#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 3.77 -0.03 2.03 5.36 -1.26 -5.09 117.98 122.77 3dku s PHE 2 Ca 0.00 1.78 -0.01 0.00 -0.96 0.00 0.00 56.93 57.74 3dku s PHE 2 Cb 0.00 -3.13 0.03 0.00 -0.34 0.00 0.00 43.02 39.58 3dku s PHE 2 CO 0.00 -0.07 0.05 0.15 -1.46 0.00 0.00 175.22 173.89 3dku s LYS 3 N -0.95 -0.01 0.76 10.12 1.02 -1.26 -5.16 119.74 124.25 3dku s LYS 3 Ca 0.44 0.23 -0.08 0.00 0.02 0.00 0.00 55.97 56.58 3dku s LYS 3 Cb -0.28 -0.24 0.10 0.00 -0.52 0.00 0.00 37.83 36.89 3dku s LYS 3 CO 0.35 -0.17 1.08 -1.25 -0.92 0.00 0.00 175.35 174.44 3dku s PRO 4 N 1.10 1.82 -0.11 -1.68 0.04 -1.26 -5.01 135.00 129.90 3dku s PRO 4 Ca -0.09 -0.39 -0.21 0.00 0.04 0.00 0.00 61.00 60.35 3dku s PRO 4 Cb -0.13 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 3dku s PRO 4 CO -0.04 -1.50 0.59 -1.01 0.04 0.00 0.00 177.00 175.08 3dku s HIS 5 N -3.37 3.51 -0.33 0.56 3.76 -0.45 -4.90 115.29 114.07 3dku s HIS 5 Ca 0.64 1.03 -0.13 0.00 -0.15 0.00 0.00 55.06 56.45 3dku s HIS 5 Cb -0.09 -2.70 -0.02 0.00 1.11 0.00 0.00 32.58 30.89 3dku s HIS 5 CO 0.46 0.07 0.25 0.08 -0.85 0.00 0.00 174.74 174.75 3dku s VAL 6 N 0.93 5.28 0.19 -0.90 1.01 -1.26 0.44 120.40 126.09 3dku s VAL 6 Ca 0.31 -0.16 0.09 0.00 0.00 0.00 0.00 61.98 62.22 3dku s VAL 6 Cb -0.16 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 3dku s VAL 6 CO 0.13 0.01 -0.09 0.42 0.00 0.00 0.00 175.10 175.57 3dku s THR 7 N 1.75 3.20 0.17 3.92 -4.23 0.06 -0.72 115.64 119.80 3dku s THR 7 Ca 0.07 -1.68 0.09 0.00 -1.18 0.00 0.00 61.69 58.99 3dku s THR 7 Cb -0.17 -2.59 -0.04 0.00 1.34 0.00 0.00 72.50 71.03 3dku s THR 7 CO 0.11 -0.13 -0.20 0.68 -0.54 0.00 0.00 174.62 174.54 3dku s VAL 8 N -1.75 1.96 0.11 2.29 -7.23 0.82 -1.14 120.40 115.45 3dku s VAL 8 Ca 0.25 -1.96 -0.12 0.00 -1.81 0.00 0.00 61.98 58.34 3dku s VAL 8 Cb -0.09 -1.92 0.02 0.00 0.56 0.00 0.00 36.38 34.95 3dku s VAL 8 CO 0.15 -0.27 0.30 0.00 -0.31 0.00 0.00 175.10 174.97 3dku s ALA 9 N -1.98 -0.59 -0.04 1.32 0.00 -0.38 -1.51 121.76 118.58 3dku s ALA 9 Ca 0.17 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 51.84 3dku s ALA 9 Cb -0.06 0.59 0.00 0.00 0.00 0.00 0.00 23.12 23.65 3dku s ALA 9 CO 0.08 -0.58 -0.12 0.00 0.00 0.00 0.00 175.76 175.14 3dku s VAL 11 N 0.26 5.17 -0.21 0.00 1.01 -0.05 -4.12 120.40 122.47 3dku s VAL 11 Ca -0.06 0.73 -0.01 0.00 0.00 0.00 0.00 61.98 62.64 3dku s VAL 11 Cb -0.11 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.53 3dku s VAL 11 CO 0.02 0.21 -0.11 -0.69 0.00 0.00 0.00 175.10 174.53 3dku s VAL 12 N 1.55 2.75 0.04 2.92 1.01 -1.26 -1.54 120.40 125.88 3dku s VAL 12 Ca 0.19 -0.77 0.08 0.00 0.00 0.00 0.00 61.98 61.48 3dku s VAL 12 Cb -0.15 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 3dku s VAL 12 CO 0.09 0.43 -0.24 -2.28 0.00 0.00 0.00 175.10 173.09 3dku s HIS 13 N 1.37 2.09 -0.30 5.22 5.04 -0.18 -0.16 115.29 128.37 3dku s HIS 13 Ca 0.04 -0.39 -0.16 0.00 -1.54 0.00 0.00 55.06 53.01 3dku s HIS 13 Cb -0.14 -1.25 0.16 0.00 0.04 0.00 0.00 32.58 31.39 3dku s HIS 13 CO -0.07 0.11 1.03 0.00 -2.34 0.00 0.00 174.74 173.47 3dku s ALA 14 N -0.80 -2.60 -1.35 1.58 0.00 -0.18 -1.47 121.76 116.95 3dku s ALA 14 Ca 0.10 2.08 -0.09 0.00 0.00 0.00 0.00 51.96 54.05 3dku s ALA 14 Cb -0.09 -1.95 0.00 0.00 0.00 0.00 0.00 23.12 21.08 3dku s ALA 14 CO 0.02 -0.69 0.46 0.39 0.00 0.00 0.00 175.76 175.94 3dku n GLU 15 N 4.34 -2.15 -1.02 0.00 1.02 -1.26 -1.57 120.64 119.99 3dku n GLU 15 Ca -0.13 0.33 -0.01 0.00 -0.02 0.00 0.00 57.16 57.33 3dku n GLU 15 Cb 0.55 -4.06 -0.00 0.00 -0.02 0.00 0.00 31.44 27.91 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 -2.03 0.42 3.22 0.62 0.00 -1.26 -4.99 105.19 101.17 3dku n GLY 16 Ca -0.25 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.84 1.02 -0.03 1.61 1.02 -0.61 -4.48 119.74 117.42 3dku s LYS 17 Ca 0.00 -1.45 0.03 0.00 0.02 0.00 0.00 55.97 54.57 3dku s LYS 17 Cb 0.00 -0.35 -0.00 0.00 -0.52 0.00 0.00 37.83 36.96 3dku s LYS 17 CO 0.00 -0.04 -0.13 -0.06 -0.92 0.00 0.00 175.35 174.20 3dku s PHE 18 N -3.55 1.28 -0.00 3.18 0.08 0.50 -1.01 117.98 118.46 3dku s PHE 18 Ca 0.18 -0.33 -0.29 0.00 0.12 0.00 0.00 56.93 56.62 3dku s PHE 18 Cb 0.05 -0.87 -0.03 0.00 -0.57 0.00 0.00 43.02 41.59 3dku s PHE 18 CO 0.00 -0.11 0.93 -1.17 -0.10 0.00 0.00 175.22 174.77 3dku s LEU 19 N 0.05 4.37 -0.01 -0.37 2.96 0.77 -1.35 118.68 125.10 3dku s LEU 19 Ca -0.02 1.58 0.02 0.00 -0.22 0.00 0.00 54.13 55.50 3dku s LEU 19 Cb -0.09 -3.48 -0.00 0.00 0.50 0.00 0.00 46.19 43.12 3dku s LEU 19 CO 0.01 -0.21 -0.07 0.54 -1.32 0.00 0.00 176.35 175.29 3dku s VAL 20 N 0.87 0.59 0.21 1.68 0.11 -0.52 -4.39 120.40 118.96 3dku s VAL 20 Ca 0.49 -0.29 0.11 0.00 -2.93 0.00 0.00 61.98 59.35 3dku s VAL 20 Cb -0.21 -0.51 -0.04 0.00 -1.53 0.00 0.00 36.38 34.09 3dku s VAL 20 CO 0.26 0.18 -0.16 0.68 -3.33 0.00 0.00 175.10 172.73 3dku s VAL 21 N -0.01 2.77 -0.12 2.04 -7.23 0.17 -1.54 120.40 116.47 3dku s VAL 21 Ca 0.01 -1.97 0.02 0.00 -1.81 0.00 0.00 61.98 58.22 3dku s VAL 21 Cb -0.05 -2.38 -0.01 0.00 0.56 0.00 0.00 36.38 34.50 3dku s VAL 21 CO -0.00 -0.20 -0.18 -0.70 -0.31 0.00 0.00 175.10 173.71 3dku s GLU 22 N -3.00 3.21 0.37 4.82 2.12 -0.04 -1.23 118.70 124.95 3dku s GLU 22 Ca 0.25 -0.78 0.07 0.00 0.36 0.00 0.00 54.97 54.86 3dku s GLU 22 Cb -0.07 -2.48 -0.07 0.00 0.26 0.00 0.00 34.13 31.77 3dku s GLU 22 CO 0.14 0.17 -0.01 -1.21 -0.54 0.00 0.00 175.26 173.81 3dku s GLU 23 N 0.41 1.85 -0.32 4.30 2.02 -0.32 -1.22 118.70 125.42 3dku s GLU 23 Ca -0.14 -2.02 -0.05 0.00 0.02 0.00 0.00 54.97 52.78 3dku s GLU 23 Cb -0.17 -1.47 0.03 0.00 0.10 0.00 0.00 34.13 32.62 3dku s GLU 23 CO 0.06 -0.03 0.07 0.99 0.02 0.00 0.00 175.26 176.37 3dku s THR 24 N -2.82 3.63 -0.10 3.63 2.01 -1.26 -0.18 115.64 120.54 3dku s THR 24 Ca 0.34 -1.07 -0.13 0.00 0.31 0.00 0.00 61.69 61.15 3dku s THR 24 Cb 0.08 -3.01 -0.11 0.00 0.01 0.00 0.00 72.50 69.47 3dku s THR 24 CO 0.17 -0.08 0.39 -0.29 -0.69 0.00 0.00 174.62 174.11 3dku h ILE 25 N 6.15 0.70 -1.44 1.82 6.09 -1.67 -3.44 117.51 125.72 3dku h ILE 25 Ca -0.25 -1.45 -0.25 0.00 -1.37 0.00 0.00 64.86 61.54 3dku h ILE 25 Cb 1.09 1.30 -0.24 0.00 0.47 0.00 0.00 36.82 39.44 3dku h ILE 25 CO 0.59 0.23 -0.60 0.21 -3.07 0.00 0.00 178.15 175.51 3dku s ASN 26 N -5.74 -0.38 0.00 2.19 2.47 -1.26 -4.88 114.94 107.35 3dku s ASN 26 Ca -0.08 -1.63 0.00 0.00 0.42 0.00 0.00 52.86 51.57 3dku s ASN 26 Cb -0.01 1.23 0.00 0.00 -1.45 0.00 0.00 41.25 41.02 3dku s ASN 26 CO 0.30 -0.15 0.00 0.61 -3.72 0.00 0.00 177.10 174.13 3dku n GLY 27 N 3.67 2.35 3.81 1.21 0.00 -1.26 -4.93 105.19 110.03 3dku n GLY 27 Ca 0.16 -0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 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 3.94 -0.19 1.61 -0.14 -1.26 -5.06 119.74 118.64 3dku s LYS 28 Ca 0.00 0.22 -0.28 0.00 -1.36 0.00 0.00 55.97 54.54 3dku s LYS 28 Cb 0.00 -3.29 0.00 0.00 -1.68 0.00 0.00 37.83 32.86 3dku s LYS 28 CO 0.00 0.55 0.99 0.00 -0.76 0.00 0.00 175.35 176.13 3dku s ALA 29 N -0.52 3.59 -0.02 5.17 0.00 -1.26 -1.56 121.76 127.16 3dku s ALA 29 Ca 0.20 0.18 0.07 0.00 0.00 0.00 0.00 51.96 52.42 3dku s ALA 29 Cb -0.15 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.49 3dku s ALA 29 CO 0.09 -0.88 -0.24 -0.51 0.00 0.00 0.00 175.76 174.22 3dku