#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dku s PHE 2 N 0.00 3.43 -0.09 3.17 5.36 -1.26 -5.06 117.98 123.53 3dku s PHE 2 Ca 0.00 1.43 -0.04 0.00 -0.96 0.00 0.00 56.93 57.36 3dku s PHE 2 Cb 0.00 -3.43 0.05 0.00 -0.34 0.00 0.00 43.02 39.30 3dku s PHE 2 CO 0.00 -1.19 0.19 0.15 -1.46 0.00 0.00 175.22 172.91 3dku s LYS 3 N -0.22 0.09 0.65 10.12 1.02 -1.26 -5.16 119.74 124.99 3dku s LYS 3 Ca 0.53 0.54 -0.13 0.00 0.02 0.00 0.00 55.97 56.93 3dku s LYS 3 Cb -0.32 -0.18 -0.01 0.00 -0.52 0.00 0.00 37.83 36.79 3dku s LYS 3 CO 0.36 -0.24 1.07 -1.25 -0.92 0.00 0.00 175.35 174.36 3dku s PRO 4 N 1.87 3.04 -0.03 -1.68 0.04 -1.26 -4.99 135.00 131.99 3dku s PRO 4 Ca -0.02 1.13 -0.30 0.00 0.04 0.00 0.00 61.00 61.85 3dku s PRO 4 Cb -0.12 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 3dku s PRO 4 CO -0.07 -1.03 1.00 -1.01 0.04 0.00 0.00 177.00 175.94 3dku s HIS 5 N -2.69 3.60 -0.34 0.56 3.76 0.22 -4.92 115.29 115.48 3dku s HIS 5 Ca 0.62 1.65 -0.13 0.00 -0.15 0.00 0.00 55.06 57.04 3dku s HIS 5 Cb -0.16 -3.16 -0.02 0.00 1.11 0.00 0.00 32.58 30.36 3dku s HIS 5 CO 0.45 -0.15 0.24 0.08 -0.85 0.00 0.00 174.74 174.52 3dku s VAL 6 N 1.30 5.27 0.47 -0.90 1.01 -1.26 0.11 120.40 126.40 3dku s VAL 6 Ca 0.51 -0.23 0.06 0.00 0.00 0.00 0.00 61.98 62.33 3dku s VAL 6 Cb -0.21 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 3dku s VAL 6 CO 0.25 -0.01 0.31 0.42 0.00 0.00 0.00 175.10 176.07 3dku s THR 7 N 1.72 2.09 -0.07 3.92 -4.23 0.11 -0.34 115.64 118.83 3dku s THR 7 Ca 0.06 -1.54 -0.04 0.00 -1.18 0.00 0.00 61.69 58.98 3dku s THR 7 Cb -0.17 -2.63 0.03 0.00 1.34 0.00 0.00 72.50 71.06 3dku s THR 7 CO 0.10 0.00 0.17 0.68 -0.54 0.00 0.00 174.62 175.03 3dku s VAL 8 N -2.65 -0.03 0.14 2.29 -7.23 0.18 -1.63 120.40 111.48 3dku s VAL 8 Ca 0.38 0.11 0.07 0.00 -1.81 0.00 0.00 61.98 60.73 3dku s VAL 8 Cb -0.00 -0.26 -0.04 0.00 0.56 0.00 0.00 36.38 36.64 3dku s VAL 8 CO 0.22 0.04 -0.16 0.00 -0.31 0.00 0.00 175.10 174.90 3dku s ALA 9 N 0.80 1.73 -0.17 1.32 0.00 0.76 -1.90 121.76 124.30 3dku s ALA 9 Ca -0.06 -1.39 0.01 0.00 0.00 0.00 0.00 51.96 50.52 3dku s ALA 9 Cb -0.08 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 22.94 3dku s ALA 9 CO -0.04 0.16 -0.17 0.00 0.00 0.00 0.00 175.76 175.71 3dku s VAL 11 N 1.37 4.28 -0.31 0.00 1.01 0.14 -4.10 120.40 122.79 3dku s VAL 11 Ca 0.05 0.74 -0.07 0.00 0.00 0.00 0.00 61.98 62.69 3dku s VAL 11 Cb -0.13 -4.58 0.01 0.00 0.00 0.00 0.00 36.38 31.69 3dku s VAL 11 CO -0.12 -1.09 0.10 -0.69 0.00 0.00 0.00 175.10 173.31 3dku s VAL 12 N 4.27 4.07 -0.04 2.92 1.01 -1.26 -0.60 120.40 130.77 3dku s VAL 12 Ca 0.39 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.69 3dku s VAL 12 Cb -0.09 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.14 3dku s VAL 12 CO 0.25 0.02 -0.20 -2.28 0.00 0.00 0.00 175.10 172.89 3dku s HIS 13 N 1.51 1.96 -0.24 5.22 5.04 0.18 -0.81 115.29 128.15 3dku s HIS 13 Ca 0.02 -0.51 -0.13 0.00 -1.54 0.00 0.00 55.06 52.90 3dku s HIS 13 Cb -0.18 -1.29 0.08 0.00 0.04 0.00 0.00 32.58 31.23 3dku s HIS 13 CO 0.03 -0.14 0.57 0.00 -2.34 0.00 0.00 174.74 172.86 3dku s ALA 14 N -0.18 -1.54 -1.13 1.58 0.00 -0.88 -0.52 121.76 119.09 3dku s ALA 14 Ca -0.00 2.04 -0.22 0.00 0.00 0.00 0.00 51.96 53.78 3dku s ALA 14 Cb -0.11 -1.26 -0.00 0.00 0.00 0.00 0.00 23.12 21.74 3dku s ALA 14 CO 0.02 -0.40 0.78 0.39 0.00 0.00 0.00 175.76 176.55 3dku n GLU 15 N 4.44 -1.10 -1.42 0.00 1.02 -1.26 -1.75 120.64 120.58 3dku n GLU 15 Ca -0.20 0.44 -0.15 0.00 -0.02 0.00 0.00 57.16 57.23 3dku n GLU 15 Cb 0.56 -3.90 -0.06 0.00 -0.02 0.00 0.00 31.44 28.02 3dku n GLU 15 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dku n GLY 16 N -1.73 1.40 3.10 0.62 0.00 -1.26 -4.94 105.19 102.38 3dku n GLY 16 Ca -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 3dku n GLY 16 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dku s LYS 17 N -3.24 0.62 -0.04 1.61 2.20 -0.71 -4.64 119.74 115.55 3dku s LYS 17 Ca 0.00 -0.90 0.06 0.00 -0.36 0.00 0.00 55.97 54.77 3dku s LYS 17 Cb 0.00 -0.33 -0.02 0.00 -1.51 0.00 0.00 37.83 35.97 3dku s LYS 17 CO 0.00 0.05 -0.21 -0.06 -0.36 0.00 0.00 175.35 174.77 3dku s PHE 18 N -1.85 2.50 -0.08 4.03 0.08 0.26 -2.07 117.98 120.85 3dku s PHE 18 Ca -0.04 -0.35 -0.26 0.00 0.12 0.00 0.00 56.93 56.39 3dku s PHE 18 Cb -0.07 -1.57 -0.03 0.00 -0.57 0.00 0.00 43.02 40.79 3dku s PHE 18 CO -0.00 0.04 0.85 -1.17 -0.10 0.00 0.00 175.22 174.83 3dku s LEU 19 N -0.61 4.28 -0.02 -0.37 2.96 0.01 -1.37 118.68 123.56 3dku s LEU 19 Ca 0.09 1.35 -0.01 0.00 -0.22 0.00 0.00 54.13 55.34 3dku s LEU 19 Cb -0.11 -3.31 0.02 0.00 0.50 0.00 0.00 46.19 43.29 3dku s LEU 19 CO 0.00 -0.27 0.05 -0.69 -1.32 0.00 0.00 176.35 174.12 3dku s VAL 20 N 1.37 -0.03 -0.07 1.68 1.01 -0.31 -4.43 120.40 119.62 3dku s VAL 20 Ca 0.43 0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.54 3dku s VAL 20 Cb -0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 36.38 36.09 3dku s VAL 20 CO 0.19 0.04 -0.20 0.68 0.00 0.00 0.00 175.10 175.81 3dku s VAL 21 N 0.50 2.50 -0.12 2.92 -7.23 0.49 0.24 120.40 119.70 3dku s VAL 21 Ca -0.04 -0.90 -0.17 0.00 -1.81 0.00 0.00 61.98 59.06 3dku s VAL 21 Cb -0.06 -1.96 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 3dku s VAL 21 CO -0.02 0.57 0.41 -0.70 -0.31 0.00 0.00 175.10 175.05 3dku s GLU 22 N -0.17 4.29 0.14 4.82 2.12 0.42 -1.68 118.70 128.64 3dku s GLU 22 Ca -0.02 0.34 0.05 0.00 0.36 0.00 0.00 54.97 55.70 3dku s GLU 22 Cb -0.14 -3.42 -0.04 0.00 0.26 0.00 0.00 34.13 30.79 3dku s GLU 22 CO 0.04 0.22 -0.12 -2.00 -0.54 0.00 0.00 175.26 172.85 3dku s GLU 23 N 0.46 1.05 -0.42 4.30 2.12 -0.38 -0.10 118.70 125.72 3dku s GLU 23 Ca 0.23 -1.35 0.03 0.00 0.36 0.00 0.00 54.97 54.24 3dku s GLU 23 Cb -0.15 -0.78 0.11 0.00 0.26 0.00 0.00 34.13 33.58 3dku s GLU 23 CO 0.08 0.13 0.16 0.99 -0.54 0.00 0.00 175.26 176.08 3dku s THR 24 N -2.70 2.58 -0.14 -1.70 2.01 -1.26 -1.51 115.64 112.93 3dku s THR 24 Ca 0.13 -2.68 -0.13 0.00 0.31 0.00 0.00 61.69 59.31 3dku s THR 24 Cb -0.02 -2.83 -0.25 0.00 0.01 0.00 0.00 72.50 69.42 3dku s THR 24 CO 0.02 -0.69 0.39 -0.29 -0.69 0.00 0.00 174.62 173.36 3dku h ILE 25 N 6.13 0.81 -1.85 1.82 6.09 -1.89 -3.46 117.51 125.16 3dku h ILE 25 Ca -0.06 -2.32 0.07 0.00 -1.37 0.00 0.00 64.86 61.18 3dku h ILE 25 Cb 0.98 2.50 -0.21 0.00 0.47 0.00 0.00 36.82 40.55 3dku h ILE 25 CO 0.61 0.70 -0.00 0.54 -3.07 0.00 0.00 178.15 176.92 3dku s ASN 26 N -7.00 -0.97 0.00 2.19 2.20 -1.26 -4.97 114.94 105.12 3dku s ASN 26 Ca -0.23 1.41 0.00 0.00 -0.94 0.00 0.00 52.86 53.10 3dku s ASN 26 Cb 0.06 1.86 0.00 0.00 -2.00 0.00 0.00 41.25 41.17 3dku s ASN 26 CO 0.73 -0.21 0.00 0.61 -2.94 0.00 0.00 177.10 175.29 3dku n GLY 27 N 4.90 0.00 3.50 0.45 0.00 -1.26 -4.81 105.19 107.98 3dku n GLY 27 Ca -0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 3dku n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dku s LYS 28 N 0.00 1.82 -0.49 1.61 1.02 -1.26 -5.10 119.74 117.35 3dku s LYS 28 Ca 0.00 -1.32 -0.18 0.00 0.02 0.00 0.00 55.97 54.49 3dku s LYS 28 Cb 0.00 -2.06 0.06 0.00 -0.52 0.00 0.00 37.83 35.31 3dku s LYS 28 CO 0.00 0.44 0.55 0.00 -0.92 0.00 0.00 175.35 175.41 3dku s ALA 29 N -1.53 3.43 0.06 5.17 0.00 -1.26 -2.70 121.76 124.93 3dku s ALA 29 Ca 0.22 -1.79 0.05 0.00 0.00 0.00 0.00 51.96 50.43 3dku s ALA 29 Cb -0.09 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 3dku s ALA 29 CO 0.12 -1.88 -0.06 -0.51 0.00 0.00 0.00 175.76 173.43 3dku s LEU 30 N 2.33 3.21 0.35 0.00 2.01 -0.57 -4.86 118.68 121.16 3dku s LEU 30 Ca 0.12 -0.23 0.07 0.00 0.01 0.00 0.00 54.13 54.11 3dku s LEU 30 Cb -0.20 -1.93 -0.02 0.00 0.01 0.00 0.00 46.19 44.05 3dku s LEU 30 CO 0.11 0.22 0.36 0.26 1.01 0.00 0.00 176.35 178.31 3dku s TRP 31 N -1.15 2.93 -0.11 0.29 0.52 0.43 -1.25 118.94 120.59 3dku s TRP 31 Ca 0.21 -0.31 -0.30 0.00 0.02 0.00 0.00 56.10 55.72 3dku s TRP 31 Cb -0.11 -1.91 0.12 0.00 -1.15 0.00 0.00 33.47 30.42 3dku s TRP 31 CO 0.12 0.07 1.00 1.21 0.02 0.00 0.00 176.95 179.38 3dku s ASN 32 N -4.07 -0.33 0.71 2.95 2.47 -0.68 -1.63 114.94 114.37 3dku s ASN 32 Ca 0.43 0.20 -0.16 0.00 0.42 0.00 0.00 52.86 53.75 3dku s ASN 32 Cb -0.07 0.30 0.00 0.00 -1.45 0.00 0.00 41.25 40.04 3dku s ASN 32 CO 0.28 -0.42 0.97 0.00 -3.72 0.00 0.00 177.10 174.22 3dku n GLN 33 N 0.27 0.56 -1.68 0.43 3.00 -1.26 -0.38 117.38 118.31 3dku n GLN 33 Ca -0.08 0.24 -0.45 0.00 -0.01 0.00 0.00 57.00 56.71 3dku n GLN 33 Cb 0.59 -2.22 -0.04 0.00 0.00 0.00 0.00 30.24 28.57 3dku n GLN 33 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 3dku n PRO 34 N -1.77 2.40 -3.50 -1.09 -0.02 -1.26 -4.72 135.00 125.05 3dku n PRO 34 Ca 0.13 0.87 -0.08 0.00 -2.02 0.00 0.00 63.50 62.40 3dku n PRO 34 Cb 0.49 -2.69 0.03 0.00 -0.02 0.00 0.00 33.50 31.31 3dku n PRO 34 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dku n ALA 35 N 4.39 -1.62 0.00 3.55 0.00 -1.26 -0.88 120.51 124.69 3dku n ALA 35 Ca 0.18 -1.13 0.00 0.00 0.00 0.00 0.00 53.44 52.48 3dku n ALA 35 Cb 0.32 0.90 0.00 0.00 0.00 0.00 0.00 19.45 20.66 3dku n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dku n GLY 36 N -0.48 2.29 3.74 0.00 0.00 -0.80 -4.95 105.19 104.98 3dku n GLY 36 Ca -0.08 -1.53 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 3dku n GLY 36 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dku s HIS 37 N -1.88 3.68 0.31 1.61 3.76 -1.26 -0.64 115.29 120.86 3dku s HIS 37 Ca 0.00 1.68 -0.28 0.00 -0.15 0.00 0.00 55.06 56.30 3dku s HIS 37 Cb 0.00 -3.20 -0.13 0.00 1.11 0.00 0.00 32.58 30.36 3dku s HIS 37 CO 0.00 -0.33 1.12 -0.11 -0.85 0.00 0.00 174.74 174.57 3dku n LEU 38 N 2.32 2.47 -4.85 0.89 7.94 0.53 -4.90 117.00 121.41 3dku n LEU 38 Ca 0.02 1.19 -0.28 0.00 -1.11 0.00 0.00 56.01 55.83 3dku n LEU 38 Cb 0.47 -1.36 -0.03 0.00 0.53 