#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dku n PHE 2 N 0.00 1.84 -3.71 2.03 7.35 -1.26 -5.03 117.46 118.68 3dku n PHE 2 Ca 0.00 0.50 -0.14 0.00 -0.76 0.00 0.00 57.45 57.04 3dku n PHE 2 Cb 0.00 -2.41 -0.14 0.00 0.35 0.00 0.00 39.48 37.28 3dku n PHE 2 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 3dku s LYS 3 N 0.12 0.09 0.79 -4.13 1.02 -1.26 -5.16 119.74 111.21 3dku s LYS 3 Ca 0.76 0.49 -0.11 0.00 0.02 0.00 0.00 55.97 57.12 3dku s LYS 3 Cb -0.77 -0.19 0.06 0.00 -0.52 0.00 0.00 37.83 36.41 3dku s LYS 3 CO 0.47 -0.22 1.09 -1.25 -0.92 0.00 0.00 175.35 174.51 3dku s PRO 4 N 1.66 2.16 0.23 -1.68 0.04 -1.26 -5.02 135.00 131.13 3dku s PRO 4 Ca -0.04 0.72 -0.30 0.00 0.04 0.00 0.00 61.00 61.42 3dku s PRO 4 Cb -0.12 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.42 3dku s PRO 4 CO -0.06 -1.59 0.95 -1.01 0.04 0.00 0.00 177.00 175.32 3dku s HIS 5 N -3.11 3.96 -0.14 0.56 3.76 0.39 -4.97 115.29 115.74 3dku s HIS 5 Ca 0.61 1.90 -0.02 0.00 -0.15 0.00 0.00 55.06 57.40 3dku s HIS 5 Cb -0.15 -3.00 -0.02 0.00 1.11 0.00 0.00 32.58 30.53 3dku s HIS 5 CO 0.55 0.40 -0.09 0.08 -0.85 0.00 0.00 174.74 174.83 3dku s VAL 6 N -1.09 3.45 0.14 -0.90 1.01 -1.26 -2.06 120.40 119.69 3dku s VAL 6 Ca 0.42 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.93 3dku s VAL 6 Cb -0.26 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 3dku s VAL 6 CO 0.32 0.51 -0.11 0.42 0.00 0.00 0.00 175.10 176.24 3dku s THR 7 N 0.38 1.23 0.09 3.92 -4.23 -0.79 -1.52 115.64 114.71 3dku s THR 7 Ca -0.07 -1.94 0.07 0.00 -1.18 0.00 0.00 61.69 58.56 3dku s THR 7 Cb -0.15 -1.73 -0.03 0.00 1.34 0.00 0.00 72.50 71.93 3dku s THR 7 CO 0.04 -0.63 -0.18 0.68 -0.54 0.00 0.00 174.62 173.99 3dku s VAL 8 N -2.91 1.43 0.04 2.29 -7.23 -0.08 -0.13 120.40 113.81 3dku s VAL 8 Ca 0.14 -1.45 -0.06 0.00 -1.81 0.00 0.00 61.98 58.81 3dku s VAL 8 Cb -0.00 -1.34 -0.01 0.00 0.56 0.00 0.00 36.38 35.59 3dku s VAL 8 CO 0.02 -0.15 0.10 0.00 -0.31 0.00 0.00 175.10 174.76 3dku s ALA 9 N -1.26 -0.06 -0.06 1.32 0.00 0.00 -0.92 121.76 120.78 3dku s ALA 9 Ca 0.03 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 51.44 3dku s ALA 9 Cb -0.10 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.30 3dku s ALA 9 CO 0.03 -0.34 -0.16 0.00 0.00 0.00 0.00 175.76 175.29 3dku s VAL 11 N 0.33 4.87 -0.17 0.00 1.01 -0.21 -4.03 120.40 122.20 3dku s VAL 11 Ca -0.10 0.28 -0.05 0.00 0.00 0.00 0.00 61.98 62.11 3dku s VAL 11 Cb -0.14 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 3dku s VAL 11 CO 0.04 -0.46 -0.01 -0.69 0.00 0.00 0.00 175.10 173.97 3dku s VAL 12 N 2.72 4.00 -0.06 2.92 1.01 -1.26 -0.96 120.40 128.77 3dku s VAL 12 Ca 0.22 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.91 3dku s VAL 12 Cb -0.14 -2.78 0.02 0.00 0.00 0.00 0.00 36.38 33.47 3dku s VAL 12 CO 0.17 0.47 -0.10 -2.28 0.00 0.00 0.00 175.10 173.36 3dku s HIS 13 N 0.60 1.23 -0.18 5.22 5.04 -0.51 -0.23 115.29 126.45 3dku s HIS 13 Ca -0.01 -0.43 -0.19 0.00 -1.54 0.00 0.00 55.06 52.88 3dku s HIS 13 Cb -0.14 -0.94 0.05 0.00 0.04 0.00 0.00 32.58 31.59 3dku s HIS 13 CO 0.02 -0.25 0.54 0.00 -2.34 0.00 0.00 174.74 172.71 3dku s ALA 14 N 0.74 -1.33 -1.40 1.58 0.00 0.14 -1.12 121.76 120.36 3dku s ALA 14 Ca -0.14 1.43 -0.10 0.00 0.00 0.00 0.00 51.96 53.15 3dku s ALA 14 Cb -0.15 -0.75 0.01 0.00 0.00 0.00 0.00 23.12 22.22 3dku s ALA 14 CO 0.03 -0.26 0.33 0.39 0.00 0.00 0.00 175.76 176.24 3dku n GLU 15 N 2.54 -1.37 -1.20 0.00 1.02 -1.26 -0.05 120.64 120.31 3dku n GLU 15 Ca -0.14 0.19 -0.07 0.00 -0.02 0.00 0.00 57.16 57.12 3dku n GLU 15 Cb 0.56 -3.61 -0.03 0.00 -0.02 0.00 0.00 31.44 28.34 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 -2.25 0.87 3.17 0.62 0.00 -1.26 -4.97 105.19 101.37 3dku n GLY 16 Ca -0.25 -0.40 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 3dku n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dku s LYS 17 N -2.26 0.82 -0.11 1.61 3.01 0.92 -4.69 119.74 119.05 3dku s LYS 17 Ca 0.00 -1.20 0.03 0.00 -1.01 0.00 0.00 55.97 53.79 3dku s LYS 17 Cb 0.00 -0.39 -0.00 0.00 -1.01 0.00 0.00 37.83 36.43 3dku s LYS 17 CO 0.00 0.04 -0.22 -0.06 0.51 0.00 0.00 175.35 175.62 3dku s PHE 18 N -2.82 2.61 0.12 3.18 0.08 0.77 -0.69 117.98 121.23 3dku s PHE 18 Ca 0.07 -1.01 -0.31 0.00 0.12 0.00 0.00 56.93 55.80 3dku s PHE 18 Cb -0.00 -1.74 -0.08 0.00 -0.57 0.00 0.00 43.02 40.63 3dku s PHE 18 CO -0.02 -0.41 1.34 -1.17 -0.10 0.00 0.00 175.22 174.87 3dku s LEU 19 N 0.39 4.38 0.01 -0.37 2.96 0.68 -1.66 118.68 125.06 3dku s LEU 19 Ca -0.17 2.28 0.01 0.00 -0.22 0.00 0.00 54.13 56.04 3dku s LEU 19 Cb -0.17 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 42.92 3dku s LEU 19 CO 0.08 -0.60 -0.04 0.54 -1.32 0.00 0.00 176.35 175.00 3dku s VAL 20 N 0.93 0.33 -0.05 1.68 0.11 -0.15 -4.52 120.40 118.73 3dku s VAL 20 Ca 0.62 -0.37 