s LEU 30 N 2.75 2.20 0.38 0.00 1.02 0.75 -4.85 118.68 120.92 3dku s LEU 30 Ca 0.44 -0.43 0.07 0.00 0.02 0.00 0.00 54.13 54.23 3dku s LEU 30 Cb -0.16 -1.38 -0.01 0.00 0.02 0.00 0.00 46.19 44.66 3dku s LEU 30 CO 0.10 0.32 0.42 0.26 0.02 0.00 0.00 176.35 177.47 3dku s TRP 31 N -0.66 2.88 -0.09 0.29 0.52 0.80 -1.17 118.94 121.50 3dku s TRP 31 Ca 0.11 -0.36 -0.32 0.00 0.02 0.00 0.00 56.10 55.55 3dku s TRP 31 Cb -0.10 -2.08 0.12 0.00 -1.15 0.00 0.00 33.47 30.26 3dku s TRP 31 CO -0.00 -0.08 1.11 1.21 0.02 0.00 0.00 176.95 179.21 3dku s ASN 32 N -4.15 -0.19 0.67 2.95 2.47 -0.37 -0.61 114.94 115.70 3dku s ASN 32 Ca 0.47 -0.05 -0.15 0.00 0.42 0.00 0.00 52.86 53.55 3dku s ASN 32 Cb -0.07 0.24 0.01 0.00 -1.45 0.00 0.00 41.25 39.97 3dku s ASN 32 CO 0.29 -0.40 1.13 -1.10 -3.72 0.00 0.00 177.10 173.30 3dku s GLN 33 N -2.67 2.70 -0.34 0.43 1.11 -1.26 0.43 119.66 120.05 3dku s GLN 33 Ca 0.09 1.46 -0.27 0.00 0.01 0.00 0.00 55.36 56.64 3dku s GLN 33 Cb -0.00 -1.93 -0.05 0.00 -1.01 0.00 0.00 33.01 30.02 3dku s GLN 33 CO -0.05 -1.34 2.15 -2.14 0.01 0.00 0.00 175.29 173.92 3dku s PRO 34 N -4.04 2.88 0.19 2.91 0.02 -1.26 -4.67 135.00 131.03 3dku s PRO 34 Ca 0.68 1.63 0.00 0.00 0.02 0.00 0.00 61.00 63.34 3dku s PRO 34 Cb -0.22 -4.39 -0.00 0.00 0.02 0.00 0.00 34.50 29.91 3dku s PRO 34 CO 0.42 -2.39 0.01 0.00 -0.33 0.00 0.00 177.00 174.70 3dku n ALA 35 N 12.52 0.17 0.00 -1.55 0.00 -1.26 -2.85 120.51 127.54 3dku n ALA 35 Ca 0.29 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.87 3dku n ALA 35 Cb 0.48 0.49 0.00 0.00 0.00 0.00 0.00 19.45 20.42 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 2.42 2.38 3.85 0.00 0.00 -0.57 -4.85 105.19 108.42 3dku n GLY 36 Ca -0.07 -1.21 -0.35 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.00 3.61 0.10 1.61 3.76 -1.26 -0.13 115.29 120.98 3dku s HIS 37 Ca 0.00 0.94 -0.31 0.00 -0.15 0.00 0.00 55.06 55.54 3dku s HIS 37 Cb 0.00 -2.27 -0.07 0.00 1.11 0.00 0.00 32.58 31.35 3dku s HIS 37 CO 0.00 0.49 1.29 -1.17 -0.85 0.00 0.00 174.74 174.50 3dku s LEU 38 N -1.86 4.38 0.44 0.89 2.96 0.11 -4.89 118.68 120.70 3dku s LEU 38 Ca 0.34 2.19 -0.03 0.00 -0.22 0.00 0.00 54.13 56.41 3dku s LEU 38 Cb -0.15 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 42.92 3dku s LEU 38 CO 0.18 -0.55 0.71 -1.61 -1.32 0.00 0.00 176.35 173.76 3dku s GLU 39 N 0.93 3.51 0.82 1.98 2.02 -1.26 -4.94 118.70 121.76 3dku s GLU 39 Ca 0.61 0.01 -0.14 0.00 0.02 0.00 0.00 54.97 55.47 3dku s GLU 39 Cb -0.33 -2.47 0.05 0.00 0.10 0.00 0.00 34.13 31.47 3dku s GLU 39 CO 0.31 -0.09 0.91 0.00 0.02 0.00 0.00 175.26 176.40 3dku n ALA 40 N -2.10 -0.86 -1.96 5.21 0.00 -1.26 -3.54 120.51 115.99 3dku n ALA 40 Ca -0.01 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.06 3dku n ALA 40 Cb 0.55 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.93 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 -2.29 0.00 -3.74 0.00 5.68 -1.26 -4.93 116.55 110.01 3dku n ASP 41 Ca 0.11 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.27 3dku n ASP 41 Cb 0.51 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.39 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 -1.53 0.46 0.38 0.11 2.12 -1.23 -5.08 118.70 113.93 3dku s GLU 42 Ca 0.00 0.56 -0.21 0.00 0.36 0.00 0.00 54.97 55.67 3dku s GLU 42 Cb 0.00 0.21 -0.10 0.00 0.26 0.00 0.00 34.13 34.50 3dku s GLU 42 CO 0.00 -0.06 0.90 0.99 -0.54 0.00 0.00 175.26 176.55 3dku s THR 43 N 0.27 4.40 0.14 -1.70 2.01 -1.26 -4.80 115.64 114.69 3dku s THR 43 Ca -0.00 1.48 -0.23 0.00 0.31 0.00 0.00 61.69 63.25 3dku s THR 43 Cb -0.03 -3.72 0.00 0.00 0.01 0.00 0.00 72.50 68.76 3dku