2.00 0.00 0.00 34.13 32.19 1pu0 s GLU 78 CO 0.83 -1.59 0.70 -0.98 -0.56 0.00 0.00 175.26 173.66 1pu0 s ARG 79 N 3.73 1.08 0.51 4.30 1.70 -1.19 -3.73 118.95 125.35 1pu0 s ARG 79 Ca 0.23 -0.15 -0.20 0.00 -0.47 0.00 0.00 55.73 55.14 1pu0 s ARG 79 Cb -0.16 0.50 -0.07 0.00 -0.57 0.00 0.00 34.95 34.65 1pu0 s ARG 79 CO 0.13 -0.42 1.09 -1.01 -1.08 0.00 0.00 175.30 174.01 1pu0 s HIS 80 N -2.60 2.85 0.32 5.89 3.76 -1.22 -4.73 115.29 119.56 1pu0 s HIS 80 Ca -0.03 1.56 0.04 0.00 -0.15 0.00 0.00 55.06 56.49 1pu0 s HIS 80 Cb -0.01 -3.19 0.66 0.00 1.11 0.00 0.00 32.58 31.16 1pu0 s HIS 80 CO -0.04 -1.20 1.87 0.28 -0.85 0.00 0.00 174.74 174.80 1pu0 h VAL 81 N 1.42 0.92 0.00 -0.90 2.07 -1.85 -2.04 116.25 115.88 1pu0 h VAL 81 Ca -0.50 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1pu0 h VAL 81 Cb 1.24 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1pu0 h VAL 81 CO 0.58 0.16 0.00 0.61 0.02 0.00 0.00 177.57 178.94 1pu0 n GLY 82 N -1.40 -0.78 3.52 2.17 0.00 -0.37 -4.41 105.19 103.94 1pu0 n GLY 82 Ca 0.17 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.47 6.27 0.00 1.61 1.01 -0.77 -1.08 116.67 122.23 1pu0 s ASP 83 Ca 0.12 -0.89 0.22 0.00 0.71 0.00 0.00 52.55 52.71 1pu0 s ASP 83 Cb 0.05 -2.52 0.56 0.00 1.01 0.00 0.00 42.92 42.02 1pu0 s ASP 83 CO 0.09 -1.63 1.47 0.18 0.21 0.00 0.00 175.17 175.49 1pu0 n LEU 84 N 8.72 3.74 0.00 1.23 4.77 -1.12 -3.65 117.00 130.69 1pu0 n LEU 84 Ca 0.09 -1.86 0.00 0.00 -0.03 0.00 0.00 56.01 54.21 1pu0 n LEU 84 Cb 0.49 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1pu0 n LEU 84 CO 0.67 0.90 0.00 0.61 -1.33 0.00 0.00 177.39 178.24 1pu0 n GLY 85 N 1.52 0.47 3.52 -0.72 0.00 -1.20 -4.77 105.19 104.00 1pu0 n GLY 85 Ca 0.22 -1.00 -0.27 0.00 0.00 0.00 0.00 46.02 44.97 1pu0 n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pu0 s ASN 86 N -4.00 3.96 0.21 1.61 0.01 -1.26 -0.96 114.94 114.51 1pu0 s ASN 86 Ca 0.00 -0.69 0.09 0.00 -0.71 0.00 0.00 52.86 51.55 1pu0 s ASN 86 Cb 0.00 -0.55 -0.04 0.00 0.41 0.00 0.00 41.25 41.06 1pu0 s ASN 86 CO 0.00 0.11 -0.07 0.68 -1.51 0.00 0.00 177.10 176.30 1pu0 s VAL 87 N -1.71 3.25 -0.19 1.60 -7.23 -0.26 -4.91 120.40 110.94 1pu0 s VAL 87 Ca 0.24 -1.74 -0.02 0.00 -1.81 0.00 0.00 61.98 58.65 1pu0 s VAL 87 Cb -0.08 -2.65 -0.00 0.00 0.56 0.00 0.00 36.38 34.21 1pu0 s VAL 87 CO 0.13 -0.19 -0.11 -0.89 -0.31 0.00 0.00 175.10 173.74 1pu0 s THR 88 N -1.89 2.90 0.00 5.32 2.01 -1.26 -0.70 115.64 122.02 1pu0 s THR 88 Ca 0.27 -0.67 -0.21 0.00 0.31 0.00 0.00 61.69 61.39 1pu0 s THR 88 Cb -0.08 -2.27 -0.05 0.00 0.01 0.00 0.00 72.50 70.10 1pu0 s THR 88 CO 0.16 0.48 0.60 0.00 -0.69 0.00 0.00 174.62 175.17 1pu0 s ALA 89 N 