0.00 0.00 43.42 43.02 3dku n LEU 38 CO 0.53 -1.04 -0.06 -1.61 -1.11 0.00 0.00 177.39 174.10 3dku s GLU 39 N -1.64 2.24 0.57 1.96 2.02 -1.26 -4.94 118.70 117.65 3dku s GLU 39 Ca 0.58 -2.11 -0.20 0.00 0.02 0.00 0.00 54.97 53.25 3dku s GLU 39 Cb -0.65 -1.92 -0.04 0.00 0.10 0.00 0.00 34.13 31.61 3dku s GLU 39 CO 0.61 -0.49 1.26 0.00 0.02 0.00 0.00 175.26 176.66 3dku n ALA 40 N -1.56 1.17 -2.56 5.21 0.00 -1.26 -3.67 120.51 117.84 3dku n ALA 40 Ca -0.07 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3dku n ALA 40 Cb 0.65 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.81 3dku n ALA 40 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3dku n ASP 41 N -1.09 0.00 -3.88 0.00 5.68 -1.26 -4.94 116.55 111.06 3dku n ASP 41 Ca 0.12 0.00 -0.11 0.00 -0.50 0.00 0.00 54.79 54.30 3dku n ASP 41 Cb 0.46 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.31 3dku n ASP 41 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 3dku s GLU 42 N -2.67 0.19 0.66 0.11 2.12 -1.24 -5.16 118.70 112.71 3dku s GLU 42 Ca 0.00 -0.12 -0.11 0.00 0.36 0.00 0.00 54.97 55.10 3dku s GLU 42 Cb 0.00 0.08 -0.01 0.00 0.26 0.00 0.00 34.13 34.46 3dku s GLU 42 CO 0.00 -0.03 1.05 0.99 -0.54 0.00 0.00 175.26 176.72 3dku s THR 43 N -0.48 4.29 0.15 -1.70 2.01 -1.26 -4.84 115.64 113.81 3dku s THR 43 Ca -0.05 0.76 -0.14 0.00 0.31 0.00 0.00 61.69 62.57 3dku s THR 43 Cb -0.03 -3.58 0.03 0.00 0.01 0.00 0.00 72.50 68.92 3dku s THR 43 CO 0.00 -0.95 1.69 -0.07 -0.69 0.00 0.00 174.62 174.60 3dku h LEU 44 N -0.49 0.70 -0.88 4.42 3.38 -1.99 0.88 115.31 121.33 3dku h LEU 44 Ca -0.44 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.27 3dku h LEU 44 Cb 1.20 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 3dku h LEU 44 CO 0.59 0.69 -0.02 -0.37 0.09 0.00 0.00 178.44 179.42 3dku h VAL 45 N 0.66 1.25 -0.68 1.22 -1.51 -1.93 -1.47 116.25 113.78 3dku h VAL 45 Ca 0.16 -1.04 -0.01 0.00 -1.23 0.00 0.00 66.70 64.59 3dku h VAL 45 Cb 0.22 0.89 -0.03 0.00 -2.13 0.00 0.00 31.29 30.24 3dku h VAL 45 CO -0.01 0.37 0.40 -0.33 -1.23 0.00 0.00 177.57 176.77 3dku h GLU 46 N 0.75 0.92 -0.07 5.19 5.08 -1.87 -2.74 114.58 121.84 3dku h GLU 46 Ca 0.14 -0.08 -0.21 0.00 -1.00 0.00 0.00 59.36 58.22 3dku h GLU 46 Cb 0.48 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3dku h GLU 46 CO 0.02 0.65 -0.81 0.00 -1.00 0.00 0.00 179.01 177.88 3dku h ALA 47 N 1.51 0.46 -0.57 3.43 0.00 -0.48 -1.57 119.26 122.04 3dku h ALA 47 Ca 0.24 -0.63 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 3dku h ALA 47 Cb -0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3dku h ALA 47 CO -0.04 0.76 0.07 0.00 0.00 0.00 0.00 179.25 180.03 3dku h ALA 48 N 0.79 0.75 -0.12 0.00 0.00 -1.11 -0.80 119.26 118.76 3dku h ALA 48 Ca -0.05 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 3dku h ALA 48 Cb 1.41 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3dku h ALA 48 CO 0.15 0.52 -0.27 0.00 0.00 0.00 0.00 179.25 179.65 3dku h ALA 49 N 0.99 0.20 -0.95 0.00 0.00 -1.51 0.02 119.26 118.01 3dku h ALA 49 Ca 0.17 -0.40 0.15 0.00 0.00 0.00 0.00 54.91 54.83 3dku h ALA 49 Cb 0.44 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.11 3dku h ALA 49 CO 0.01 0.20 0.56 -0.09 0.00 0.00 0.00 179.25 179.93 3dku h ARG 50 N -0.02 0.78 -0.01 0.00 2.43 -1.20 0.24 114.38 116.61 3dku h ARG 50 Ca 0.00 -0.05 -0.19 0.00 -0.81 0.00 0.00 59.98 58.94 3dku h ARG 50 Cb 0.86 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 3dku h ARG 50 CO 0.06 0.52 -0.83 1.49 -1.51 0.00 0.00 179.97 179.69 3dku h GLU 51 N 0.80 0.17 -0.48 0.20 4.57 -0.93 0.15 114.58 119.06 3dku h GLU 51 Ca 0.51 -0.18 -0.12 0.00 -1.18 0.00 0.00 59.36 58.39 3dku h GLU 51 Cb 0.65 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.28 3dku h GLU 51 CO -0.33 0.91 -0.17 1.25 -1.18 0.00 0.00 179.01 179.49 3dku h LEU 52 N 0.10 0.96 -0.32 1.64 6.46 0.72 -2.29 115.31 122.58 3dku h LEU 52 Ca -0.03 -0.34 -0.01 0.00 -0.12 0.00 0.00 57.88 57.38 3dku h LEU 52 Cb 1.44 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 41.09 3dku h LEU 52 CO 0.12 1.11 0.17 -0.25 -0.62 0.00 0.00 178.44 178.97 3dku h TRP 53 N 0.83 0.44 -0.20 1.25 2.91 -0.42 -2.20 115.95 118.56 3dku h TRP 53 Ca 0.12 -0.01 -0.15 0.00 1.13 0.00 0.00 58.89 59.98 3dku h TRP 53 Cb 0.72 -0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 29.22 3dku h TRP 53 CO 0.05 0.35 -0.49 0.93 -1.03 0.00 0.00 178.44 178.25 3dku h GLU 54 N 0.39 0.54 0.00 2.65 5.08 -0.63 -0.49 114.58 122.13 3dku h GLU 54 Ca 0.11 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3dku h GLU 54 Cb 0.06 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3dku h GLU 54 CO -0.02 0.91 -0.61 0.39 -1.00 0.00 0.00 179.01 178.68 3dku n GLU 55 N -3.98 0.06 0.00 2.33 1.02 -0.89 -0.47 120.64 118.70 3dku n GLU 55 Ca -0.02 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 3dku n GLU 55 Cb 0.57 