0.01 0.00 -2.93 0.00 0.00 61.98 59.31 3dku s VAL 20 Cb -0.35 -0.32 -0.03 0.00 -1.53 0.00 0.00 36.38 34.14 3dku s VAL 20 CO 0.31 -0.03 -0.06 0.68 -3.33 0.00 0.00 175.10 172.67 3dku s VAL 21 N -0.40 3.73 -0.18 2.04 -7.23 0.15 -1.64 120.40 116.87 3dku s VAL 21 Ca -0.02 -0.53 -0.16 0.00 -1.81 0.00 0.00 61.98 59.47 3dku s VAL 21 Cb -0.04 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 3dku s VAL 21 CO -0.00 0.55 0.39 -1.61 -0.31 0.00 0.00 175.10 174.13 3dku s GLU 22 N -0.95 4.21 0.12 4.82 2.02 -0.44 -1.38 118.70 127.11 3dku s GLU 22 Ca 0.14 0.22 0.06 0.00 0.02 0.00 0.00 54.97 55.41 3dku s GLU 22 Cb -0.11 -3.50 -0.04 0.00 0.10 0.00 0.00 34.13 30.58 3dku s GLU 22 CO 0.03 0.03 -0.15 -2.00 0.02 0.00 0.00 175.26 173.19 3dku s GLU 23 N 1.08 1.05 -0.18 1.61 2.12 0.15 -1.23 118.70 123.30 3dku s GLU 23 Ca 0.20 -1.23 -0.04 0.00 0.36 0.00 0.00 54.97 54.26 3dku s GLU 23 Cb -0.14 -1.01 -0.03 0.00 0.26 0.00 0.00 34.13 33.21 3dku s GLU 23 CO 0.08 0.20 -0.02 0.99 -0.54 0.00 0.00 175.26 175.97 3dku s THR 24 N -1.94 3.93 0.00 -1.70 2.01 -1.25 0.84 115.64 117.53 3dku s THR 24 Ca 0.08 -0.33 0.00 0.00 0.31 0.00 0.00 61.69 61.75 3dku s THR 24 Cb -0.06 -2.75 0.00 0.00 0.01 0.00 0.00 72.50 69.70 3dku s THR 24 CO 0.04 0.46 0.00 -0.38 -0.69 0.00 0.00 174.62 174.05 3dku n ILE 25 N 3.86 0.00 -1.65 1.82 2.08 -0.18 -4.81 119.36 120.48 3dku n ILE 25 Ca -0.17 0.00 -0.36 0.00 0.56 0.00 0.00 62.75 62.78 3dku n ILE 25 Cb 0.52 -0.05 -0.03 0.00 -0.75 0.00 0.00 39.64 39.33 3dku n ILE 25 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 3dku n ASN 26 N 0.00 7.90 -0.33 4.38 5.15 -1.26 -4.52 115.26 126.59 3dku n ASN 26 Ca 0.00 -2.92 -0.04 0.00 -0.60 0.00 0.00 54.58 51.02 3dku n ASN 26 Cb 0.00 -1.41 -0.02 0.00 -0.53 0.00 0.00 39.78 37.82 3dku n ASN 26 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dku n GLY 27 N 2.26 0.51 3.50 8.20 0.00 -1.26 -5.01 105.19 113.40 3dku n GLY 27 Ca 0.65 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.05 1.80 -0.38 1.61 1.02 -1.26 -5.11 119.74 115.37 3dku s LYS 28 Ca 0.00 -1.43 -0.21 0.00 0.02 0.00 0.00 55.97 54.35 3dku s LYS 28 Cb 0.00 -1.99 0.01 0.00 -0.52 0.00 0.00 37.83 35.33 3dku s LYS 28 CO 0.00 0.41 0.68 0.00 -0.92 0.00 0.00 175.35 175.51 3dku s ALA 29 N -1.79 3.42 -0.08 5.17 0.00 -1.26 -1.01 121.76 126.21 3dku s ALA 29 Ca 0.24 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.33 3dku s ALA 29 Cb -0.08 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 3dku s ALA 29 CO 0.13 -1.50 -0.14 -0.51 0.00 0.00 0.00 175.76 173.74 3dku s LEU 30 N 2.85 2.72 0.01 0.00 2.01 0.25 -4.82 118.68 121.69 3dku s LEU 30 Ca 0.26 -0.25 -0.16 0.00 0.01 0.00 0.00 54.13 53.99 3dku s LEU 30 Cb -0.14 -1.57 -0.06 0.00 0.01 0.00 0.00 46.19 44.43 3dku s LEU 30 CO 0.17 0.28 0.46 0.26 1.01 0.00 0.00 176.35 178.53 3dku s TRP 31 N -0.34 3.74 0.14 0.29 0.51 0.10 0.35 118.94 123.73 3dku s TRP 31 Ca 0.03 1.07 -0.09 0.00 -2.12 0.00 0.00 56.10 54.99 3dku s TRP 31 Cb -0.13 -2.37 -0.01 0.00 -0.81 0.00 0.00 33.47 30.16 3dku s TRP 31 CO 0.02 0.59 0.24 1.21 -0.51 0.00 0.00 176.95 178.51 3dku s ASN 32 N -0.96 0.08 0.78 2.95 2.47 -0.48 -0.15 114.94 119.63 3dku s ASN 32 Ca 0.25 -0.81 -0.13 0.00 0.42 0.00 0.00 52.86 52.60 3dku s ASN 32 Cb -0.17 0.40 0.06 0.00 -1.45 0.00 0.00 41.25 40.09 3dku s ASN 32 CO 0.15 -0.83 1.15 -1.10 -3.72 0.00 0.00 177.10 172.75 3dku s GLN 33 N -3.93 1.97 -0.12 0.43 1.11 -1.26 0.32 119.66 118.18 3dku s GLN 33 Ca 0.13 1.52 -0.35 0.00 0.01 0.00 0.00 55.36 56.68 3dku s GLN 33 Cb 0.04 -1.84 -0.12 0.00 -1.01 0.00 0.00 33.01 30.08 3dku s GLN 33 CO -0.04 -1.91 1.89 -2.30 0.01 0.00 0.00 175.29 172.94 3dku n PRO 34 N -3.24 2.05 -3.94 2.91 -0.02 -1.26 -4.66 135.00 126.85 3dku n PRO 34 Ca 0.12 0.74 -0.10 0.00 -2.02 0.00 0.00 63.50 62.24 3dku n PRO 34 Cb 0.52 -2.60 -0.10 0.00 -0.02 0.00 0.00 33.50 31.29 3dku n PRO 34 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dku s ALA 35 N 4.25 -0.05 0.13 3.55 0.00 -1.26 -1.97 121.76 126.41 3dku s ALA 35 Ca 0.94 -0.47 -0.24 0.00 0.00 0.00 0.00 51.96 52.19 3dku s ALA 35 Cb -0.73 0.17 0.08 0.00 0.00 0.00 0.00 23.12 22.65 3dku s ALA 35 CO 0.53 -0.23 1.11 0.20 0.00 0.00 0.00 175.76 177.37 3dku s GLY 36 N -1.70 0.05 -0.10 0.00 0.00 -0.10 -4.91 107.32 100.57 3dku s GLY 36 Ca -0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 44.72 44.35 3dku s GLY 36 CO -0.02 3.43 -0.01 0.30 0.00 0.00 0.00 173.10 176.81 3dku s HIS 37 N -2.11 3.12 0.29 1.90 3.76 -1.26 -0.90 115.29 120.09 3dku s HIS 37 Ca 0.24 0.10 -0.29 0.00 -0.15 0.00 0.00 55.06 54.96 3dku s HIS 37 Cb -0.02 -1.81 -0.10 0.00 1.11 0.00 0.00 32.58 31.76 3dku s HIS 37 CO 0.04 0.37 1.30 -1.17 -0.85 0.00 0.00 174.74 174.43 3dku s LEU 38 N -0.65 4.43 0.50 0.89 2.96 -0.58 -4.91 118.68 121.32 3dku s LEU 38 Ca 0.10 2.59 0.04 0.00 -0.22 0.00 0.00 54.13 56.64 3dku s LEU 38 Cb -0.12 -3.64 -0.00 0.00 0.50 0.00 0.00 46.19 42.93 3dku s LEU 38 CO 0.02 -0.51 0.19 -1.61 -1.32 0.00 0.00 176.35 173.12 3dku s GLU 39 N -1.28 2.22 0.38 1.98 2.02 -1.26 -4.87 118.70 117.88 3dku s GLU 39 Ca 0.51 -2.15 -0.25 0.00 0.02 0.00 0.00 54.97 53.10 3dku s GLU 39 Cb -0.39 -1.83 -0.12 0.00 0.10 0.00 0.00 34.13 31.89 3dku s GLU 39 CO 0.48 -0.41 0.95 0.00 0.02 0.00 0.00 175.26 176.30 3dku n ALA 40 N -1.44 -0.18 -3.47 5.21 0.00 -1.26 -3.06 120.51 116.31 3dku n ALA 40 Ca -0.09 0.27 -0.11 0.00 0.00 0.00 0.00 53.44 53.51 3dku n ALA 40 Cb 0.66 -2.