1.16 3.49 0.87 7.40 0.00 -0.28 -4.21 121.76 130.19 1pu0 s ALA 89 Ca 0.01 0.04 -0.04 0.00 0.00 0.00 0.00 51.96 51.97 1pu0 s ALA 89 Cb -0.14 -2.74 0.07 0.00 0.00 0.00 0.00 23.12 20.30 1pu0 s ALA 89 CO -0.04 0.17 0.42 -0.40 0.00 0.00 0.00 175.76 175.92 1pu0 n ASP 90 N 2.68 0.14 0.08 0.00 3.85 0.42 -1.13 116.55 122.60 1pu0 n ASP 90 Ca -0.07 -1.22 0.12 0.00 -0.71 0.00 0.00 54.79 52.91 1pu0 n ASP 90 Cb 0.51 -0.31 0.45 0.00 -1.35 0.00 0.00 41.12 40.42 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 -1.87 0.16 -0.03 0.11 2.85 -1.26 -1.84 118.16 116.29 1pu0 n LYS 91 Ca 0.06 0.27 0.12 0.00 -1.05 0.00 0.00 58.31 57.70 1pu0 n LYS 91 Cb 0.20 -1.74 0.56 0.00 -0.65 0.00 0.00 35.03 33.39 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 -2.03 0.80 0.00 -5.58 8.00 -1.26 -4.91 116.55 111.58 1pu0 n ASP 92 Ca 0.04 -1.46 0.00 0.00 0.71 0.00 0.00 54.79 54.08 1pu0 n ASP 92 Cb 0.30 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 1pu0 n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pu0 n GLY 93 N 1.00 0.75 3.33 0.44 0.00 -0.77 -4.86 105.19 105.08 1pu0 n GLY 93 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.22 2.73 -0.40 1.61 1.01 -1.26 -1.80 120.40 120.08 1pu0 s VAL 94 Ca 0.00 -0.78 -0.13 0.00 0.00 0.00 0.00 61.98 61.07 1pu0 s VAL 94 Cb 0.00 -2.11 0.03 0.00 0.00 0.00 0.00 36.38 34.29 1pu0 s VAL 94 CO 0.00 0.54 0.26 0.00 0.00 0.00 0.00 175.10 175.90 1pu0 s ALA 95 N 0.27 3.38 -0.70 5.51 0.00 0.12 -0.43 121.76 129.91 1pu0 s ALA 95 Ca -0.12 -1.74 -0.23 0.00 0.00 0.00 0.00 51.96 49.87 1pu0 s ALA 95 Cb -0.16 -2.75 0.06 0.00 0.00 0.00 0.00 23.12 20.27 1pu0 s ALA 95 CO 0.06 -1.44 1.05 -0.51 0.00 0.00 0.00 175.76 174.92 1pu0 s ASP 96 N 1.65 6.20 0.04 0.00 -0.00 -1.26 -0.68 116.67 122.62 1pu0 s ASP 96 Ca 0.03 -0.93 -0.26 0.00 -0.00 0.00 0.00 52.55 51.39 1pu0 s ASP 96 Cb -0.19 -2.45 -0.05 0.00 -0.00 0.00 0.00 42.92 40.22 1pu0 s ASP 96 CO 0.08 -1.51 0.80 -0.69 -0.00 0.00 0.00 175.17 173.85 1pu0 s VAL 97 N 4.39 4.73 -0.26 -1.27 1.01 0.99 -4.93 120.40 125.05 1pu0 s VAL 97 Ca 0.26 1.71 -0.02 0.00 0.00 0.00 0.00 61.98 63.93 1pu0 s VAL 97 Cb -0.14 -4.15 0.15 0.00 0.00 0.00 0.00 36.38 32.24 1pu0 s VAL 97 CO 0.10 0.34 0.45 -0.55 0.00 0.00 0.00 175.10 175.43 1pu0 s SER 98 N 0.09 -0.25 0.02 3.32 0.15 -1.25 -1.85 113.70 113.93 1pu0 s SER 98 Ca 0.41 0.35 0.00 0.00 0.70 0.00 0.00 55.95 57.41 1pu0 s SER 98 Cb -0.21 1.44 -0.02 0.00 -1.71 0.00 0.00 66.02 65.52 1pu0 s SER 98 CO 0.24 -0.29 -0.04 -0.63 1.20 0.00 0.00 173.24 173.72 1pu0 s ILE 99 N 2.64 0.19 -0.03 6.45 1.01 -0.24 -5.01 121.20 126.20 1pu0 s ILE 99 Ca 0.15 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.89 1pu0 s ILE 