s THR 43 CO -0.00 -0.15 1.64 -0.07 -0.69 0.00 0.00 174.62 175.34 3dku h LEU 44 N 2.37 -0.71 -0.76 4.42 3.38 -1.98 -0.76 115.31 121.26 3dku h LEU 44 Ca -0.48 0.12 0.07 0.00 0.09 0.00 0.00 57.88 57.68 3dku h LEU 44 Cb 1.18 0.33 -0.06 0.00 0.09 0.00 0.00 40.66 42.20 3dku h LEU 44 CO 0.63 -0.27 0.44 -0.37 0.09 0.00 0.00 178.44 178.96 3dku h VAL 45 N -0.27 0.98 -0.44 1.22 -1.51 -1.94 -1.87 116.25 112.42 3dku h VAL 45 Ca 0.11 -0.27 0.07 0.00 -1.23 0.00 0.00 66.70 65.38 3dku h VAL 45 Cb 0.44 0.11 -0.06 0.00 -2.13 0.00 0.00 31.29 29.65 3dku h VAL 45 CO -0.32 0.15 0.10 -0.33 -1.23 0.00 0.00 177.57 175.93 3dku h GLU 46 N 0.80 0.23 -0.67 5.19 5.08 -1.75 -0.89 114.58 122.57 3dku h GLU 46 Ca 0.34 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.76 3dku h GLU 46 Cb 0.22 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.36 3dku h GLU 46 CO -0.19 0.15 0.36 0.00 -1.00 0.00 0.00 179.01 178.33 3dku h ALA 47 N 1.33 0.91 0.70 3.43 0.00 -0.38 -0.51 119.26 124.75 3dku h ALA 47 Ca 0.22 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3dku h ALA 47 Cb 0.26 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3dku h ALA 47 CO -0.27 0.02 -0.42 0.00 0.00 0.00 0.00 179.25 178.58 3dku h ALA 48 N 1.36 -1.08 -0.83 0.00 0.00 -0.77 0.72 119.26 118.67 3dku h ALA 48 Ca 0.31 -0.22 0.18 0.00 0.00 0.00 0.00 54.91 55.18 3dku h ALA 48 Cb 0.22 0.51 -0.11 0.00 0.00 0.00 0.00 17.79 18.41 3dku h ALA 48 CO -0.20 -1.12 0.32 0.00 0.00 0.00 0.00 179.25 178.25 3dku h ALA 49 N -0.84 1.22 0.01 0.00 0.00 -0.91 0.20 119.26 118.94 3dku h ALA 49 Ca -0.09 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3dku h ALA 49 Cb 0.84 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3dku h ALA 49 CO 0.10 -0.29 -0.00 -0.09 0.00 0.00 0.00 179.25 178.97 3dku h ARG 50 N 0.40 -0.01 -0.90 0.00 2.43 -0.83 -0.50 114.38 114.96 3dku h ARG 50 Ca 0.49 0.00 0.16 0.00 -0.81 0.00 0.00 59.98 59.82 3dku h ARG 50 Cb 0.84 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.30 3dku h ARG 50 CO -0.48 0.43 0.49 0.93 -1.51 0.00 0.00 179.97 179.83 3dku h GLU 51 N -0.46 0.65 -0.19 0.20 4.39 -0.62 0.20 114.58 118.75 3dku h GLU 51 Ca -0.00 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 3dku h GLU 51 Cb 0.45 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 3dku h GLU 51 CO 0.00 0.43 0.04 1.25 -1.16 0.00 0.00 179.01 179.58 3dku h LEU 52 N 0.67 0.29 -0.09 1.33 5.85 -0.62 0.12 115.31 122.85 3dku h LEU 52 Ca 0.50 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.99 3dku h LEU 52 Cb 0.74 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 3dku h LEU 52 CO -0.37 0.45 0.05 -0.25 -0.34 0.00 0.00 178.44 177.97 3dku h TRP 53 N 0.11 0.13 -0.85 1.25 7.01 -0.56 -1.34 115.95 121.70 3dku h TRP 53 Ca 0.06 -0.00 0.08 0.00 2.11 0.00 0.00 58.89 61.14 3dku h TRP 53 Cb 0.27 -0.04 -0.07 0.00 -2.10 0.00 0.00 29.16 27.22 3dku h TRP 53 CO 0.01 0.17 0.51 0.93 -2.79 0.00 0.00 178.44 177.27 3dku h GLU 54 N 0.05 0.85 0.00 2.65 4.39 -0.49 0.79 114.58 122.82 3dku h GLU 54 Ca 0.03 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3dku h GLU 54 Cb 0.08 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 3dku h GLU 54 CO -0.00 0.56 -0.85 0.93 -1.16 0.00 0.00 179.01 178.48 3dku h GLU 55 N 0.87 0.00 0.00 2.33 5.08 -0.54 0.13 114.58 122.46 3dku h GLU 55 Ca 0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 3dku h GLU 55 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3dku h GLU 55 CO -0.22 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 178.04 3dku n THR 56 N -2.47 0.00 -0.17 1.13 -2.24 -0.52 -4.33 114.28 105.67 3dku n THR 56 