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.08 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 0.83 -0.51 -4.10 0.00 5.68 -1.26 -4.90 116.55 112.29 3dku n ASP 41 Ca 0.10 -0.34 -0.18 0.00 -0.50 0.00 0.00 54.79 53.86 3dku n ASP 41 Cb 0.37 -0.41 -0.13 0.00 -1.14 0.00 0.00 41.12 39.80 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 -5.02 0.80 0.37 0.11 2.12 -1.17 -5.17 118.70 110.73 3dku s GLU 42 Ca 0.08 -0.68 -0.07 0.00 0.36 0.00 0.00 54.97 54.66 3dku s GLU 42 Cb -0.04 -0.76 -0.05 0.00 0.26 0.00 0.00 34.13 33.53 3dku s GLU 42 CO 0.26 0.19 0.68 -0.08 -0.54 0.00 0.00 175.26 175.76 3dku s THR 43 N -0.83 4.91 0.13 -1.70 -1.32 -1.26 -4.77 115.64 110.79 3dku s THR 43 Ca -0.00 0.31 -0.23 0.00 -1.21 0.00 0.00 61.69 60.55 3dku s THR 43 Cb -0.07 -3.75 -0.03 0.00 -1.51 0.00 0.00 72.50 67.13 3dku s THR 43 CO 0.01 -0.48 1.66 -0.07 -2.21 0.00 0.00 174.62 173.53 3dku h LEU 44 N 1.29 -0.54 -1.28 9.08 3.38 -1.98 -0.20 115.31 125.05 3dku h LEU 44 Ca -0.47 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 3dku h LEU 44 Cb 1.19 0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.16 3dku h LEU 44 CO 0.64 -0.23 0.12 -0.37 0.09 0.00 0.00 178.44 178.70 3dku h VAL 45 N -0.25 1.18 -0.35 1.22 -1.51 -1.95 -1.68 116.25 112.91 3dku h VAL 45 Ca 0.08 -0.62 -0.05 0.00 -1.23 0.00 0.00 66.70 64.88 3dku h VAL 45 Cb 0.36 0.73 -0.02 0.00 -2.13 0.00 0.00 31.29 30.23 3dku h VAL 45 CO -0.23 0.23 -0.01 -0.33 -1.23 0.00 0.00 177.57 176.00 3dku h GLU 46 N 0.60 0.55 -0.13 5.19 5.08 -1.71 -0.47 114.58 123.69 3dku h GLU 46 Ca 0.14 -0.12 -0.21 0.00 -1.00 0.00 0.00 59.36 58.17 3dku h GLU 46 Cb 0.20 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.38 3dku h GLU 46 CO -0.01 0.58 -0.77 0.00 -1.00 0.00 0.00 179.01 177.82 3dku h ALA 47 N 1.47 0.40 0.20 3.43 0.00 -0.18 0.15 119.26 124.73 3dku h ALA 47 Ca 0.11 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 3dku h ALA 47 Cb 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3dku h ALA 47 CO 0.01 0.71 -0.10 0.00 0.00 0.00 0.00 179.25 179.88 3dku h ALA 48 N 0.68 -0.27 -0.67 0.00 0.00 -0.94 0.33 119.26 118.37 3dku h ALA 48 Ca -0.05 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3dku h ALA 48 Cb 1.38 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.24 3dku h ALA 48 CO 0.15 -0.64 0.43 0.00 0.00 0.00 0.00 179.25 179.19 3dku h ALA 49 N 0.49 0.87 0.55 0.00 0.00 -1.07 0.26 119.26 120.37 3dku h ALA 49 Ca -0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3dku h ALA 49 Cb 0.23 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.79 3dku h ALA 49 CO 0.05 0.22 -0.27 -0.09 0.00 0.00 0.00 179.25 179.16 3dku h ARG 50 N 0.85 -0.72 -0.10 0.00 2.43 -0.55 -0.58 114.38 115.72 3dku h ARG 50 Ca 0.26 0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.52 3dku h ARG 50 Cb -0.02 0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.64 3dku h ARG 50 CO -0.09 -0.46 -0.22 0.93 -1.51 0.00 0.00 179.97 178.62 3dku h GLU 51 N -0.78 -0.29 -0.42 0.20 4.39 -0.21 0.98 114.58 118.45 3dku h GLU 51 Ca -0.08 0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.73 3dku h GLU 51 Cb 0.59 0.06 -0.09 0.00 -0.10 0.00 0.00 28.75 29.22 3dku h GLU 51 CO 0.13 -0.19 -0.16 1.25 -1.16 0.00 0.00 179.01 178.88 3dku h LEU 52 N -0.30 -0.55 0.27 1.33 5.85 -0.48 0.44 115.31 121.88 3dku h LEU 52 Ca 0.09 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 3dku h LEU 52 Cb 0.43 0.32 -0.00 0.00 0.37 0.00 0.00 40.66 41.78 3dku h LEU 52 CO -0.27 -0.19 -0.15 -0.25 -0.34 0.00 0.00 178.44 177.24 3dku h TRP 53 N -0.07 -0.39 -0.06 1.25 7.01 -0.82 -0.81 115.95 122.07 3dku h TRP 53 Ca 0.21 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.22 3dku h TRP 53 Cb 0.38 0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 27.57 3dku h TRP 53 CO -0.41 -0.24 0.16 0.93 -2.79 0.00 0.00 178.44 176.09 3dku h GLU 54 N -0.39 0.00 0.00 2.65 5.08 0.45 0.13 114.58 122.50 3dku h GLU 54 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3dku h GLU 54 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3dku h GLU 54 CO 0.04 0.00 -0.81 0.39 -1.00 0.00 0.00 179.01 177.63 3dku n GLU 55 N -3.29 2.08 0.00 2.33 1.02 0.02 -2.61 120.64 120.20 3dku n GLU 55 Ca -0.01 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 