99 Cb -0.15 -0.32 0.00 0.00 0.01 0.00 0.00 42.46 42.00 1pu0 s ILE 99 CO -0.19 -0.48 -0.12 -0.70 0.00 0.00 0.00 174.94 173.45 1pu0 s GLU 100 N -1.48 1.30 -0.00 2.79 2.12 -1.26 -0.50 118.70 121.67 1pu0 s GLU 100 Ca -0.15 -0.42 0.01 0.00 0.36 0.00 0.00 54.97 54.78 1pu0 s GLU 100 Cb -0.10 -1.16 -0.00 0.00 0.26 0.00 0.00 34.13 33.12 1pu0 s GLU 100 CO -0.01 0.15 -0.04 0.34 -0.54 0.00 0.00 175.26 175.16 1pu0 s ASP 101 N 0.18 0.51 0.00 -1.70 -1.08 -0.19 -4.95 116.67 109.44 1pu0 s ASP 101 Ca -0.04 -0.09 0.13 0.00 -0.52 0.00 0.00 52.55 52.03 1pu0 s ASP 101 Cb -0.10 -0.05 0.25 0.00 -1.46 0.00 0.00 42.92 41.55 1pu0 s ASP 101 CO 0.01 0.05 1.13 -1.20 0.52 0.00 0.00 175.17 175.68 1pu0 n SER 102 N 2.95 2.66 -0.12 -0.34 7.64 -1.26 -0.60 113.62 124.54 1pu0 n SER 102 Ca -0.13 -1.81 -0.16 0.00 1.01 0.00 0.00 58.87 57.79 1pu0 n SER 102 Cb 0.58 -0.16 -0.13 0.00 -1.01 0.00 0.00 64.21 63.50 1pu0 n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1pu0 n VAL 103 N 0.70 1.47 -1.43 0.44 0.31 -1.26 -4.90 118.33 113.66 1pu0 n VAL 103 Ca 0.11 -0.64 -0.31 0.00 -0.01 0.00 0.00 64.34 63.49 1pu0 n VAL 103 Cb 0.40 -1.19 0.07 0.00 -0.91 0.00 0.00 33.84 32.21 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 -2.51 3.71 0.16 2.52 -4.36 -1.26 -4.87 121.20 114.59 1pu0 s ILE 104 Ca -0.29 0.56 -0.10 0.00 -0.26 0.00 0.00 60.65 60.56 1pu0 s ILE 104 Cb 0.08 -3.18 -0.00 0.00 1.25 0.00 0.00 42.46 40.61 1pu0 s ILE 104 CO 0.66 -0.73 0.31 -0.55 0.24 0.00 0.00 174.94 174.87 1pu0 s SER 105 N -3.62 0.01 -0.11 4.36 0.15 -0.82 -4.64 113.70 109.04 1pu0 s SER 105 Ca 0.59 -0.81 0.17 0.00 0.70 0.00 0.00 55.95 56.60 1pu0 s SER 105 Cb -0.15 0.45 0.62 0.00 -1.71 0.00 0.00 66.02 65.22 1pu0 s SER 105 CO 0.55 -0.90 1.53 0.18 1.20 0.00 0.00 173.24 175.80 1pu0 n LEU 106 N -0.22 4.32 -3.75 3.45 4.77 -1.26 -1.82 117.00 122.49 1pu0 n LEU 106 Ca -0.08 -2.49 -0.10 0.00 -0.03 0.00 0.00 56.01 53.32 1pu0 n LEU 106 Cb 0.63 -0.51 -0.04 0.00 -2.33 0.00 0.00 43.42 41.16 1pu0 n LEU 106 CO 0.23 0.77 0.23 -0.94 -1.33 0.00 0.00 177.39 176.36 1pu0 s SER 107 N -1.11 -0.23 0.19 -1.43 1.04 -1.26 -4.85 113.70 106.04 1pu0 s SER 107 Ca 0.45 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.37 1pu0 s SER 107 Cb 0.30 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.97 1pu0 s SER 107 CO 0.20 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 174.01 1pu0 n GLY 108 N -0.32 -0.89 0.36 7.32 0.00 -1.26 -3.58 105.19 106.83 1pu0 n GLY 108 Ca -0.10 -1.19 0.01 0.00 0.00 0.00 0.00 46.02 44.74 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 1.34 0.97 -0.57 1.61 3.32 -2.01 -2.40 116.42 118.68 1pu0 h ASP 109 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1pu0 