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 3dku n GLU 55 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3dku n THR 56 N -1.61 0.00 -0.79 2.62 -2.24 -0.84 -4.37 114.28 107.04 3dku n THR 56 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 3dku n THR 56 Cb 0.36 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 3dku n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dku n GLY 57 N 0.64 0.78 3.85 3.38 0.00 -0.20 0.13 105.19 113.77 3dku n GLY 57 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3dku n GLY 57 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dku s ILE 58 N -2.93 5.04 -0.30 -0.61 -4.36 -1.26 -4.74 121.20 112.04 3dku s ILE 58 Ca 0.00 0.65 -0.04 0.00 -0.26 0.00 0.00 60.65 61.00 3dku s ILE 58 Cb 0.00 -3.68 0.03 0.00 1.25 0.00 0.00 42.46 40.06 3dku s ILE 58 CO 0.00 0.40 0.04 -0.55 0.24 0.00 0.00 174.94 175.07 3dku s SER 59 N -1.49 4.98 -0.18 4.36 0.15 -1.26 -3.32 113.70 116.93 3dku s SER 59 Ca 0.30 -1.02 -0.28 0.00 0.70 0.00 0.00 55.95 55.65 3dku s SER 59 Cb -0.15 -1.79 0.09 0.00 -1.71 0.00 0.00 66.02 62.46 3dku s SER 59 CO 0.16 -0.24 0.83 0.00 1.20 0.00 0.00 173.24 175.20 3dku s ALA 60 N 1.37 -1.85 0.16 5.45 0.00 -1.26 -5.12 121.76 120.51 3dku s ALA 60 Ca -0.01 1.69 -0.21 0.00 0.00 0.00 0.00 51.96 53.43 3dku s ALA 60 Cb -0.18 -0.79 -0.08 0.00 0.00 0.00 0.00 23.12 22.07 3dku s ALA 60 CO 0.00 -0.32 0.69 -0.65 0.00 0.00 0.00 175.76 175.48 3dku s GLN 61 N -0.43 4.32 0.27 0.00 -1.52 -1.26 -4.57 119.66 116.47 3dku s GLN 61 Ca -0.03 0.90 -0.31 0.00 -1.95 0.00 0.00 55.36 53.97 3dku s GLN 61 Cb -0.03 -3.11 -0.12 0.00 -0.22 0.00 0.00 33.01 29.54 3dku s GLN 61 CO 0.02 0.53 1.61 -0.35 -0.25 0.00 0.00 175.29 176.85 3dku n PRO 62 N 1.28 2.67 -0.06 2.91 -0.04 -1.26 -4.85 135.00 135.65 3dku n PRO 62 Ca -0.06 0.95 -0.08 0.00 -0.04 0.00 0.00 63.50 64.28 3dku n PRO 62 Cb 0.50 -2.74 -0.15 0.00 -0.04 0.00 0.00 33.50 31.07 3dku n PRO 62 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3dku n GLN 63 N 2.58 0.66 -3.69 0.54 6.02 -0.68 -5.00 117.38 117.82 3dku n GLN 63 Ca 0.11 0.11 -0.10 0.00 -0.01 0.00 0.00 57.00 57.11 3dku n GLN 63 Cb 0.36 -1.64 -0.05 0.00 1.02 0.00 0.00 30.24 29.92 3dku n GLN 63 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 3dku s HIS 64 N -2.62 -0.12 -0.11 1.08 3.76 -1.19 -4.96 115.29 111.12 3dku s HIS 64 Ca -0.07 -0.22 -0.01 0.00 -0.15 0.00 0.00 55.06 54.61 3dku s HIS 64 Cb 0.07 0.22 -0.02 0.00 1.11 0.00 0.00 32.58 33.96 3dku s HIS 64 CO 0.83 -0.71 -0.08 0.12 -0.85 0.00 0.00 174.74 174.05 3dku s PHE 65 N -3.83 2.92 -0.18 1.40 5.36 -1.24 -1.06 117.98 121.35 3dku s PHE 65 Ca 0.05 -0.28 -0.15 0.00 -0.96 0.00 0.00 56.93 55.59 3dku s PHE 65 Cb 0.02 -1.82 -0.06 0.00 -0.34 0.00 0.00 43.02 40.81 3dku s PHE 65 CO -0.10 0.05 -0.25 -0.89 -1.46 0.00 0.00 175.22 172.57 3dku n ILE 66 N 3.03 1.48 -3.93 3.12 5.41 -0.13 -1.18 119.36 127.16 3dku n ILE 66 Ca -0.18 0.10 0.03 0.00 1.00 0.00 0.00 62.75 63.70 3dku n ILE 66 Cb 0.53 -2.30 0.01 0.00 -0.71 0.00 0.00 39.64 37.17 3dku n ILE 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3dku s ARG 67 N -2.59 0.34 -0.09 0.38 1.70 -1.16 -4.47 118.95 113.06 3dku s ARG 67 Ca -0.25 -0.22 -0.04 0.00 -0.47 0.00 0.00 55.73 54.76 3dku s ARG 67 Cb 0.05 0.10 -0.04 0.00 -0.57 0.00 0.00 34.95 34.49 3dku s ARG 67 CO 0.37 -0.16 0.07 1.41 -1.08 0.00 0.00 175.30 175.91 3dku s MET 68 N -2.07 3.17 -0.13 3.89 -2.45 -1.26 -0.51 119.30 119.94 3dku s MET 68 Ca 0.27 -0.31 -0.01 0.00 -1.25 0.00 0.00 55.69 54.39 3dku s MET 68 Cb 0.01 -2.96 -0.02 0.00 1.25 0.00 0.00 34.83 33.11 3dku s MET 68 CO -0.02 0.73 -0.10 -1.01 1.05 0.00 0.00 175.02 175.67 3dku s HIS 69 N -0.98 2.87 -0.25 4.11 3.76 -0.22 -4.96 115.29 119.63 3dku s HIS 69 Ca 0.15 -0.49 -0.12 0.00 -0.15 0.00 0.00 55.06 54.45 3dku s HIS 69 Cb -0.12 -1.86 -0.05 0.00 1.11 0.00 0.00 32.58 31.67 3dku s HIS 69 CO 0.04 -0.12 0.24 -1.14 -0.85 0.00 0.00 174.74 172.92 3dku s GLN 70 N 0.25 4.04 0.09 1.40 0.74 -1.26 -1.08 119.66 123.84 3dku s GLN 70 Ca -0.07 -0.16 -0.08 0.00 0.05 0.00 0.00 55.36 55.10 3dku s GLN 70 Cb -0.15 -3.60 -0.00 0.00 1.10 0.00 0.00 33.01 30.36 3dku s GLN 70 CO 0.05 -0.09 0.18 1.67 -0.55 0.00 0.00 175.29 176.54 3dku s TRP 71 N 1.50 0.19 -0.18 1.67 1.48 -0.39 -5.01 118.94 118.20 3dku s TRP 71 Ca 0.10 -0.62 -0.07 0.00 -1.06 0.00 0.00 56.10 54.45 3dku s TRP 71 Cb -0.15 -0.08 -0.04 0.00 -1.16 0.00 0.00 33.47 32.04 3dku s TRP 71 CO 0.08 -0.54 0.05 0.42 -4.06 0.00 0.00 176.95 172.90 3dku s ILE 72 N -3.87 4.63 0.71 0.66 1.01 -1.26 0.50 121.20 123.57 3dku s ILE 72 Ca 0.06 -0.09 -0.11 0.00 0.00 0.00 0.00 60.65 60.50 3dku s ILE 72 Cb 0.05 -3.08 0.02 0.00 0.01 0.00 0.00 42.46 39.45 3dku s ILE 72 CO -0.10 0.46 1.08 0.00 0.00 0.00 0.00 174.94 176.37 3dku s ALA 73 N 0.45 2.73 0.64 9.38 0.00 0.21 -4.88 121.76 130.29 3dku s ALA 73 Ca 0.02 -0.19 0.38 0.00 0.00 0.00 0.00 51.96 52.18 3dku