3dku n GLU 55 Cb 0.24 -0.94 0.00 0.00 -0.02 0.00 0.00 31.44 30.73 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 -1.43 0.00 -0.32 2.62 -2.24 -0.34 -4.29 114.28 108.28 3dku n THR 56 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3dku n THR 56 Cb 0.07 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 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 2.01 1.86 3.80 3.38 0.00 0.44 0.11 105.19 116.78 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 -3.14 4.34 -0.33 -0.61 -4.36 -1.26 -4.86 121.20 110.98 3dku s ILE 58 Ca 0.00 1.62 -0.04 0.00 -0.26 0.00 0.00 60.65 61.98 3dku s ILE 58 Cb 0.00 -3.92 0.06 0.00 1.25 0.00 0.00 42.46 39.85 3dku s ILE 58 CO 0.00 0.11 0.08 -0.94 0.24 0.00 0.00 174.94 174.42 3dku s SER 59 N -1.70 5.12 -0.09 4.36 1.04 -1.26 -3.27 113.70 117.91 3dku s SER 59 Ca 0.49 -1.35 -0.17 0.00 0.48 0.00 0.00 55.95 55.41 3dku s SER 59 Cb -0.17 -1.79 0.04 0.00 0.10 0.00 0.00 66.02 64.19 3dku s SER 59 CO 0.22 -0.34 0.42 0.00 0.98 0.00 0.00 173.24 174.52 3dku s ALA 60 N 1.29 -1.05 0.28 5.32 0.00 -1.26 -5.11 121.76 121.24 3dku s ALA 60 Ca -0.02 0.89 -0.20 0.00 0.00 0.00 0.00 51.96 52.63 3dku s ALA 60 Cb -0.20 -0.32 -0.09 0.00 0.00 0.00 0.00 23.12 22.51 3dku s ALA 60 CO -0.00 -0.25 0.79 -0.65 0.00 0.00 0.00 175.76 175.65 3dku s GLN 61 N -0.55 4.26 0.56 0.00 -1.52 -1.26 -4.57 119.66 116.58 3dku s GLN 61 Ca -0.07 0.94 -0.20 0.00 -1.95 0.00 0.00 55.36 54.08 3dku s GLN 61 Cb -0.03 -2.71 -0.06 0.00 -0.22 0.00 0.00 33.01 29.99 3dku s GLN 61 CO 0.03 0.28 1.06 -2.30 -0.25 0.00 0.00 175.29 174.12 3dku n PRO 62 N 0.34 1.14 -0.08 2.91 -0.02 -1.26 -4.89 135.00 133.14 3dku n PRO 62 Ca 0.01 0.43 -0.15 0.00 -2.02 0.00 0.00 63.50 61.76 3dku n PRO 62 Cb 0.52 -2.24 -0.05 0.00 -0.02 0.00 0.00 33.50 31.70 3dku n PRO 62 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3dku n GLN 63 N -0.85 0.36 -4.26 -0.52 6.02 -0.70 -5.03 117.38 112.41 3dku n GLN 63 Ca 0.12 0.16 -0.14 0.00 -0.01 0.00 0.00 57.00 57.13 3dku n GLN 63 Cb 0.45 -1.12 -0.10 0.00 1.02 0.00 0.00 30.24 30.49 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 -2.39 1.29 -0.19 1.08 3.76 -1.14 -4.55 115.29 113.15 3dku s HIS 64 Ca -0.23 -0.98 -0.08 0.00 -0.15 0.00 0.00 55.06 53.62 3dku s HIS 64 Cb 0.08 -0.73 -0.04 0.00 1.11 0.00 0.00 32.58 32.99 3dku s HIS 64 CO 0.30 -0.15 0.08 0.12 -0.85 0.00 0.00 174.74 174.25 3dku s PHE 65 N -3.58 3.28 -0.12 1.40 5.36 0.70 -0.36 117.98 124.66 3dku s PHE 65 Ca 0.24 0.11 -0.13 0.00 -0.96 0.00 0.00 56.93 56.19 3dku s PHE 65 Cb 0.06 -2.12 -0.26 0.00 -0.34 0.00 0.00 43.02 40.35 3dku s PHE 65 CO 0.05 0.14 0.45 0.82 -1.46 0.00 0.00 175.22 175.22 3dku h ILE 66 N 4.89 0.85 0.00 3.12 2.04 -1.28 0.20 117.51 127.33 3dku h ILE 66 Ca -0.38 -2.36 0.00 0.00 1.00 0.00 0.00 64.86 63.12 3dku h ILE 66 Cb 1.16 2.57 0.00 0.00 -0.74 0.00 0.00 36.82 39.82 3dku h ILE 66 CO 0.70 0.75 0.00 -1.14 0.00 0.00 0.00 178.15 178.46 3dku n ARG 67 N -3.79 0.00 -4.88 2.37 0.00 -1.18 -4.67 116.66 104.51 3dku n ARG 67 Ca -0.29 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.24 3dku n ARG 67 Cb 0.95 0.00 -0.14 0.00 0.00 0.00 0.00 32.46 33.27 3dku n ARG 67 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.63 179.04 3dku s MET 68 N -2.00 2.82 -0.12 -0.14 -2.45 -1.26 -0.58 119.30 115.56 3dku s MET 68 Ca 0.00 -0.71 -0.02 0.00 -1.25 0.00 0.00 55.69 53.71 3dku s MET 68 Cb 0.00 -2.45 -0.03 0.00 1.25 0.00 0.00 34.83 33.60 3dku s MET 68 CO 0.00 0.46 -0.05 -1.01 1.05 0.00 0.00 175.02 175.47 3dku s HIS 69 N -0.31 2.99 -0.21 4.11 3.76 -0.54 -4.93 115.29 120.16 3dku s HIS 69 Ca 0.02 -0.21 -0.07 0.00 -0.15 0.00 0.00 55.06 54.66 3dku s HIS 69 Cb -0.13 -1.87 -0.03 0.00 1.11 0.00 0.00 32.58 31.66 3dku s HIS 69 CO 0.03 0.09 0.04 -1.14 -0.85 0.00 0.00 174.74 172.91 3dku s GLN 70 N -0.04 3.75 -0.01 1.40 0.74 -1.26 0.13 119.66 124.37 3dku s GLN 70 Ca 0.01 -0.45 -0.28 0.00 0.05 0.00 0.00 55.36 54.69 3dku s GLN 70 Cb -0.13 -3.20 0.07 0.00 1.10 0.00 0.00 33.01 30.84 3dku s GLN 70 CO 0.03 0.04 0.64 1.67 -0.55 0.00 0.00 175.29 177.11 3dku s TRP 71 N 0.99 -0.60 -0.21 1.67 1.48 -0.43 -5.00 118.94 116.83 3dku s TRP 71 Ca 0.03 0.90 -0.03 0.00 -1.06 0.00 0.00 56.10 55.94 3dku s TRP 71 Cb -0.14 0.42 -0.01 0.00 -1.16 0.00 0.00 33.47 32.58 3dku s TRP 71 CO 0.03 -0.64 -0.05 0.42 -4.06 0.00 0.00 176.95 172.64 3dku s ILE 72 N -1.73 3.31 0.69 0.66 1.01 -1.26 -0.64 121.20 123.24 3dku s ILE 72 Ca -0.09 -0.52 -0.15 0.00 0.00 0.00 0.00 60.65 59.90 3dku s ILE 72 Cb -0.00 -2.49 0.02 0.00 0.01 0.00 0.00 42.46 39.99 3dku s ILE 72 CO 0.05 0.44 1.14 0.00 0.00 0.00 0.00 174.94 176.57 3dku s ALA 73 N 1.38 2.33 0.51 9.38 0.00 0.14 -4.91 121.76 130.59 3dku s ALA 73 Ca 0.05 0.66 0.24 0.00 0.00 0.00 0.00 51.96 52.90 3dku s ALA 73 Cb -0.14 -3.37 1.34 0.00 0.00 0.00 0.00 23.12 20.95 3dku s ALA 73 CO -0.03 -1.51 1.99 -1.35 0.00 0.00 0.00 175.76 174.86 3dku h PRO 74 N -0.12 0.07 -0.34 0.00 0.11 -1.99 0.44 132.00 130.17 3dku h PRO 74 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3dku h PRO 74 Cb 1.26 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3dku h PRO 74 CO 0.52 0.04 0.00 -0.40 -0.21 0.00 0.00 178.00 177.96 3dku n ASP 75 N -4.40 1.06 -0.19 -2.05 3.85 -1.26 -4.89 116.55 108.67 3dku n ASP 75 Ca 0.10 -2.05 -0.02 0.00 -0.71 0.00 0.00 54.79 52.11 3dku n ASP 75 Cb 0.58 -0.21 -0.01 0.00 -1.35 0.00 0.00 41.12 40.14 3dku n ASP 75 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3dku n LYS 76 N -0.03 -1.04 -2.44 0.11 4.76 0.15 -5.04 118.16 114.64 3dku n LYS 76 Ca 0.05 0.41 -0.42 0.00 -2.87 0.00 0.00 58.31 55.48 3dku n LYS 76 Cb 0.20 -4.28 -0.03 0.00 -1.84 0.00 0.00 35.03 29.08 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 -1.66 4.11 -0.12 -0.18 2.01 -1.25 -4.79 115.64 113.77 3dku s THR 77 Ca 0.00 1.50 -0.25 0.00 0.31 0.00 0.00 61.69 63.25 3dku s THR 77 Cb 0.00 -3.96 -0.02 0.00 0.01 0.00 0.00 72.50 68.52 3dku s THR 77 CO 0.00 0.09 0.81 -2.84 -0.69 0.00 0.00 174.62 172.00 3dku s PRO 78 N 1.30 4.37 0.09 4.92 0.02 -1.26 0.26 135.00 144.70 3dku s PRO 78 Ca 0.58 1.03 0.08 0.00 0.02 0.00 0.00 61.00 62.71 3dku s PRO 78 Cb -0.28 -3.52 -0.03 0.00 0.02 0.00 0.00 34.50 30.68 3dku s PRO 78 CO 0.28 -0.17 -0.21 -0.06 -0.33 0.00 0.00 177.00 176.51 3dku s PHE 79 N 1.59 1.78 -0.33 6.54 0.08 0.19 -0.46 117.98 127.37 3dku s PHE 79 Ca 0.40 -0.41 0.02 0.00 0.12 0.00 0.00 56.93 57.06 3dku s PHE 79 Cb -0.17 -1.00 0.10 0.00 -0.57 0.00 0.00 43.02 41.38 3dku s PHE 79 CO 0.16 0.18 0.08 -0.51 -0.10 0.00 0.00 175.22 175.02 3dku s LEU 80 N -1.72 3.53 -0.38 -0.37 1.02 -0.88 -1.32 118.68 118.56 3dku s LEU 80 Ca 0.06 -1.93 -0.14 0.00 0.02 0.00 0.00 54.13 52.15 3dku s LEU 80 Cb -0.10 -1.26 0.01 0.00 0.02 0.00 0.00 46.19 44.87 3dku s LEU 80 CO 0.04 -0.39 0.27 -0.60 0.02 0.00 0.00 176.35 175.68 3dku s ARG 81 N 1.22 3.12 -0.33 1.70 3.52 0.12 -1.89 118.95 126.41 3dku s ARG 81 Ca 0.11 -0.91 -0.22 0.00 -0.13 0.00 0.00 55.73 54.58 3dku s ARG 81 Cb -0.18 -3.88 -0.00 0.00 -1.56 0.00 0.00 34.95 29.32 3dku s ARG 81 CO -0.16 -0.64 0.70 -0.06 -0.81 0.00 0.00 175.30 174.33 3dku s PHE 82 N 1.67 3.18 -0.28 5.12 0.40 0.82 -1.46 117.98 127.43 3dku s PHE 82 Ca 0.05 0.58 -0.09 0.00 -0.60 0.00 0.00 56.93 56.86 3dku s PHE 82 Cb -0.18 -3.16 -0.03 0.00 0.51 0.00 0.00 43.02 40.15 3dku s PHE 82 CO 0.10 -0.59 0.14 -1.17 0.70 0.00 0.00 175.22 174.40 3dku s LEU 83 N 2.82 3.83 0.14 -0.37 2.96 0.25 -0.82 118.68 127.49 3dku s LEU 83 Ca 0.28 -0.20 0.05 0.00 -0.22 0.00 0.00 54.13 54.04 3dku s LEU 83 Cb -0.14 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 3dku s LEU 83 CO 0.14 -0.08 0.10 -0.36 -1.32 0.00 0.00 176.35 174.83 3dku s PHE 84 N 1.68 3.12 -0.06 5.38 0.40 0.54 -0.85 117.98 128.18 3dku s PHE 84 Ca 0.06 -0.01 -0.02 0.00 -0.60 0.00 0.00 56.93 56.37 3dku s PHE 84 Cb -0.16 -1.53 -0.04 0.00 0.51 0.00 0.00 43.02 41.81 3dku s PHE 84 CO 0.07 0.52 0.05 0.00 0.70 0.00 0.00 175.22 176.55 3dku s ALA 85 N -1.63 3.46 -0.07 5.36 0.00 0.52 -1.05 121.76 128.35 3dku s ALA 85 Ca 0.30 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.46 3dku s ALA 85 Cb -0.11 -1.57 0.02 0.00 0.00 0.00 0.00 23.12 21.46 3dku s ALA 85 CO 0.22 0.63 -0.09 0.42 0.00 0.00 0.00 175.76 176.94 3dku s ILE 86 N -1.01 0.93 -0.15 0.00 1.01 -0.14 -1.72 121.20 120.13 3dku s ILE 86 Ca 0.17 -0.32 -0.07 0.00 0.00 0.00 0.00 60.65 60.43 3dku s ILE 86 Cb -0.12 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.40 3dku s ILE 86 CO 0.07 0.32 0.10 -1.61 0.00 0.00 0.00 174.94 173.82 3dku s GLU 87 N 1.05 3.67 0.17 2.79 0.41 -1.26 -1.43 118.70 124.11 3dku s GLU 87 Ca -0.08 -0.24 0.10 0.00 -0.41 0.00 0.00 54.97 54.34 3dku s GLU 87 Cb -0.14 -3.19 -0.04 0.00 -1.78 0.00 0.00 34.13 28.97 3dku s GLU 87 CO -0.01 0.54 -0.16 -0.51 -0.49 0.00 0.00 175.26 174.64 3dku s LEU 88 N -0.38 2.76 0.28 1.80 1.43 -0.27 -4.95 118.68 119.35 3dku s LEU 88 Ca 0.10 -0.67 -0.03 0.00 -1.03 0.00 0.00 54.13 52.50 3dku s LEU 88 Cb -0.12 -1.48 0.38 0.00 0.03 0.00 0.00 46.19 45.00 3dku s LEU 88 CO 0.01 0.12 1.94 -0.08 0.23 0.00 0.00 176.35 178.58 3dku h GLU 89 N 3.13 1.15 -2.88 1.70 4.57 -2.00 -3.42 114.58 116.83 3dku h GLU 89 Ca -0.47 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 57.62 3dku h GLU 89 Cb 1.20 -0.25 -0.13 0.00 -0.16 0.00 0.00 28.75 29.41 3dku h GLU 89 CO 0.51 0.78 0.24 1.14 -1.18 0.00 0.00 179.01 180.50 3dku s GLN 90 N -5.93 1.22 -0.10 1.92 -2.07 -1.26 -4.60 119.66 108.83 3dku s GLN 90 Ca -0.12 -0.43 -0.30 0.00 -1.82 0.00 0.00 55.36 52.70 3dku s GLN 90 Cb 0.18 0.56 -0.03 0.00 -1.09 0.00 0.00 33.01 32.63 3dku s GLN 90 CO 0.80 -0.53 1.29 -1.50 -1.32 0.00 0.00 175.29 174.03 3dku s ILE 91 N -3.60 4.15 0.47 3.63 2.07 -1.26 -4.92 