h ASP 109 Cb 0.00 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.32 1pu0 h ASP 109 CO 0.00 0.68 0.00 1.41 -1.72 0.00 0.00 179.24 179.61 1pu0 n HIS 110 N -4.43 1.22 -1.89 4.55 8.25 -1.26 -4.98 115.22 116.68 1pu0 n HIS 110 Ca 0.11 -0.50 -0.42 0.00 -0.26 0.00 0.00 57.72 56.66 1pu0 n HIS 110 Cb 0.07 -0.19 -0.02 0.00 1.12 0.00 0.00 29.99 30.97 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 2.99 0.05 -1.74 0.00 -5.35 -0.76 -4.92 119.36 109.64 1pu0 n ILE 112 Ca 0.10 -0.53 -0.42 0.00 -0.27 0.00 0.00 62.75 61.64 1pu0 n ILE 112 Cb 0.38 1.34 -0.02 0.00 -1.74 0.00 0.00 39.64 39.60 1pu0 n ILE 112 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1pu0 n ILE 113 N 1.05 0.66 -0.58 7.28 2.08 -1.26 -1.97 119.36 126.62 1pu0 n ILE 113 Ca 0.11 -0.17 0.00 0.00 0.56 0.00 0.00 62.75 63.26 1pu0 n ILE 113 Cb 0.47 -1.99 0.00 0.00 -0.75 0.00 0.00 39.64 37.37 1pu0 n ILE 113 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1pu0 n GLY 114 N 2.81 1.20 2.84 7.39 0.00 0.06 -4.98 105.19 114.50 1pu0 n GLY 114 Ca 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 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 0.77 -4.80 1.61 1.74 -0.83 -2.51 116.66 110.63 1pu0 n ARG 115 Ca 0.00 -2.36 -0.33 0.00 -0.77 0.00 0.00 57.85 54.39 1pu0 n ARG 115 Cb 0.00 -0.03 -0.14 0.00 -1.02 0.00 0.00 32.46 31.27 1pu0 n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1pu0 s THR 116 N -1.75 3.03 -0.05 0.55 2.01 -1.07 -0.12 115.64 118.25 1pu0 s THR 116 Ca 0.38 -0.68 -0.20 0.00 0.31 0.00 0.00 61.69 61.50 1pu0 s THR 116 Cb -0.03 -2.26 -0.05 0.00 0.01 0.00 0.00 72.50 70.17 1pu0 s THR 116 CO 0.24 0.53 0.58 -0.22 -0.69 0.00 0.00 174.62 175.06 1pu0 s LEU 117 N 0.20 4.36 -0.03 4.42 2.96 -0.46 0.48 118.68 130.61 1pu0 s LEU 117 Ca -0.08 1.06 0.03 0.00 -0.22 0.00 0.00 54.13 54.92 1pu0 s LEU 117 Cb -0.15 -2.88 0.00 0.00 0.50 0.00 0.00 46.19 43.66 1pu0 s LEU 117 CO 0.05 0.04 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.32 1pu0 s VAL 118 N 0.18 0.93 -0.05 1.68 1.01 -0.31 -1.95 120.40 121.89 1pu0 s VAL 118 Ca 0.31 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 61.89 1pu0 s VAL 118 Cb -0.17 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 1pu0 s VAL 118 CO 0.15 0.28 -0.16 0.54 0.00 0.00 0.00 175.10 175.92 1pu0 s VAL 119 N 0.16 2.92 0.36 2.92 0.11 -0.61 -1.84 120.40 124.41 1pu0 s VAL 119 Ca -0.03 -0.78 0.08 0.00 -2.93 0.00 0.00 61.98 58.32 1pu0 s VAL 119 Cb -0.09 -2.13 -0.04 0.00 -1.53 0.00 0.00 36.38 32.59 1pu0 s VAL 119 CO 0.01 0.59 0.16 -1.00 -3.33 0.00 0.00 175.10 171.52 1pu0 s HIS 120 N -0.69 2.68 0.10 1.54 3.76 -0.32 -0.95 115.29 121.41 1pu0 s HIS 120 