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 3dku n THR 56 Cb 0.51 1.28 0.00 0.00 -2.10 0.00 0.00 70.33 70.02 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 0.00 2.55 3.82 3.38 0.00 0.26 -0.94 105.19 114.27 3dku n GLY 57 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.08 4.85 -0.42 -0.61 -4.36 -1.26 -4.82 121.20 111.51 3dku s ILE 58 Ca 0.00 1.06 -0.10 0.00 -0.26 0.00 0.00 60.65 61.35 3dku s ILE 58 Cb 0.00 -3.82 0.07 0.00 1.25 0.00 0.00 42.46 39.96 3dku s ILE 58 CO 0.00 0.56 0.27 -0.55 0.24 0.00 0.00 174.94 175.45 3dku s SER 59 N -1.11 5.71 -0.22 4.36 0.15 -1.26 -3.23 113.70 118.09 3dku s SER 59 Ca 0.27 -1.40 -0.14 0.00 0.70 0.00 0.00 55.95 55.38 3dku s SER 59 Cb -0.18 -2.01 0.07 0.00 -1.71 0.00 0.00 66.02 62.18 3dku s SER 59 CO 0.17 -0.52 0.56 0.00 1.20 0.00 0.00 173.24 174.64 3dku s ALA 60 N 1.47 -1.46 0.09 5.45 0.00 -1.26 -5.12 121.76 120.93 3dku s ALA 60 Ca 0.03 1.91 -0.24 0.00 0.00 0.00 0.00 51.96 53.66 3dku s ALA 60 Cb -0.23 -1.13 -0.06 0.00 0.00 0.00 0.00 23.12 21.70 3dku s ALA 60 CO 0.03 -0.31 0.74 -1.14 0.00 0.00 0.00 175.76 175.08 3dku s GLN 61 N 1.27 4.48 0.35 0.00 2.00 -1.26 -4.59 119.66 121.92 3dku s GLN 61 Ca -0.08 1.05 -0.25 0.00 -2.00 0.00 0.00 55.36 54.08 3dku s GLN 61 Cb -0.06 -3.31 -0.13 0.00 0.80 0.00 0.00 33.01 30.30 3dku s GLN 61 CO -0.13 0.42 0.74 -2.30 -0.50 0.00 0.00 175.29 173.52 3dku n PRO 62 N 2.27 0.82 -0.13 1.67 -0.02 -1.26 -4.94 135.00 133.41 3dku n PRO 62 Ca -0.05 0.29 -0.24 0.00 -2.02 0.00 0.00 63.50 61.49 3dku n PRO 62 Cb 0.50 -1.60 -0.11 0.00 -0.02 0.00 0.00 33.50 32.27 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 0.64 0.62 -3.92 -0.52 6.02 -0.10 -5.03 117.38 115.10 3dku n GLN 63 Ca 0.12 0.21 -0.09 0.00 -0.01 0.00 0.00 57.00 57.23 3dku n GLN 63 Cb 0.35 -1.51 -0.08 0.00 1.02 0.00 0.00 30.24 30.02 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 -2.51 0.23 -0.26 1.08 3.76 -1.05 -4.61 115.29 111.92 3dku s HIS 64 Ca -0.37 -0.65 -0.11 0.00 -0.15 0.00 0.00 55.06 53.78 3dku s HIS 64 Cb 0.12 -0.15 -0.05 0.00 1.11 0.00 0.00 32.58 33.61 3dku s HIS 64 CO 0.55 -0.46 0.18 0.12 -0.85 0.00 0.00 174.74 174.27 3dku s PHE 65 N -3.52 3.27 -0.01 1.40 5.36 -0.21 0.34 117.98 124.61 3dku s PHE 65 Ca 0.03 0.18 -0.00 0.00 -0.96 0.00 0.00 56.93 56.17 3dku s PHE 65 Cb 0.04 -2.33 -0.26 0.00 -0.34 0.00 0.00 43.02 40.12 3dku s PHE 65 CO -0.09 -0.05 0.81 0.82 -1.46 0.00 0.00 175.22 175.25 3dku h ILE 66 N 5.20 1.10 0.00 3.12 2.04 -1.06 0.22 117.51 128.12 3dku h ILE 66 Ca -0.36 -2.78 0.00 0.00 1.00 0.00 0.00 64.86 62.71 3dku h ILE 66 Cb 1.18 2.69 0.00 0.00 -0.74 0.00 0.00 36.82 39.95 3dku h ILE 66 CO 0.60 0.79 0.00 -1.14 0.00 0.00 0.00 178.15 178.40 3dku n ARG 67 N -3.39 0.00 -4.16 2.37 0.63 -1.15 -4.76 116.66 106.19 3dku n ARG 67 Ca -0.17 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.45 3dku n ARG 67 Cb 1.04 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.87 3dku n ARG 67 CO 0.00 0.00 0.00 1.41 -2.51 0.00 0.00 177.63 176.53 3dku s MET 68 N -2.00 2.71 -0.11 -0.14 -2.45 -1.26 -0.26 119.30 115.79 3dku s MET 68 Ca 0.00 -0.72 0.03 0.00 -1.25 0.00 0.00 55.69 53.74 3dku s MET 68 Cb 0.00 -2.63 0.01 0.00 1.25 0.00 0.00 34.83 33.46 3dku s MET 68 CO 0.00 0.58 -0.20 -1.01 1.05 0.00 0.00 175.02 175.43 3dku s HIS 69 N -1.25 2.34 -0.15 4.11 3.76 -0.05 -4.97 115.29 119.07 3dku s HIS 69 Ca 0.24 -1.05 -0.16 0.00 -0.15 0.00 0.00 55.06 53.94 3dku s HIS 69 Cb -0.12 -1.60 -0.04 0.00 1.11 0.00 0.00 32.58 31.92 3dku s HIS 69 CO 0.16 -0.47 0.38 -1.14 -0.85 0.00 0.00 174.74 172.82 3dku s GLN 70 N 0.66 4.28 0.20 1.40 0.74 -1.26 -1.28 119.66 124.40 3dku s GLN 70 Ca -0.12 0.24 -0.19 0.00 0.05 0.00 0.00 55.36 55.34 3dku s GLN 70 Cb -0.16 -3.44 0.04 0.00 1.10 0.00 0.00 33.01 30.54 3dku s GLN 70 CO 0.03 0.17 0.58 1.67 -0.55 0.00 0.00 175.29 177.19 3dku s TRP 71 N 0.63 -0.24 -0.20 1.67 1.48 -0.75 -5.02 118.94 116.51 3dku s TRP 71 Ca 0.20 -0.09 0.00 0.00 -1.06 0.00 0.00 56.10 55.15 3dku s TRP 71 Cb -0.14 0.49 0.02 0.00 -1.16 0.00 0.00 33.47 32.68 3dku s TRP 71 CO 0.07 -0.96 -0.15 0.42 -4.06 0.00 0.00 176.95 172.27 3dku s ILE 72 N -3.85 2.35 0.87 0.66 1.01 -1.26 0.34 121.20 121.32 3dku s ILE 72 Ca 0.07 -0.94 -0.13 0.00 0.00 0.00 0.00 60.65 59.66 3dku s ILE 72 Cb -0.02 -2.06 0.08 0.00 0.01 0.00 0.00 42.46 40.47 3dku s ILE 72 CO -0.04 0.44 0.89 0.00 0.00 0.00 0.00 174.94 176.24 3dku n ALA 73 N 4.64 -1.13 -0.26 9.38 0.00 -0.17 -4.87 120.51 128.09 3dku n ALA 73 Ca -0.20 -0.46 0.05 0.00 0.00 0.00 0.00 53.44 52.83 3dku n ALA 73 Cb 0.49 -2.07 0.18 0.00 0.00 0.00 0.00 19.45 18.06 3dku n ALA 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3dku h PRO 74 N -1.31 0.51 -0.53 0.00 0.11 -2.00 -0.39 132.00 128.39 3dku h PRO 74 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3dku h PRO 74 Cb 1.29 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3dku h PRO 74 CO 0.41 0.34 0.00 -0.40 -0.21 0.00 0.00 178.00 178.14 3dku n ASP 75 N -4.93 0.53 0.00 -2.05 3.85 -1.26 -4.83 116.55 107.85 3dku n ASP 75 Ca 0.14 -1.42 0.00 0.00 -0.71 0.00 0.00 54.79 52.80 3dku n ASP 75 Cb 0.38 -0.26 0.00 0.00 -1.35 0.00 0.00 41.12 39.89 3dku n ASP 75 CO 0.00 0.00 0.00 2.29 -1.01 0.00 0.00 177.20 178.48 3dku n LYS 76 N -0.02 -0.24 -1.91 0.11 2.85 -0.16 -4.99 118.16 113.80 3dku n LYS 76 Ca 0.00 0.06 -0.42 0.00 -1.05 0.00 0.00 58.31 56.90 3dku n LYS 76 Cb 0.13 -4.11 -0.03 0.00 -0.65 0.00 0.00 35.03 30.37 3dku n LYS 76 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3dku s THR 77 N -1.63 3.08 0.13 0.58 2.01 -1.26 -4.68 115.64 113.87 3dku s THR 77 Ca 0.00 0.45 -0.21 0.00 0.31 0.00 0.00 61.69 62.25 3dku s THR 77 Cb 0.00 -3.29 -0.07 0.00 0.01 0.00 0.00 72.50 69.14 3dku s THR 77 CO 0.00 -0.01 0.65 -2.16 -0.69 0.00 0.00 174.62 172.41 3dku s PRO 78 N 2.97 4.31 0.04 4.92 0.04 -1.26 -1.00 135.00 145.02 3dku s PRO 78 Ca 0.75 0.87 0.04 0.00 0.04 0.00 0.00 61.00 62.70 3dku s PRO 78 Cb -0.39 -3.17 -0.02 0.00 0.04 0.00 0.00 34.50 30.95 3dku s PRO 78 CO 0.33 0.57 -0.12 -0.06 0.04 0.00 0.00 177.00 177.76 3dku s PHE 79 N -1.21 1.06 -0.28 0.56 0.08 0.15 -1.34 117.98 117.00 3dku s PHE 79 Ca 0.34 -0.38 0.03 0.00 0.12 0.00 0.00 56.93 57.04 3dku s PHE 79 Cb -0.20 -0.63 0.07 0.00 -0.57 0.00 0.00 43.02 41.70 3dku s PHE 79 CO 0.22 0.02 -0.05 -0.51 -0.10 0.00 0.00 175.22 174.79 3dku s LEU 80 N -1.27 3.76 -0.36 -0.37 1.02 0.17 -1.82 118.68 119.82 3dku s LEU 80 Ca -0.01 -1.62 -0.09 0.00 0.02 0.00 0.00 54.13 52.43 3dku s LEU 80 Cb -0.08 -1.53 0.04 0.00 0.02 0.00 0.00 46.19 44.63 3dku s LEU 80 CO 0.01 -0.26 0.16 -0.60 0.02 0.00 0.00 176.35 175.68 3dku s ARG 81 N 1.07 2.70 -0.42 1.70 3.52 -0.41 -0.76 118.95 126.35 3dku s ARG 81 Ca -0.02 -1.16 -0.21 0.00 -0.13 0.00 0.00 55.73 54.21 3dku s ARG 81 Cb -0.20 -3.60 0.02 0.00 -1.56 0.00 0.00 34.95 29.61 3dku s ARG 81 CO -0.06 -0.70 0.67 -0.06 -0.81 0.00 0.00 175.30 174.33 3dku s PHE 82 N 1.47 3.07 -0.21 5.12 0.40 -0.29 -0.87 117.98 126.66 3dku s PHE 82 Ca 0.00 0.06 -0.18 0.00 -0.60 0.00 0.00 56.93 56.21 3dku s PHE 82 Cb -0.20 -3.36 -0.03 0.00 0.51 0.00 0.00 43.02 39.94 3dku s PHE 82 CO 0.04 -0.84 0.50 -1.17 0.70 0.00 0.00 175.22 174.45 3dku s LEU 83 N 2.88 4.13 0.30 -0.37 2.96 0.65 -1.25 118.68 127.97 3dku s LEU 83 Ca 0.24 0.61 0.09 0.00 -0.22 0.00 0.00 54.13 54.86 3dku s