121.20 121.74 3dku s ILE 91 Ca 0.01 1.44 0.08 0.00 -1.41 0.00 0.00 60.65 60.77 3dku s ILE 91 Cb -0.01 -3.93 0.02 0.00 0.13 0.00 0.00 42.46 38.68 3dku s ILE 91 CO -0.12 -0.07 0.53 0.00 -1.91 0.00 0.00 174.94 173.37 3dku s PRO 93 N -4.34 3.53 0.12 0.00 0.02 -1.26 -5.05 135.00 128.02 3dku s PRO 93 Ca 0.51 1.56 0.03 0.00 0.02 0.00 0.00 61.00 63.12 3dku s PRO 93 Cb -0.06 -2.08 -0.04 0.00 0.02 0.00 0.00 34.50 32.35 3dku s PRO 93 CO 0.31 -0.69 -0.09 0.95 -0.33 0.00 0.00 177.00 177.15 3dku s THR 94 N -1.80 0.93 -0.28 0.99 -4.23 -1.26 -4.70 115.64 105.29 3dku s THR 94 Ca 0.70 -1.91 -0.16 0.00 -1.18 0.00 0.00 61.69 59.14 3dku s THR 94 Cb -0.22 -1.66 0.09 0.00 1.34 0.00 0.00 72.50 72.05 3dku s THR 94 CO 0.26 -0.75 0.76 -1.58 -0.54 0.00 0.00 174.62 172.76 3dku s GLN 95 N -3.55 0.64 0.09 3.99 0.74 0.29 -4.98 119.66 116.88 3dku s GLN 95 Ca 0.12 1.09 -0.26 0.00 0.05 0.00 0.00 55.36 56.36 3dku s GLN 95 Cb 0.02 0.14 -0.13 0.00 1.10 0.00 0.00 33.01 34.14 3dku s GLN 95 CO -0.02 -0.13 1.69 -1.35 -0.55 0.00 0.00 175.29 174.93 3dku h PRO 96 N 6.67 -0.29 0.00 1.67 0.11 -1.77 -2.13 132.00 136.26 3dku h PRO 96 Ca -0.30 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3dku h PRO 96 Cb 1.22 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3dku h PRO 96 CO 0.16 -0.20 0.00 0.72 -0.21 0.00 0.00 178.00 178.48 3dku n HIS 97 N -5.25 0.00 -4.11 0.65 8.25 -1.26 -3.16 115.22 110.33 3dku n HIS 97 Ca -0.08 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.12 3dku n HIS 97 Cb 0.17 -0.92 -0.17 0.00 1.12 0.00 0.00 29.99 30.19 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 -2.33 1.97 0.45 0.41 3.68 -1.07 -4.92 116.67 114.85 3dku s ASP 98 Ca 0.00 -0.28 0.27 0.00 2.13 0.00 0.00 52.55 54.66 3dku s ASP 98 Cb 0.00 -0.80 1.31 0.00 -1.45 0.00 0.00 42.92 41.98 3dku s ASP 98 CO 0.00 -0.07 1.74 0.28 0.13 0.00 0.00 175.17 177.25 3dku h SER 99 N 7.77 0.27 -0.41 -0.34 0.02 -1.92 0.03 113.55 118.98 3dku h SER 99 Ca -0.30 0.07 0.08 0.00 -0.84 0.00 0.00 61.79 60.80 3dku h SER 99 Cb 1.15 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.70 3dku h SER 99 CO 0.43 -0.00 0.28 0.44 -1.14 0.00 0.00 176.83 176.84 3dku h ASP 100 N 0.21 0.17 -3.48 3.07 3.32 -1.96 -3.40 116.42 114.35 3dku h ASP 100 Ca 0.65 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 57.13 3dku h ASP 100 Cb 2.02 -0.03 -0.08 0.00 0.22 0.00 0.00 39.33 41.46 3dku h ASP 100 CO -0.24 0.10 0.77 -0.63 -1.72 0.00 0.00 179.24 177.52 3dku s ILE 101 N -5.20 4.46 0.12 0.35 -1.09 -0.00 -3.94 121.20 115.90 3dku s ILE 101 Ca -0.06 1.40 -0.08 0.00 -2.23 0.00 0.00 60.65 59.69 3dku s ILE 101 Cb 0.19 -4.43 -0.17 0.00 -1.58 0.00 0.00 42.46 36.46 3dku s ILE 101 CO 0.72 -0.63 1.30 0.44 -1.23 0.00 0.00 174.94 175.54 3dku h ASP 102 N 8.51 0.69 -5.85 3.58 3.32 -1.40 -3.46 116.42 121.82 3dku h ASP 102 Ca -0.22 -0.52 0.35 0.00 0.02 0.00 0.00 57.03 56.67 3dku h ASP 102 Cb 1.07 -0.21 -0.08 0.00 0.22 0.00 0.00 39.33 40.33 3dku h ASP 102 CO 1.04 1.30 0.91 0.00 -1.72 0.00 0.00 179.24 180.77 3dku s ARG 105 N -0.83 0.76 -0.36 0.00 0.52 -0.65 -5.01 118.95 113.38 3dku s ARG 105 Ca 0.07 -0.81 -0.08 0.00 -0.52 0.00 0.00 55.73 54.39 3dku s ARG 105 Cb -0.08 -0.71 0.04 0.00 0.52 0.00 0.00 34.95 34.72 3dku s ARG 105 CO 0.01 0.16 0.15 -1.58 0.02 0.00 0.00 175.30 174.06 3dku s TRP 106 N -1.12 3.26 0.31 -0.53 0.52 -1.26 -0.97 118.94 119.15 3dku s TRP 106 Ca -0.03 -1.31 0.06 0.00 0.02 0.00 0.00 56.10 54.84 3dku s TRP 106 Cb -0.09 -2.40 -0.06 0.00 -1.15 0.00 0.00 33.47 29.76 3dku s TRP 106 CO 0.01 -0.72 -0.02 0.54 0.02 0.00 0.00 176.95 176.79 3dku s VAL 107 N 1.45 1.54 0.11 4.03 0.11 -0.66 -4.78 120.40 122.19 3dku s VAL 107 Ca -0.00 -2.07 -0.05 0.00 -2.93 0.00 0.00 61.98 56.93 3dku s VAL 107 Cb -0.20 -2.61 -0.05 0.00 -1.53 0.00 0.00 36.38 31.99 3dku s VAL 107 CO 0.04 -0.18 0.35 -0.94 -3.33 0.00 0.00 175.10 171.03 3dku s SER 108 N -3.48 6.49 0.25 3.54 1.04 -1.26 -0.17 113.70 120.12 3dku s SER 108 Ca 0.32 0.57 -0.10 0.00 0.48 0.00 0.00 55.95 57.22 3dku s SER 108 Cb 0.06 -2.08 0.38 0.00 0.10 0.00 0.00 66.02 64.47 3dku s SER 108 CO 0.14 0.10 1.48 0.00 0.98 0.00 0.00 173.24 175.94 3dku n ALA 109 N 0.32 0.12 -0.00 5.32 0.00 -1.26 -0.37 120.51 124.64 3dku n ALA 109 Ca -0.04 1.02 -0.09 0.00 0.00 0.00 0.00 53.44 54.32 3dku n ALA 109 Cb 0.52 -0.57 -0.03 0.00 0.00 0.00 0.00 19.45 19.37 3dku n ALA 109 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3dku h GLU 110 N 0.00 -0.20 -0.89 0.00 4.57 -1.98 -0.55 114.58 115.52 3dku h GLU 110 Ca 0.42 0.01 0.24 0.00 -1.18 0.00 0.00 59.36 58.86 3dku h GLU 110 Cb 0.66 0.05 -0.14 0.00 -0.16 0.00 0.00 28.75 29.15 3dku h GLU 110 CO -0.97 -0.14 0.25 0.93 -1.18 0.00 0.00 179.01 177.91 3dku h GLU 111 N -0.21 0.20 -0.02 1.92 5.08 -1.10 0.68 114.58 121.13 3dku h GLU 111 Ca 0.10 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3dku h GLU 111 Cb 0.35 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 3dku h GLU 111 CO -0.26 0.13 -0.02 0.82 -1.00 0.00 0.00 179.01 178.69 3dku h ILE 112 N 0.21 1.38 0.00 3.13 2.04 -1.25 -1.70 117.51 121.32 3dku h ILE 112 Ca 0.57 -1.