Ca 0.11 -0.42 -0.21 0.00 -0.15 0.00 0.00 55.06 54.38 1pu0 s HIS 120 Cb -0.11 -1.72 -0.11 0.00 1.11 0.00 0.00 32.58 31.76 1pu0 s HIS 120 CO 0.00 0.29 1.70 1.49 -0.85 0.00 0.00 174.74 177.38 1pu0 h GLU 121 N 1.51 0.17 -5.56 1.40 4.81 -0.47 -3.38 114.58 113.04 1pu0 h GLU 121 Ca -0.43 -0.02 -0.63 0.00 -0.13 0.00 0.00 59.36 58.15 1pu0 h GLU 121 Cb 1.25 -0.03 -0.11 0.00 0.63 0.00 0.00 28.75 30.48 1pu0 h GLU 121 CO 0.64 0.18 -0.53 0.15 -0.73 0.00 0.00 179.01 178.73 1pu0 s LYS 122 N -5.91 2.12 0.53 1.92 1.02 -0.02 -4.90 119.74 114.49 1pu0 s LYS 122 Ca -0.13 -2.16 -0.22 0.00 0.02 0.00 0.00 55.97 53.48 1pu0 s LYS 122 Cb 0.07 -1.70 -0.05 0.00 -0.52 0.00 0.00 37.83 35.62 1pu0 s LYS 122 CO 0.68 -0.22 1.29 0.00 -0.92 0.00 0.00 175.35 176.18 1pu0 s ALA 123 N -2.75 2.84 -0.12 5.17 0.00 -1.18 -1.17 121.76 124.54 1pu0 s ALA 123 Ca 0.26 1.19 -0.27 0.00 0.00 0.00 0.00 51.96 53.14 1pu0 s ALA 123 Cb 0.05 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 1pu0 s ALA 123 CO 0.14 -1.15 0.91 0.34 0.00 0.00 0.00 175.76 175.99 1pu0 s ASP 124 N -1.13 7.12 0.00 0.00 3.68 -1.26 -4.05 116.67 121.03 1pu0 s ASP 124 Ca 0.70 1.37 0.11 0.00 2.13 0.00 0.00 52.55 56.86 1pu0 s ASP 124 Cb -0.36 -2.50 0.38 0.00 -1.45 0.00 0.00 42.92 38.98 1pu0 s ASP 124 CO 0.43 -0.38 1.29 -0.90 0.13 0.00 0.00 175.17 175.74 1pu0 n ASP 125 N 4.89 1.49 -1.90 -0.34 3.85 0.24 -4.88 116.55 119.90 1pu0 n ASP 125 Ca 0.06 -1.92 -0.18 0.00 -0.71 0.00 0.00 54.79 52.03 1pu0 n ASP 125 Cb 0.49 -0.17 -0.03 0.00 -1.35 0.00 0.00 41.12 40.06 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 0.29 -1.70 0.00 -2.12 4.77 -1.26 -2.25 117.00 114.73 1pu0 n LEU 126 Ca 0.11 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1pu0 n LEU 126 Cb 0.25 -2.64 0.00 0.00 -2.33 0.00 0.00 43.42 38.70 1pu0 n LEU 126 CO 0.08 -0.42 0.00 0.61 -1.33 0.00 0.00 177.39 176.33 1pu0 n GLY 127 N -0.93 0.63 1.37 -0.72 0.00 -1.26 -3.25 105.19 101.02 1pu0 n GLY 127 Ca -0.21 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.74 3.40 0.00 1.61 5.02 -0.95 -4.59 118.16 119.91 1pu0 n LYS 128 Ca 0.00 -3.00 0.12 0.00 -2.02 0.00 0.00 58.31 53.41 1pu0 n LYS 128 Cb 0.00 -2.01 0.30 0.00 -0.02 0.00 0.00 35.03 33.30 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 -0.27 -1.29 3.02 0.72 0.00 -1.26 -4.95 105.19 101.15 1pu0 n GLY 129 Ca 0.28 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 1.49 0.62 3.80 -0.02 0.00 -1.26 -4.97 105.19 104.85 1pu0 n GLY 130 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.52 4.61 0.30 1.61 4.22 -1.26 -5.02 114.94 116.87 1pu0 s ASN 131 Ca 0.00 -1.04 -0.00 0.00 -2.14 0.00 0.00 52.86 49.68 1pu0 s ASN 131 Cb 0.00 -0.33 0.45 0.00 