LEU 83 Cb -0.14 -2.66 -0.05 0.00 0.50 0.00 0.00 46.19 43.84 3dku s LEU 83 CO 0.19 -0.18 0.01 -0.36 -1.32 0.00 0.00 176.35 174.69 3dku s PHE 84 N 1.71 2.62 -0.01 5.38 0.40 0.02 -0.50 117.98 127.59 3dku s PHE 84 Ca 0.23 -0.33 0.05 0.00 -0.60 0.00 0.00 56.93 56.28 3dku s PHE 84 Cb -0.15 -1.35 -0.01 0.00 0.51 0.00 0.00 43.02 42.01 3dku s PHE 84 CO 0.09 0.53 -0.17 0.00 0.70 0.00 0.00 175.22 176.37 3dku s ALA 85 N -2.42 1.43 -0.08 5.36 0.00 0.15 -0.87 121.76 125.33 3dku s ALA 85 Ca 0.33 -0.75 -0.03 0.00 0.00 0.00 0.00 51.96 51.51 3dku s ALA 85 Cb -0.04 -0.36 0.05 0.00 0.00 0.00 0.00 23.12 22.77 3dku s ALA 85 CO 0.20 0.35 0.16 0.42 0.00 0.00 0.00 175.76 176.89 3dku s ILE 86 N -0.42 -0.19 -0.17 0.00 1.01 -0.59 -0.92 121.20 119.92 3dku s ILE 86 Ca 0.06 0.29 -0.06 0.00 0.00 0.00 0.00 60.65 60.94 3dku s ILE 86 Cb -0.07 -0.29 -0.04 0.00 0.01 0.00 0.00 42.46 42.08 3dku s ILE 86 CO -0.01 0.12 0.03 -1.61 0.00 0.00 0.00 174.94 173.47 3dku s GLU 87 N 1.88 3.82 0.17 2.79 0.41 -1.26 -1.02 118.70 125.50 3dku s GLU 87 Ca -0.02 -0.39 0.09 0.00 -0.41 0.00 0.00 54.97 54.24 3dku s GLU 87 Cb -0.12 -3.10 -0.04 0.00 -1.78 0.00 0.00 34.13 29.09 3dku s GLU 87 CO -0.06 0.31 -0.13 -0.51 -0.49 0.00 0.00 175.26 174.38 3dku s LEU 88 N 0.25 2.86 0.12 1.80 1.43 -0.54 -4.96 118.68 119.63 3dku s LEU 88 Ca 0.02 -0.62 -0.15 0.00 -1.03 0.00 0.00 54.13 52.35 3dku s LEU 88 Cb -0.13 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.49 3dku s LEU 88 CO 0.01 0.12 1.56 -0.33 0.23 0.00 0.00 176.35 177.94 3dku h GLU 89 N 3.06 0.65 -4.41 1.70 4.39 -1.99 -3.40 114.58 114.58 3dku h GLU 89 Ca -0.47 -0.21 -0.40 0.00 0.34 0.00 0.00 59.36 58.62 3dku h GLU 89 Cb 1.20 -0.06 -0.31 0.00 -0.10 0.00 0.00 28.75 29.48 3dku h GLU 89 CO 0.52 0.75 -0.78 -0.65 -1.16 0.00 0.00 179.01 177.70 3dku s GLN 90 N -5.02 0.81 0.01 2.33 1.11 -1.26 -4.59 119.66 113.05 3dku s GLN 90 Ca -0.13 -0.24 -0.40 0.00 0.01 0.00 0.00 55.36 54.61 3dku s GLN 90 Cb 0.10 -0.78 -0.20 0.00 -1.01 0.00 0.00 33.01 31.12 3dku s GLN 90 CO 0.78 0.07 1.07 -0.89 0.01 0.00 0.00 175.29 176.34 3dku n ILE 91 N 3.37 0.04 -4.42 1.08 5.41 -1.26 -4.97 119.36 118.60 3dku n ILE 91 Ca -0.19 -0.01 -0.21 0.00 1.00 0.00 0.00 62.75 63.35 3dku n ILE 91 Cb 0.54 -0.03 -0.10 0.00 -0.71 0.00 0.00 39.64 39.33 3dku n ILE 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3dku s PRO 93 N -3.83 2.57 -0.07 0.00 0.04 -1.26 -5.04 135.00 127.41 3dku s PRO 93 Ca 0.33 1.49 0.02 0.00 0.04 0.00 0.00 61.00 62.88 3dku s PRO 93 Cb 0.07 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.67 3dku s PRO 93 CO 0.13 -1.45 -0.12 0.99 0.04 0.00 0.00 177.00 176.60 3dku s THR 94 N -2.26 3.28 -0.45 1.26 2.01 -1.26 -4.81 115.64 113.41 3dku s THR 94 Ca 0.69 -0.63 0.06 0.00 0.31 0.00 0.00 61.69 62.12 3dku s THR 94 Cb -0.23 -2.32 0.21 0.00 0.01 0.00 0.00 72.50 70.17 3dku s THR 94 CO 0.43 0.58 0.61 1.67 -0.69 0.00 0.00 174.62 177.22 3dku n GLN 95 N 2.52 0.54 -1.84 4.92 -0.06 -0.11 -5.00 117.38 118.35 3dku n GLN 95 Ca -0.18 -2.56 -0.41 0.00 -2.00 0.00 0.00 57.00 51.85 3dku n GLN 95 Cb 0.52 -1.46 -0.00 0.00 -4.06 0.00 0.00 30.24 25.24 3dku n GLN 95 CO 0.00 0.00 0.00 -2.14 -0.20 0.00 0.00 177.06 174.72 3dku s PRO 96 N 0.11 4.14 0.00 3.69 0.02 -1.26 -2.85 135.00 138.85 3dku s PRO 96 Ca 0.32 2.53 0.13 0.00 0.02 0.00 0.00 61.00 64.01 3dku s PRO 96 Cb 0.11 -2.98 0.02 0.00 0.02 0.00 0.00 34.50 31.67 3dku s PRO 96 CO -0.15 -0.50 0.79 0.72 -0.33 0.00 0.00 177.00 177.53 3dku n HIS 97 N 0.55 0.00 -3.71 6.54 8.25 0.33 -4.87 115.22 122.31 3dku n HIS 97 Ca 0.01 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.11 3dku n HIS 97 Cb 0.39 