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.27 3dku h ILE 112 Cb 1.16 2.11 -0.00 0.00 -0.74 0.00 0.00 36.82 39.35 3dku h ILE 112 CO -0.66 0.31 -0.00 -0.07 0.00 0.00 0.00 178.15 177.72 3dku h LEU 113 N -0.42 0.00 -1.69 1.44 3.38 0.72 0.18 115.31 118.93 3dku h LEU 113 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dku h LEU 113 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3dku h LEU 113 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.54 3dku n GLN 114 N -3.35 0.72 -2.00 1.13 -0.00 -0.73 -4.98 117.38 108.18 3dku n GLN 114 Ca -0.03 -1.16 -0.42 0.00 -0.00 0.00 0.00 57.00 55.39 3dku n GLN 114 Cb 0.09 -1.15 -0.03 0.00 -0.00 0.00 0.00 30.24 29.15 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 -0.70 3.69 -2.13 2.61 0.00 0.61 -4.92 121.76 120.91 3dku s ALA 115 Ca 0.10 1.32 0.25 0.00 0.00 0.00 0.00 51.96 53.63 3dku s ALA 115 Cb 0.07 -3.58 0.52 0.00 0.00 0.00 0.00 23.12 20.12 3dku s ALA 115 CO 0.09 -0.74 1.42 0.45 0.00 0.00 0.00 175.76 176.99 3dku n SER 116 N 3.32 1.66 -2.78 0.00 2.88 -1.26 -4.51 113.62 112.92 3dku n SER 116 Ca 0.11 -1.33 -0.37 0.00 -1.33 0.00 0.00 58.87 55.95 3dku n SER 116 Cb 0.40 0.19 0.03 0.00 -0.75 0.00 0.00 64.21 64.08 3dku n SER 116 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3dku n ASN 117 N -0.06 7.40 -4.87 -3.46 2.04 -1.26 -4.99 115.26 110.06 3dku n ASN 117 Ca 0.13 -3.74 -0.35 0.00 -0.44 0.00 0.00 54.58 50.18 3dku n ASN 117 Cb 0.42 -1.08 -0.05 0.00 -2.53 0.00 0.00 39.78 36.53 3dku n ASN 117 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 3dku s LEU 118 N -3.77 4.35 0.34 -4.53 1.43 -1.26 0.00 118.68 115.25 3dku s LEU 118 Ca 0.54 0.79 0.14 0.00 -1.03 0.00 0.00 54.13 54.57 3dku s LEU 118 Cb 0.44 -2.96 1.07 0.00 0.03 0.00 0.00 46.19 44.77 3dku s LEU 118 CO -0.34 0.18 1.66 0.03 0.23 0.00 0.00 176.35 178.11 3dku h ARG 119 N 3.76 0.30 -2.52 1.70 3.08 -0.83 -3.44 114.38 116.42 3dku h ARG 119 Ca -0.49 -0.02 0.14 0.00 0.07 0.00 0.00 59.98 59.68 3dku h ARG 119 Cb 1.19 -0.07 -0.08 0.00 0.08 0.00 0.00 29.97 31.09 3dku h ARG 119 CO 0.66 0.20 0.41 -1.54 -1.07 0.00 0.00 179.97 178.63 3dku s SER 120 N -4.90 -0.24 0.10 7.04 1.04 -1.26 -5.01 113.70 110.47 3dku s SER 120 Ca -0.10 -0.39 0.05 0.00 0.48 0.00 0.00 55.95 55.99 3dku s SER 120 Cb 0.30 0.54 0.29 0.00 0.10 0.00 0.00 66.02 67.25 3dku s SER 120 CO 0.79 -0.98 1.07 -0.81 0.98 0.00 0.00 173.24 174.29 3dku n PRO 121 N -0.44 0.03 0.05 4.02 -0.04 -1.26 -2.36 135.00 135.01 3dku n PRO 121 Ca -0.06 0.46 0.12 0.00 -0.04 0.00 0.00 63.50 63.98 3dku n PRO 121 Cb 0.61 -1.73 0.30 0.00 -0.04 0.00 0.00 33.50 32.63 3dku n PRO 121 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3dku n LEU 122 N -1.63 0.60 0.30 1.53 4.32 -1.26 -3.13 117.00 117.73 3dku n LEU 122 Ca -0.00 0.30 -0.12 0.00 -0.02 0.00 0.00 56.01 56.17 3dku n LEU 122 Cb 0.13 -0.27 -0.06 0.00 -1.62 0.00 0.00 43.42 41.60 3dku n LEU 122 CO 0.02 -0.04 0.37 0.58 -1.22 0.00 0.00 177.39 177.10 3dku h VAL 123 N 0.00 0.00 -0.93 4.08 2.07 -1.85 -0.42 116.25 119.20 3dku h VAL 123 Ca 0.00 -0.26 0.21 0.00 0.82 0.00 0.00 66.70 67.47 3dku h VAL 123 Cb 0.67 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.36 3dku h VAL 123 CO 0.00 0.00 0.61 0.00 0.02 0.00 0.00 177.57 178.20 3dku h ALA 124 N -1.38 2.19 -0.55 1.67 0.00 -1.79 -2.20 119.26 117.21 3dku h ALA 124 Ca -0.08 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3dku h ALA 124 Cb 0.60 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3dku h ALA 124 CO 0.13 -0.50 -0.06 1.49 0.00 0.00 0.00 179.25 180.31 3dku h GLU 125 N 0.42 1.00 -0.57 0.00 4.57 -1.47 -1.89 114.58 116.64 3dku h GLU 125 Ca 0.49 -0.34 0.05 0.00 -1.18 0.00 0.00 59.36 58.39 3dku h GLU 125 Cb 1.21 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 29.68 3dku h GLU 125 CO -0.20 1.01 0.30 0.77 -1.18 0.00 0.00 179.01 179.71 3dku h SER 126 N 0.90 0.44 -0.20 1.04 0.02 -0.43 -1.11 113.55 114.21 3dku h SER 126 Ca 0.15 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 3dku h SER 126 Cb 0.61 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 3dku h SER 126 CO 0.04 0.30 0.09 0.40 -1.14 0.00 0.00 176.83 176.51 3dku h ILE 127 N 0.57 1.15 -0.35 3.27 1.08 -1.33 0.11 117.51 122.02 3dku h ILE 127 Ca 0.25 -0.44 0.07 0.00 -0.39 0.00 0.00 64.86 64.35 3dku h ILE 127 Cb 0.15 1.07 -0.09 0.00 -3.07 0.00 0.00 36.82 34.88 3dku h ILE 127 CO -0.17 0.14 -0.32 0.03 -0.69 0.00 0.00 178.15 177.15 3dku h ARG 128 N 0.18 -0.26 -0.94 2.37 3.08 -1.14 0.12 114.38 117.79 3dku h ARG 128 Ca 0.07 0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.25 