1.28 0.00 0.00 41.25 42.65 1pu0 s ASN 131 CO 0.00 -0.67 1.86 -0.33 -2.04 0.00 0.00 177.10 175.92 1pu0 h GLU 132 N 1.22 0.82 -0.03 3.55 5.08 -2.01 -2.55 114.58 120.66 1pu0 h GLU 132 Ca -0.42 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 57.74 1pu0 h GLU 132 Cb 1.27 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 1pu0 h GLU 132 CO 0.65 0.70 -0.29 1.49 -1.00 0.00 0.00 179.01 180.56 1pu0 h GLU 133 N 0.80 0.05 -0.78 2.33 4.57 -1.99 -2.41 114.58 117.16 1pu0 h GLU 133 Ca 0.19 -0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.40 1pu0 h GLU 133 Cb 0.22 -0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.75 1pu0 h GLU 133 CO -0.01 0.34 0.51 1.03 -1.18 0.00 0.00 179.01 179.70 1pu0 h SER 134 N 0.04 0.77 0.51 1.04 0.87 -1.79 0.89 113.55 115.88 1pu0 h SER 134 Ca 0.00 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1pu0 h SER 134 Cb 0.54 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1pu0 h SER 134 CO 0.04 0.51 0.00 0.35 -0.53 0.00 0.00 176.83 177.20 1pu0 n THR 135 N -4.47 0.25 -0.05 2.23 -2.24 -0.91 -1.87 114.28 107.22 1pu0 n THR 135 Ca 0.11 0.06 -0.11 0.00 -2.27 0.00 0.00 64.05 61.84 1pu0 n THR 135 Cb 0.17 -0.66 -0.04 0.00 -2.10 0.00 0.00 70.33 67.70 1pu0 n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1pu0 n LYS 136 N -1.32 0.26 0.00 -0.78 5.02 -0.33 -1.02 118.16 119.99 1pu0 n LYS 136 Ca 0.11 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 1pu0 n LYS 136 Cb 0.20 -0.93 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 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 -3.62 0.00 -1.02 -0.18 -2.24 0.16 -4.68 114.28 102.70 1pu0 n THR 137 Ca -0.21 -0.40 -0.01 0.00 -2.27 0.00 0.00 64.05 61.17 1pu0 n THR 137 Cb 0.59 1.07 -0.00 0.00 -2.10 0.00 0.00 70.33 69.89 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 0.51 0.45 3.33 3.38 0.00 -0.78 -3.10 105.19 108.98 1pu0 n GLY 138 Ca 0.00 -0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 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 0.05 -5.93 -0.21 1.61 3.02 -1.25 -0.59 115.26 111.95 1pu0 n ASN 139 Ca -0.01 -0.43 0.14 0.00 -0.03 0.00 0.00 54.58 54.26 1pu0 n ASN 139 Cb 0.10 -4.74 0.64 0.00 -0.61 0.00 0.00 39.78 35.16 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 -4.17 2.72 -0.32 5.41 0.00 -1.18 -4.71 120.51 118.26 1pu0 n ALA 140 Ca -0.05 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1pu0 n ALA 140 Cb 0.58 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 1.19 -0.17 3.84 0.00 0.00 -1.26 -0.84 105.19 107.95 1pu0 n GLY 141 Ca 0.18 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 1pu0 n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pu0 s SER 