s ALA 73 Cb -0.13 -3.08 2.15 0.00 0.00 0.00 0.00 23.12 22.06 3dku s ALA 73 CO 0.01 -1.22 2.29 -1.35 0.00 0.00 0.00 175.76 175.50 3dku h PRO 74 N -0.71 0.00 -0.97 0.00 0.11 -1.99 0.17 132.00 128.60 3dku h PRO 74 Ca -0.45 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.14 3dku h PRO 74 Cb 1.24 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 32.05 3dku h PRO 74 CO 0.61 0.00 0.65 -0.40 -0.21 0.00 0.00 178.00 178.65 3dku n ASP 75 N -3.35 4.14 0.00 -2.05 5.75 -1.26 -4.91 116.55 114.86 3dku n ASP 75 Ca -0.03 -3.64 0.00 0.00 -0.01 0.00 0.00 54.79 51.12 3dku n ASP 75 Cb 0.11 -0.85 0.00 0.00 -1.03 0.00 0.00 41.12 39.36 3dku n ASP 75 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3dku n LYS 76 N -1.12 -0.83 -2.00 0.11 4.76 0.58 -4.95 118.16 114.72 3dku n LYS 76 Ca 0.59 0.21 -0.42 0.00 -2.87 0.00 0.00 58.31 55.82 3dku n LYS 76 Cb 1.54 -4.31 -0.03 0.00 -1.84 0.00 0.00 35.03 30.39 3dku n LYS 76 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3dku s THR 77 N -1.45 3.53 -0.20 -0.18 2.01 -1.26 -4.67 115.64 113.42 3dku s THR 77 Ca 0.00 0.68 -0.23 0.00 0.31 0.00 0.00 61.69 62.45 3dku s THR 77 Cb 0.00 -3.44 -0.02 0.00 0.01 0.00 0.00 72.50 69.05 3dku s THR 77 CO 0.00 -0.05 0.71 -2.16 -0.69 0.00 0.00 174.62 172.43 3dku s PRO 78 N 3.90 4.23 -0.13 4.92 0.04 -1.26 0.65 135.00 147.34 3dku s PRO 78 Ca 0.74 0.77 -0.00 0.00 0.04 0.00 0.00 61.00 62.55 3dku s PRO 78 Cb -0.34 -3.59 -0.02 0.00 0.04 0.00 0.00 34.50 30.59 3dku s PRO 78 CO 0.30 -0.31 -0.11 -0.06 0.04 0.00 0.00 177.00 176.86 3dku s PHE 79 N 2.11 2.84 -0.35 0.56 0.08 0.18 -0.61 117.98 122.79 3dku s PHE 79 Ca 0.32 -0.54 -0.12 0.00 0.12 0.00 0.00 56.93 56.71 3dku s PHE 79 Cb -0.16 -1.85 0.00 0.00 -0.57 0.00 0.00 43.02 40.44 3dku s PHE 79 CO 0.11 -0.14 0.22 -0.51 -0.10 0.00 0.00 175.22 174.79 3dku s LEU 80 N 0.26 4.57 -0.31 -0.37 1.02 0.12 -1.26 118.68 122.70 3dku s LEU 80 Ca -0.08 -0.64 -0.01 0.00 0.02 0.00 0.00 54.13 53.42 3dku s LEU 80 Cb -0.15 -2.09 0.06 0.00 0.02 0.00 0.00 46.19 44.03 3dku s LEU 80 CO 0.05 -0.29 0.01 -0.60 0.02 0.00 0.00 176.35 175.54 3dku s ARG 81 N 1.66 2.30 -0.19 1.70 3.52 -0.24 0.08 118.95 127.77 3dku s ARG 81 Ca 0.05 -1.38 -0.23 0.00 -0.13 0.00 0.00 55.73 54.04 3dku s ARG 81 Cb -0.18 -3.19 -0.02 0.00 -1.56 0.00 0.00 34.95 30.00 3dku s ARG 81 CO 0.09 -0.68 0.73 -0.06 -0.81 0.00 0.00 175.30 174.56 3dku s PHE 82 N 1.20 3.39 -0.24 5.12 0.40 -0.65 -1.05 117.98 126.14 3dku s PHE 82 Ca -0.03 1.08 -0.07 0.00 -0.60 0.00 0.00 56.93 57.31 3dku s PHE 82 Cb -0.20 -2.91 -0.02 0.00 0.51 0.00 0.00 43.02 40.40 3dku s PHE 82 CO -0.02 -0.22 0.05 -1.17 0.70 0.00 0.00 175.22 174.55 3dku s LEU 83 N 2.09 3.34 0.35 -0.37 2.96 0.34 -0.17 118.68 127.22 3dku s LEU 83 Ca 0.33 -0.24 0.08 0.00 -0.22 0.00 0.00 54.13 54.08 3dku s LEU 83 Cb -0.16 -1.89 -0.05 0.00 0.50 0.00 0.00 46.19 44.59 3dku s LEU 83 CO 0.11 -0.03 0.08 -0.36 -1.32 0.00 0.00 176.35 174.83 3dku s PHE 84 N 1.59 2.61 -0.06 5.38 0.40 -0.20 -0.95 117.98 126.75 3dku s PHE 84 Ca 0.06 -0.45 0.06 0.00 -0.60 0.00 0.00 56.93 56.00 3dku s PHE 84 Cb -0.15 -1.62 -0.01 0.00 0.51 0.00 0.00 43.02 41.75 3dku s PHE 84 CO 0.02 0.39 -0.25 0.00 0.70 0.00 0.00 175.22 176.08 3dku s ALA 85 N -2.51 2.13 -0.11 5.36 0.00 -0.22 0.28 121.76 126.69 3dku s ALA 85 Ca 0.37 -1.03 -0.02 0.00 0.00 0.00 0.00 51.96 51.28 3dku s ALA 85 Cb 0.00 -0.66 0.04 0.00 0.00 0.00 0.00 23.12 22.49 3dku s ALA 85 CO 0.21 0.41 0.02 0.42 0.00 0.00 0.00 175.76 176.82 3dku s ILE 86 N -0.15 0.35 -0.04 0.00 1.01 0.24 -1.68 121.20 120.92 3dku s ILE 86 Ca -0.04 -0.06 -0.22 0.00 0.00 0.00 0.00 60.65 60.34 3dku s ILE 86 Cb -0.14 -0.64 -0.05 0.00 0.01 0.00 0.00 42.46 41.65 3dku s ILE 86 CO 0.04 0.09 0.63 -1.61 0.00 0.00 0.00 174.94 174.09 3dku s GLU 87 N 1.97 4.38 -0.06 2.79 0.41 -1.26 0.48 118.70 127.41 3dku s GLU 87 Ca 0.03 0.77 0.02 0.00 -0.41 0.00 0.00 54.97 55.38 3dku s GLU 87 Cb -0.14 -3.40 -0.03 0.00 -1.78 0.00 0.00 34.13 28.79 3dku s GLU 87 CO -0.06 0.22 -0.11 -0.51 -0.49 0.00 0.00 175.26 174.31 3dku s LEU 88 N 0.30 2.95 0.33 1.80 1.43 0.32 -4.94 118.68 120.87 3dku s LEU 88 Ca 0.33 -0.12 0.09 0.00 -1.03 0.00 0.00 54.13 53.41 3dku s LEU 88 Cb -0.18 -1.62 0.97 0.00 0.03 0.00 0.00 46.19 45.39 3dku s LEU 88 CO 0.17 0.34 1.54 -0.62 0.23 0.00 0.00 176.35 178.01 3dku n GLU 89 N 2.34 -0.07 -3.76 1.70 -0.58 -1.26 -4.47 120.64 114.54 3dku n GLU 89 Ca -0.18 1.42 -0.12 0.00 -0.42 0.00 0.00 57.16 57.86 3dku n GLU 89 Cb 0.53 -2.37 -0.08 0.00 -0.57 0.00 0.00 31.44 28.94 3dku n GLU 89 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3dku s GLN 90 N -5.79 0.74 0.27 3.49 -0.21 -1.26 -4.81 119.66 112.09 3dku s GLN 90 Ca -0.11 -0.35 -0.30 0.00 0.02 0.00 0.00 55.36 54.62 3dku s GLN 90 Cb 0.31 0.33 -0.11 0.00 1.00 0.00 0.00 33.01 34.53 3dku s GLN 90 CO 0.76 -0.22 1.58 0.42 -2.12 0.00 0.00 175.29 175.72 3dku s ILE 91 N -1.95 2.18 -0.02 