3dku h ARG 128 Cb 0.15 0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.18 3dku h ARG 128 CO -0.01 -0.18 0.60 0.00 -1.07 0.00 0.00 179.97 179.32 3dku h TYR 130 N 0.89 0.82 0.00 0.00 3.20 0.53 -3.01 116.97 119.39 3dku h TYR 130 Ca 0.45 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.30 3dku h TYR 130 Cb 0.51 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.52 3dku h TYR 130 CO -0.00 0.61 -0.02 1.04 -1.64 0.00 0.00 178.16 178.15 3dku n GLN 131 N -4.57 0.17 0.00 1.82 6.02 0.30 -3.18 117.38 117.94 3dku n GLN 131 Ca 0.04 0.13 0.05 0.00 -0.01 0.00 0.00 57.00 57.21 3dku n GLN 131 Cb 0.10 -1.69 0.22 0.00 1.02 0.00 0.00 30.24 29.89 3dku n GLN 131 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3dku n SER 132 N -1.98 0.00 0.00 1.08 3.41 0.38 -4.88 113.62 111.63 3dku n SER 132 Ca 0.06 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 3dku n SER 132 Cb 0.40 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 3dku n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dku n GLY 133 N -0.47 2.55 3.66 5.00 0.00 -1.19 -4.98 105.19 109.76 3dku n GLY 133 Ca 0.03 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.57 3dku n GLY 133 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dku n GLN 134 N -1.45 1.89 -3.74 1.61 6.02 -1.26 -4.98 117.38 115.47 3dku n GLN 134 Ca 0.00 0.69 -0.13 0.00 -0.01 0.00 0.00 57.00 57.55 3dku n GLN 134 Cb 0.00 -2.44 -0.11 0.00 1.02 0.00 0.00 30.24 28.71 3dku n GLN 134 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3dku s ARG 135 N 1.70 0.41 0.04 -1.09 1.81 -1.26 -4.71 118.95 115.84 3dku s ARG 135 Ca 0.84 0.56 0.02 0.00 -1.72 0.00 0.00 55.73 55.43 3dku s ARG 135 Cb -0.76 0.16 -0.02 0.00 -0.45 0.00 0.00 34.95 33.87 3dku s ARG 135 CO 0.44 -0.07 -0.07 0.71 -0.68 0.00 0.00 175.30 175.63 3dku s TYR 136 N 0.43 0.63 0.64 -0.53 2.02 0.72 -4.96 117.35 116.30 3dku s TYR 136 Ca -0.02 -0.50 -0.18 0.00 -0.37 0.00 0.00 57.07 56.00 3dku s TYR 136 Cb -0.04 -0.38 -0.01 0.00 -0.40 0.00 0.00 41.96 41.13 3dku s TYR 136 CO -0.02 -0.09 1.26 -1.25 -1.57 0.00 0.00 175.55 173.87 3dku s PRO 137 N -1.56 2.61 0.31 -1.71 0.04 -1.26 -0.21 135.00 133.21 3dku s PRO 137 Ca -0.10 1.95 0.06 0.00 0.04 0.00 0.00 61.00 62.95 3dku s PRO 137 Cb -0.10 -1.87 0.53 0.00 0.04 0.00 0.00 34.50 33.10 3dku s PRO 137 CO 0.00 -1.52 1.76 -0.07 0.04 0.00 0.00 177.00 177.21 3dku h LEU 138 N 0.51 0.30 -2.62 -3.56 3.38 -1.93 -3.03 115.31 108.35 3dku h LEU 138 Ca -0.50 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.37 3dku h LEU 138 Cb 1.32 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 3dku h LEU 138 CO 0.53 0.59 0.02 1.05 0.09 0.00 0.00 178.44 180.72 3dku h GLU 139 N 0.26 0.00 0.00 1.13 9.09 -1.97 -1.78 114.58 121.31 3dku h GLU 139 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.45 3dku h GLU 139 Cb 0.67 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.77 3dku h GLU 139 CO 0.05 0.00 0.00 0.00 0.05 0.00 0.00 179.01 179.11 3dku n MET 140 N -3.58 0.11 -0.88 1.06 0.00 -1.15 -1.25 117.12 111.43 3dku n MET 140 Ca -0.03 0.39 0.05 0.00 0.00 0.00 0.00 57.70 58.11 3dku n MET 140 Cb 0.09 -1.72 0.13 0.00 0.00 0.00 0.00 33.22 31.72 3dku n MET 140 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 175.97 176.41 3dku n ILE 141 N -1.93 1.29 -1.32 3.17 -5.35 -0.68 -5.10 119.36 109.43 3dku n ILE 141 Ca 0.02 -2.22 -0.29 0.00 -0.27 0.00 0.00 62.75 59.99 3dku n ILE 141 Cb 0.18 0.24 0.18 0.00 -1.74 0.00 0.00 39.64 38.50 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 -2.66 1.58 0.47 3.28 0.00 -0.38 -4.87 107.32 104.74 3dku s GLY 142 Ca 0.34 -0.60 -0.04 0.00 0.00 0.00 0.00 44.72 44.42 3dku s GLY 142 CO -0.10 0.06 0.76 0.51 0.00 0.00 0.00 173.10 174.34 3dku s ASP 143 N -3.84 6.19 -0.02 1.64 -4.77 -1.26 -5.08 116.67 109.52 3dku s ASP 143 Ca 0.67 0.83 0.01 0.00 -3.30 0.00 0.00 52.55 50.75 3dku s ASP 143 Cb -0.15 -2.14 0.02 0.00 -1.09 0.00 0.00 42.92 39.56 3dku s ASP 143 CO 0.56 -0.59 -0.03 0.12 0.70 0.00 0.00 175.17 175.92 3dku s PHE 144 N -2.71 0.48 -1.04 2.11 5.36 -1.26 -4.80 117.98 116.13 3dku s PHE 144 Ca 0.47 -0.09 -0.17 0.00 -0.96 0.00 0.00 56.93 56.18 3dku s PHE 144 Cb -0.10 -0.44 0.02 0.00 -0.34 0.00 0.00 43.02 42.16 3dku s PHE 144 CO 0.44 -0.11 0.33 0.09 -1.46 0.00 0.00 175.22 174.51 3dku n ASN 145 N 3.71 -1.69 -4.84 6.13 3.02 -1.26 -4.95 115.26 115.38 3dku n ASN 145 Ca -0.22 -1.01 -0.32 0.00 -0.03 0.00 0.00 54.58 53.00 3dku n ASN 145 Cb 0.53 -1.22 -0.05 0.00 -0.61 0.00 0.00 39.78 38.43 3dku n ASN 145 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3dku s TRP 146 N -3.94 3.41 -2.98 3.10 -0.11 -1.26 -5.32 118.94 111.83 3dku s TRP 146 Ca 0.24 1.47 0.24 0.00 1.22 0.00 0.00 56.10 59.27 3dku s TRP 146 Cb -0.13 -2.78 0.19 0.00 -1.50 0.00 0.00 33.47 29.25 3dku s TRP 146 CO 0.76 -0.26 1.25 -0.35 -4.62 0.00 0.00 176.95 173.74