142 N -4.00 4.61 -0.45 1.61 1.04 -1.26 -4.61 113.70 110.63 1pu0 s SER 142 Ca 0.00 1.13 -0.21 0.00 0.48 0.00 0.00 55.95 57.35 1pu0 s SER 142 Cb 0.00 -1.82 0.03 0.00 0.10 0.00 0.00 66.02 64.33 1pu0 s SER 142 CO 0.00 -1.87 0.68 -0.13 0.98 0.00 0.00 173.24 172.89 1pu0 s ARG 143 N -5.29 3.28 0.05 4.02 0.52 -1.26 -0.10 118.95 120.17 1pu0 s ARG 143 Ca 0.61 -0.38 0.02 0.00 -0.52 0.00 0.00 55.73 55.46 1pu0 s ARG 143 Cb -0.13 -3.97 -0.25 0.00 0.52 0.00 0.00 34.95 31.12 1pu0 s ARG 143 CO 0.53 -1.07 1.04 -0.07 0.02 0.00 0.00 175.30 175.75 1pu0 h LEU 144 N 9.83 0.20 -7.01 2.53 3.38 -1.34 -3.47 115.31 119.43 1pu0 h LEU 144 Ca -0.26 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.42 1pu0 h LEU 144 Cb 1.09 -0.07 -0.16 0.00 0.09 0.00 0.00 40.66 41.61 1pu0 h LEU 144 CO 0.92 1.21 0.19 0.00 0.09 0.00 0.00 178.44 180.84 1pu0 s ALA 145 N -2.66 -1.68 0.23 1.53 0.00 -1.17 -4.13 121.76 113.88 1pu0 s ALA 145 Ca -0.04 0.98 -0.18 0.00 0.00 0.00 0.00 51.96 52.73 1pu0 s ALA 145 Cb 0.08 0.34 0.02 0.00 0.00 0.00 0.00 23.12 23.56 1pu0 s ALA 145 CO 0.84 -0.52 0.57 0.00 0.00 0.00 0.00 175.76 176.66 1pu0 s GLY 147 N -2.91 -0.57 0.12 0.00 0.00 -0.82 -1.75 107.32 101.39 1pu0 s GLY 147 Ca 0.12 1.02 -0.26 0.00 0.00 0.00 0.00 44.72 45.60 1pu0 s GLY 147 CO 0.01 0.61 0.81 0.14 0.00 0.00 0.00 173.10 174.68 1pu0 s VAL 148 N -2.31 4.49 -0.13 1.40 1.01 -1.26 -1.36 120.40 122.24 1pu0 s VAL 148 Ca -0.05 1.77 -0.27 0.00 0.00 0.00 0.00 61.98 63.42 1pu0 s VAL 148 Cb -0.00 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.19 1pu0 s VAL 148 CO -0.01 0.43 0.92 -0.63 0.00 0.00 0.00 175.10 175.81 1pu0 s ILE 149 N -0.58 4.84 0.28 2.22 1.01 0.83 -4.54 121.20 125.26 1pu0 s ILE 149 Ca 0.39 1.85 0.11 0.00 0.00 0.00 0.00 60.65 63.00 1pu0 s ILE 149 Cb -0.22 -4.23 -0.05 0.00 0.01 0.00 0.00 42.46 37.97 1pu0 s ILE 149 CO 0.26 0.03 -0.15 -0.83 0.00 0.00 0.00 174.94 174.25 1pu0 s GLY 150 N 1.10 1.87 0.21 6.18 0.00 0.23 -0.76 107.32 116.16 1pu0 s GLY 150 Ca 0.44 -1.85 -0.30 0.00 0.00 0.00 0.00 44.72 43.01 1pu0 s GLY 150 CO 0.16 -1.92 1.35 -0.42 0.00 0.00 0.00 173.10 172.26 1pu0 s ILE 151 N -2.48 3.04 0.25 0.90 1.01 -1.26 -0.68 121.20 121.98 1pu0 s ILE 151 Ca 0.31 0.86 0.11 0.00 0.00 0.00 0.00 60.65 61.92 1pu0 s ILE 151 Cb -0.05 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 38.83 1pu0 s ILE 151 CO 0.16 0.13 -0.11 0.00 0.00 0.00 0.00 174.94 175.12 1pu0 s ALA 152 N 0.06 2.92 -2.00 9.38 0.00 -0.15 -4.77 121.76 127.22 1pu0 s ALA 152 Ca 0.57 -1.71 0.23 0.00 0.00 0.00 0.00 51.96 51.05 1pu0 s ALA 152 Cb -0.38 -0.54 1.37 0.00 0.00 0.00 0.00 23.12 23.57 1pu0 s ALA 152 CO 0.40 0.32 1.74 0.94 0.00 0.00 0.00 175.76 179.16