1.08 1.01 -1.26 -4.94 121.20 117.30 3dku s ILE 91 Ca -0.09 0.15 -0.00 0.00 0.00 0.00 0.00 60.65 60.71 3dku s ILE 91 Cb -0.03 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.31 3dku s ILE 91 CO 0.00 0.02 0.04 0.00 0.00 0.00 0.00 174.94 175.01 3dku s PRO 93 N -1.50 2.44 0.07 0.00 0.02 -1.26 -5.03 135.00 129.74 3dku s PRO 93 Ca 0.20 1.69 0.04 0.00 0.02 0.00 0.00 61.00 62.95 3dku s PRO 93 Cb -0.12 -1.88 -0.03 0.00 0.02 0.00 0.00 34.50 32.50 3dku s PRO 93 CO 0.10 -1.59 -0.12 -0.08 -0.33 0.00 0.00 177.00 174.98 3dku s THR 94 N -2.00 0.98 -0.40 0.99 -1.32 -1.26 -4.83 115.64 107.79 3dku s THR 94 Ca 0.73 -1.34 0.05 0.00 -1.21 0.00 0.00 61.69 59.92 3dku s THR 94 Cb -0.27 -1.05 0.18 0.00 -1.51 0.00 0.00 72.50 69.85 3dku s THR 94 CO 0.42 -0.32 0.72 -1.58 -2.21 0.00 0.00 174.62 171.65 3dku s GLN 95 N -1.93 0.73 0.38 7.08 0.74 0.35 -5.01 119.66 122.00 3dku s GLN 95 Ca -0.02 -0.30 -0.27 0.00 0.05 0.00 0.00 55.36 54.82 3dku s GLN 95 Cb -0.09 0.07 -0.09 0.00 1.10 0.00 0.00 33.01 34.00 3dku s GLN 95 CO 0.02 -1.03 1.34 -2.14 -0.55 0.00 0.00 175.29 172.92 3dku s PRO 96 N 1.76 4.07 -0.48 1.67 0.02 -1.22 -2.82 135.00 138.00 3dku s PRO 96 Ca 0.17 2.25 0.03 0.00 0.02 0.00 0.00 61.00 63.48 3dku s PRO 96 Cb -0.02 -2.86 0.44 0.00 0.02 0.00 0.00 34.50 32.07 3dku s PRO 96 CO -0.08 -0.44 1.46 0.72 -0.33 0.00 0.00 177.00 178.33 3dku n HIS 97 N 0.33 3.04 -3.66 6.54 8.25 0.38 -4.90 115.22 125.20 3dku n HIS 97 Ca 0.02 -2.62 -0.07 0.00 -0.26 0.00 0.00 57.72 54.79 3dku n HIS 97 Cb 0.42 -0.63 -0.08 0.00 1.12 0.00 0.00 29.99 30.82 3dku n HIS 97 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3dku s ASP 98 N -2.89 -0.45 0.31 0.41 2.15 -1.20 -4.84 116.67 110.16 3dku s ASP 98 Ca 0.53 1.11 0.00 0.00 0.43 0.00 0.00 52.55 54.63 3dku s ASP 98 Cb 0.43 1.51 0.53 0.00 -0.30 0.00 0.00 42.92 45.09 3dku s ASP 98 CO -0.08 -0.23 1.93 -1.28 -0.17 0.00 0.00 175.17 175.34 3dku h SER 99 N 8.08 0.90 1.00 -0.34 0.87 -1.92 -2.14 113.55 119.99 3dku h SER 99 Ca -0.17 -0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.34 3dku h SER 99 Cb 1.11 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.87 3dku h SER 99 CO 0.12 0.59 -0.21 0.44 -0.53 0.00 0.00 176.83 177.24 3dku h ASP 100 N 1.03 0.00 -2.69 6.23 3.45 -1.96 -3.43 116.42 119.05 3dku h ASP 100 Ca 0.36 0.00 -0.56 0.00 0.43 0.00 0.00 57.03 57.26 3dku h ASP 100 Cb 0.13 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.88 3dku h ASP 100 CO -0.12 0.21 1.16 -0.63 -1.57 0.00 0.00 179.24 178.29 3dku s ILE 101 N -3.60 3.61 -0.10 0.35 -1.09 -0.81 -4.37 121.20 115.20 3dku s ILE 101 Ca 0.01 0.69 0.14 0.00 -2.23 0.00 0.00 60.65 59.25 3dku s ILE 101 Cb 0.10 -3.61 -0.03 0.00 -1.58 0.00 0.00 42.46 37.33 3dku s ILE 101 CO 0.64 -0.25 1.28 0.44 -1.23 0.00 0.00 174.94 175.81 3dku h ASP 102 N 10.97 0.00 -2.61 3.58 5.19 -0.78 -3.48 116.42 129.28 3dku h ASP 102 Ca -0.35 0.00 0.21 0.00 -0.62 0.00 0.00 57.03 56.27 3dku h ASP 102 Cb 1.16 0.00 -0.30 0.00 0.18 0.00 0.00 39.33 40.37 3dku h ASP 102 CO 0.99 0.62 0.90 0.00 -3.12 0.00 0.00 179.24 178.63 3dku s ARG 105 N -2.77 0.41 -0.49 0.00 3.52 0.65 -4.92 118.95 115.34 3dku s ARG 105 Ca 0.25 0.60 -0.22 0.00 -0.13 0.00 0.00 55.73 56.23 3dku s ARG 105 Cb -0.09 0.12 0.04 0.00 -1.56 0.00 0.00 34.95 33.46 3dku s ARG 105 CO 0.16 -0.09 0.77 -1.58 -0.81 0.00 0.00 175.30 173.74 3dku s TRP 106 N 0.61 2.96 0.16 5.12 0.52 -1.26 -1.17 118.94 125.88 3dku s TRP 106 Ca -0.03 -0.10 0.04 0.00 0.02 0.00 0.00 56.10 56.02 3dku s TRP 106 Cb -0.05 -3.70 -0.05 0.00 -1.15 0.00 0.00 33.47 28.52 3dku s TRP 106 CO -0.04 -1.09 -0.08 0.54 0.02 0.00 0.00 176.95 176.30 3dku s VAL 107 N 3.25 1.11 0.79 4.03 0.11 -0.47 -4.79 120.40 124.43 3dku s VAL 107 Ca 0.25 -2.05 -0.11 0.00 -2.93 0.00 0.00 61.98 57.14 3dku s VAL 107 Cb -0.14 -1.93 0.06 0.00 -1.53 0.00 0.00 36.38 32.84 3dku s VAL 107 CO 0.18 -0.68 1.09 -0.94 -3.33 0.00 0.00 175.10 171.43 3dku s SER 108 N -3.18 4.55 0.06 3.54 1.04 -1.26 0.91 113.70 119.35 3dku s SER 108 Ca 0.19 1.36 -0.24 0.00 0.48 0.00 0.00 55.95 57.74 3dku s SER 108 Cb 0.03 -2.11 -0.11 0.00 0.10 0.00 0.00 66.02 63.93 3dku s SER 108 CO 0.02 -1.94 1.37 0.00 0.98 0.00 0.00 173.24 173.66 3dku h ALA 109 N -1.07 -1.01 -0.42 5.32 0.00 -1.97 -1.81 119.26 118.31 3dku h ALA 109 Ca -0.47 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.39 3dku h ALA 109 Cb 1.26 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 19.62 3dku h ALA 109 CO 0.59 -1.03 0.28 1.05 0.00 0.00 0.00 179.25 180.14 3dku h GLU 110 N -0.66 0.26 -0.46 0.00 9.09 -1.97 0.18 114.58 121.02 3dku h GLU 110 Ca -0.04 -0.02 -0.11 0.00 0.05 0.00 0.00 59.36 59.24 3dku h GLU 110 Cb 0.57 -0.06 -0.02 0.00 -1.65 0.00 0.00 28.75 27.60 3dku h GLU 110 CO -0.05 0.17 -0.17 1.49 0.05 0.00 0.00 179.01 180.50 3dku h GLU 111 N 0.26 0.88 -0.59 1.06 4.81 -1.91 -2.02 114.58 117.06 3dku h GLU 111 Ca 0.19 -0.34 -0.09 0.00 -0.13 0.00 0.00 59.36 58.99 3dku h GLU 111 Cb 0.41 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 3dku h GLU 111 CO -0.04 0.98 0.02 0.82 -0.73 0.00 0.00 179.01 180.06 3dku h ILE 112 N 0.77 1.26 0.00 2.32 2.04 0.09 -3.13 117.51 120.86 3dku h ILE 112 Ca 0.12 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 64.86 3dku h ILE 112 Cb 0.70 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 3dku h ILE 112 CO 0.05 0.41 0.00 0.18 0.00 0.00 0.00 178.15 178.79 3dku n LEU 113 N -4.22 0.00 -0.01 1.44 4.77 0.35 -2.51 117.00 116.82 3dku n LEU 113 Ca 0.03 0.45 0.11 0.00 -0.03 0.00 0.00 56.01 56.57 3dku n LEU 113 Cb 0.33 -0.45 -0.15 0.00 -2.33 0.00 0.00 43.42 40.82 3dku n LEU 113 CO 0.44 -0.18 -0.58 0.00 -1.33 0.00 0.00 177.39 175.74 3dku n GLN 114 N -1.45 0.50 -2.92 3.23 3.00 -0.80 -5.01 117.38 113.93 3dku n GLN 114 Ca 0.05 -0.15 -0.40 0.00 -0.01 0.00 0.00 57.00 56.49 3dku n GLN 114 Cb 0.19 -1.52 -0.05 0.00 0.00 0.00 0.00 30.24 28.87 3dku n GLN 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3dku s ALA 115 N -3.39 3.34 -2.70 -1.58 0.00 -1.05 -4.98 121.76 111.40 3dku s ALA 115 Ca -0.04 0.35 0.22 0.00 0.00 0.00 0.00 51.96 52.50 3dku s ALA 115 Cb 0.14 -3.06 0.15 0.00 0.00 0.00 0.00 23.12 20.35 3dku s ALA 115 CO 0.90 0.04 1.19 0.43 0.00 0.00 0.00 175.76 178.32 3dku n SER 116 N 2.80 2.75 -2.30 0.00 7.64 -1.26 -4.51 113.62 118.74 3dku n SER 116 Ca -0.01 -1.88 -0.33 0.00 1.01 0.00 0.00 58.87 57.67 3dku n SER 116 Cb 0.50 0.07 0.06 0.00 -1.01 0.00 0.00 64.21 63.83 3dku n SER 116 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3dku n ASN 117 N 1.08 7.01 -4.91 6.43 6.94 -1.26 -4.99 115.26 125.56 3dku n ASN 117 Ca 0.13 -3.78 -0.32 0.00 -0.02 0.00 0.00 54.58 50.58 3dku n ASN 117 Cb 0.55 -0.83 -0.05 0.00 -2.36 0.00 0.00 39.78 37.09 3dku n ASN 117 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3dku s LEU 118 N -3.79 4.35 0.56 -4.53 1.43 -1.26 -0.43 118.68 115.01 3dku s LEU 118 Ca 0.61 0.40 0.25 0.00 -1.03 0.00 0.00 54.13 54.35 3dku s LEU 118 Cb 0.48 -2.87 1.53 0.00 0.03 0.00 0.00 46.19 45.36 3dku s LEU 118 CO -0.03 0.19 2.12 -0.09 0.23 0.00 0.00 176.35 178.78 3dku h ARG 119 N 3.42 0.00 -2.49 1.70 1.12 -1.59 -3.45 114.38 113.08 3dku h ARG 119 Ca -0.47 0.00 0.14 0.00 -1.11 0.00 0.00 59.98 58.54 3dku h ARG 119 Cb 1.18 0.00 -0.08 0.00 -0.01 0.00 0.00 29.97 31.05 3dku h ARG 119 CO 0.72 0.00 0.42 -1.54 -3.11 0.00 0.00 179.97 176.46 3dku s SER 120 N -6.29 -0.22 0.37 -3.80 1.04 -1.26 -5.00 113.70 98.54 3dku s SER 120 Ca -0.05 -0.40 0.24 0.00 0.48 0.00 0.00 55.95 56.22 3dku s SER 120 Cb 0.17 0.53 1.29 0.00 0.10 0.00 0.00 66.02 68.11 3dku s SER 120 CO 0.62 -0.97 1.72 -0.65 0.98 0.00 0.00 173.24 174.94 3dku h PRO 121 N 2.00 0.00 0.00 4.02 0.11 -2.02 -2.40 132.00 133.71 3dku h PRO 121 Ca -0.23 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.80 3dku h PRO 121 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3dku h PRO 121 CO 0.26 0.00 -0.39 -0.07 -0.21 0.00 0.00 178.00 177.59 3dku h LEU 122 N 0.00 0.00 0.87 2.35 3.38 -1.98 -2.66 115.31 117.27 3dku h LEU 122 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3dku h LEU 122 Cb 0.06 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.81 3dku h LEU 122 CO 0.00 0.39 -0.42 0.58 0.09 0.00 0.00 178.44 179.08 3dku h VAL 123 N 0.00 0.11 -0.85 1.22 2.07 -1.83 0.11 116.25 117.09 3dku h VAL 123 Ca -0.00 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.48 3dku h VAL 123 Cb 0.81 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 3dku h VAL 123 CO 0.05 0.00 0.56 0.00 0.02 0.00 0.00 177.57 178.20 3dku h ALA 124 N -1.12 1.40 -0.01 1.67 0.00 -1.74 -2.32 119.26 117.14 3dku h ALA 124 Ca -0.12 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3dku h ALA 124 Cb 0.91 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3dku h ALA 124 CO 0.20 0.55 -0.20 1.49 0.00 0.00 0.00 179.25 181.29 3dku h GLU 125 N 1.14 0.01 -0.44 0.00 4.22 -1.05 -1.94 114.58 116.52 3dku h GLU 125 Ca 0.31 -0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.71 3dku h GLU 125 Cb -0.12 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 3dku h GLU 125 CO -0.07 0.21 0.14 0.77 -2.18 0.00 0.00 179.01 177.88 3dku h SER 126 N 0.01 0.65 -0.26 1.04 0.02 -0.21 -1.07 113.55 113.73 3dku h SER 126 Ca 0.00 -0.21 0.05 0.00 -0.84 0.00 0.00 61.79 60.80 3dku h SER 126 Cb 0.36 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.68 3dku h SER 126 CO 0.03 0.68 -0.07 0.40 -1.14 0.00 0.00 176.83 176.73 3dku h ILE 127 N 0.57 0.74 -0.72 3.27 1.08 -1.35 0.22 117.51 121.32 3dku h ILE 127 Ca 0.14 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.77 3dku h ILE 127 Cb 0.27 0.74 -0.12 0.00 -3.07 0.00 0.00 36.82 34.64 3dku h ILE 127 CO -0.00 0.00 0.08 0.03 -0.69 0.00 0.00 178.15 177.57 3dku h ARG 128 N -0.00 0.17 -0.03 2.37 -0.00 -0.99 0.13 114.38 116.03 3dku h ARG 128 Ca 0.13 -0.01 -0.20 0.00 -0.50 0.00 0.00 59.98 59.39 3dku h ARG 128 Cb 0.19 -0.04 -0.00 0.00 0.00 0.00 0.00 29.97 30.12 3dku h ARG 128 CO -0.27 0.11 -0.85 0.00 0.00 0.00 0.00 179.97 178.96 3dku h TYR 130 N 0.23 0.68 0.00 0.00 3.20 -0.05 -2.98 116.97 118.04 3dku h TYR 130 Ca -0.05 -0.12 -0.10 0.00 3.14 0.00 0.00 58.73 61.60 3dku h TYR 130 Cb 1.46 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.54 3dku h TYR 130 CO 0.05 0.74 -0.45 1.96 -1.64 0.00 0.00 178.16 178.82 3dku h GLN 131 N 0.42 0.00 0.00 1.82 4.20 -0.51 -0.83 115.11 120.21 3dku h GLN 131 Ca 0.09 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 3dku h GLN 131 Cb 0.48 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 3dku h GLN 131 CO 0.02 0.45 -0.03 0.66 -0.67 0.00 0.00 178.83 179.26 3dku h SER 132 N 0.00 0.00 0.00 1.46 4.64 -1.01 -3.46 113.55 115.18 3dku h SER 132 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dku h SER 132 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 3dku h SER 132 CO 0.06 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 3dku n GLY 133 N -0.70 2.50 3.77 -0.77 0.00 -0.32 -5.00 105.19 104.68 3dku n GLY 133 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 3dku n GLY 133 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3dku s GLN 134 N -0.01 4.30 0.17 1.61 2.00 -1.26 -5.04 119.66 121.44 3dku s GLN 134 Ca 0.00 2.18 -0.08 0.00 -2.00 0.00 0.00 55.36 55.46 3dku s GLN 134 Cb 0.00 -3.02 -0.02 0.00 0.80 0.00 0.00 33.01 30.78 3dku s GLN 134 CO 0.00 -0.22 0.26 1.03 -0.50 0.00 0.00 175.29 175.86 3dku s ARG 135 N -1.86 1.18 -0.02 1.67 1.81 -1.26 -4.74 118.95 115.72 3dku s ARG 135 Ca 0.50 -1.27 -0.04 0.00 -1.72 0.00 0.00 55.73 53.21 3dku s ARG 135 Cb -0.39 0.36 0.00 0.00 -0.45 0.00 0.00 34.95 34.48 3dku s ARG 135 CO 0.51 -0.43 0.09 0.71 -0.68 0.00 0.00 175.30 175.51 3dku s TYR 136 N -4.00 -0.03 0.04 -0.53 2.02 -0.32 -5.01 117.35 109.51 3dku s TYR 136 Ca 0.21 0.08 -0.35 0.00 -0.37 0.00 0.00 57.07 56.64 3dku s TYR 136 Cb 0.04 -0.01 -0.14 0.00 -0.40 0.00 0.00 41.96 41.45 3dku s TYR 136 CO 0.03 -0.12 1.63 -2.30 -1.57 0.00 0.00 175.55 173.22 3dku n PRO 137 N 2.49 1.88 -0.27 -1.71 -0.02 -1.26 -3.60 135.00 132.51 3dku n PRO 137 Ca -0.16 0.68 0.22 0.00 -2.02 0.00 0.00 63.50 62.23 3dku n PRO 137 Cb 0.58 -2.44 0.55 0.00 -0.02 0.00 0.00 33.50 32.17 3dku n PRO 137 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3dku h LEU 138 N 6.69 0.35 0.00 2.45 3.38 -1.92 -1.01 115.31 125.24 3dku h LEU 138 Ca -0.47 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.55 3dku h LEU 138 Cb 1.28 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3dku h LEU 138 CO 0.89 0.11 0.00 -1.84 0.09 0.00 0.00 178.44 177.69 3dku n GLU 139 N -4.50 0.37 -0.00 1.13 0.28 -1.26 -2.78 120.64 113.88 3dku n GLU 139 Ca 0.22 0.02 0.10 0.00 -0.16 0.00 0.00 57.16 57.34 3dku n GLU 139 Cb 0.83 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 32.06 3dku n GLU 139 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 3dku n MET 140 N -1.04 0.44 -0.87 3.44 2.81 -0.38 -3.19 117.12 118.33 3dku n MET 140 Ca 0.09 -0.10 -0.06 0.00 -1.81 0.00 0.00 57.70 55.83 3dku n MET 140 Cb 0.05 -1.48 0.24 0.00 -0.71 0.00 0.00 33.22 31.32 3dku n MET 140 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 3dku n ILE 141 N -1.86 2.72 -2.15 2.02 -5.35 -1.12 -5.07 119.36 108.56 3dku n ILE 141 Ca -0.00 -2.12 -0.27 0.00 -0.27 0.00 0.00 62.75 60.09 3dku n ILE 141 Cb 0.44 -0.34 0.06 0.00 -1.74 0.00 0.00 39.64 38.05 3dku n ILE 141 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3dku s GLY 142 N -1.79 1.65 0.79 3.28 0.00 -1.19 -4.86 107.32 105.20 3dku s GLY 142 Ca 0.49 -0.78 -0.14 0.00 0.00 0.00 0.00 44.72 44.29 3dku s GLY 142 CO 0.07 -0.38 1.04 1.34 0.00 0.00 0.00 173.10 175.17 3dku n ASP 143 N -2.95 0.54 -3.53 1.64 4.64 -1.26 -5.07 116.55 110.56 3dku n ASP 143 Ca 0.07 0.59 -0.23 0.00 -1.38 0.00 0.00 54.79 53.85 3dku n ASP 143 Cb 0.60 -1.44 -0.14 0.00 -1.04 0.00 0.00 41.12 39.09 3dku n ASP 143 CO 0.00 0.00 0.00 0.12 -0.82 0.00 0.00 177.20 176.50 3dku s PHE 144 N -2.03 -0.03 -0.27 -0.67 5.36 -1.26 -5.02 117.98 114.06 3dku s PHE 144 Ca 0.72 -0.19 -0.09 0.00 -0.96 0.00 0.00 56.93 56.41 3dku s PHE 144 Cb -0.30 -0.58 0.01 0.00 -0.34 0.00 0.00 43.02 41.81 3dku s PHE 144 CO 0.52 -0.63 0.33 -1.71 -1.46 0.00 0.00 175.22 172.26 3dku n ASN 145 N 5.29 -6.05 -3.23 6.13 5.15 -1.26 -5.05 115.26 116.24 3dku n ASN 145 Ca -0.06 0.49 -0.30 0.00 -0.60 0.00 0.00 54.58 54.11 3dku n ASN 145 Cb 0.48 -3.97 0.29 0.00 -0.53 0.00 0.00 39.78 36.04 3dku n ASN 145 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 3dku n TRP 146 N -0.20 -3.75 0.00 1.20 5.03 -1.26 -5.32 117.44 113.14 3dku n TRP 146 Ca 0.07 -0.78 0.00 0.00 3.03 0.00 0.00 57.50 59.82 3dku n TRP 146 Cb 0.25 -1.26 0.00 0.00 -1.03 0.00 0.00 31.31 29.27 3dku n TRP 146 CO 0.00 0.00 0.00 -2.30 -0.03 0.00 0.00 177.69 175.36