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.44 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 -1.52 6.39 0.13 0.41 -1.08 -0.52 -4.98 116.67 115.50 3dku s ASP 98 Ca 0.12 0.46 0.25 0.00 -0.52 0.00 0.00 52.55 52.87 3dku s ASP 98 Cb 0.11 -2.12 0.63 0.00 -1.46 0.00 0.00 42.92 40.07 3dku s ASP 98 CO 0.29 0.26 1.56 -1.54 0.52 0.00 0.00 175.17 176.27 3dku n SER 99 N 2.79 0.65 0.30 -0.34 3.41 -1.26 -2.32 113.62 116.85 3dku n SER 99 Ca -0.16 0.29 0.18 0.00 -0.26 0.00 0.00 58.87 58.92 3dku n SER 99 Cb 0.53 -0.26 1.01 0.00 -0.26 0.00 0.00 64.21 65.23 3dku n SER 99 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3dku h ASP 100 N 0.00 0.00 -2.75 4.04 3.32 -1.96 -3.40 116.42 115.67 3dku h ASP 100 Ca 0.00 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.38 3dku h ASP 100 Cb 0.69 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.07 3dku h ASP 100 CO 0.00 0.00 0.40 -0.63 -1.72 0.00 0.00 179.24 177.29 3dku s ILE 101 N -4.43 4.59 0.30 0.35 -1.09 -0.98 -4.38 121.20 115.56 3dku s ILE 101 Ca -0.05 -0.79 0.04 0.00 -2.23 0.00 0.00 60.65 57.61 3dku s ILE 101 Cb 0.14 -4.62 0.29 0.00 -1.58 0.00 0.00 42.46 36.70 3dku s ILE 101 CO 0.48 -1.33 1.83 0.44 -1.23 0.00 0.00 174.94 175.14 3dku h ASP 102 N 9.30 0.85 0.00 3.58 3.32 -1.40 -3.48 116.42 128.60 3dku h ASP 102 Ca -0.23 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.87 3dku h ASP 102 Cb 1.07 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.51 3dku h ASP 102 CO 1.13 0.43 0.00 0.00 -1.72 0.00 0.00 179.24 179.08 3dku s ARG 105 N -3.30 0.51 -0.28 0.00 3.52 -0.59 -5.00 118.95 113.81 3dku s ARG 105 Ca 0.21 0.17 -0.18 0.00 -0.13 0.00 0.00 55.73 55.80 3dku s ARG 105 Cb -0.03 0.23 -0.02 0.00 -1.56 0.00 0.00 34.95 33.57 3dku s ARG 105 CO 0.08 -0.11 0.53 -1.58 -0.81 0.00 0.00 175.30 173.41 3dku s TRP 106 N -0.49 3.24 0.12 5.12 0.52 -1.26 -1.43 118.94 124.75 3dku s TRP 106 Ca -0.06 0.54 0.07 0.00 0.02 0.00 0.00 56.10 56.66 3dku s TRP 106 Cb -0.04 -2.79 -0.04 0.00 -1.15 0.00 0.00 33.47 29.45 3dku s TRP 106 CO 0.02 -0.36 -0.17 0.08 0.02 0.00 0.00 176.95 176.55 3dku s VAL 107 N 2.36 1.50 0.44 4.03 1.01 -0.46 -4.82 120.40 124.47 3dku s VAL 107 Ca 0.21 -1.64 -0.10 0.00 0.00 0.00 0.00 61.98 60.44 3dku s VAL 107 Cb -0.15 -1.53 -0.06 0.00 0.00 0.00 0.00 36.38 34.64 3dku s VAL 107 CO 0.10 -0.26 0.81 -0.94 0.00 0.00 0.00 175.10 174.81 3dku s SER 108 N -2.23 6.48 0.09 3.32 1.04 -1.26 0.19 113.70 121.32 3dku s SER 108 Ca 0.08 1.17 -0.27 0.00 0.48 0.00 0.00 55.95 57.41 3dku s SER 108 Cb -0.07 -2.34 -0.11 0.00 0.10 0.00 0.00 66.02 63.60 3dku s SER 108 CO 0.04 -0.47 1.44 0.00 0.98 0.00 0.00 173.24 175.22 3dku h ALA 109 N 0.97 -0.85 -0.43 5.32 0.00 -1.95 -1.11 119.26 121.21 3dku h ALA 109 Ca -0.47 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 54.50 3dku h ALA 109 Cb 1.19 0.87 -0.02 0.00 0.00 0.00 0.00 17.79 19.84 3dku h ALA 109 CO 0.63 -0.98 0.36 1.05 0.00 0.00 0.00 179.25 180.31 3dku h GLU 110 N -0.52 0.00 -0.07 0.00 9.09 -1.96 0.95 114.58 122.07 3dku h GLU 110 Ca 0.01 0.00 -0.22 0.00 0.05 0.00 0.00 59.36 59.20 3dku h GLU 110 Cb 0.56 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.67 3dku h GLU 110 CO -0.30 0.00 -0.85 1.49 0.05 0.00 0.00 179.01 179.40 3dku h GLU 111 N 0.00 0.61 -0.53 1.06 4.81 -1.64 -2.39 114.58 116.50 3dku h GLU 111 Ca 0.21 -0.55 -0.12 0.00 -0.13 0.00 0.00 59.36 58.76 3dku h GLU 111 Cb 0.92 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 3dku h GLU 111 CO -0.00 1.17 -0.15 0.82 -0.73 0.00 0.00 179.01 180.12 3dku h ILE 112 N 0.39 1.27 0.00 2.32 2.04 0.01 -3.12 117.51 120.42 3dku h ILE 112 Ca -0.07 -1.31 0.00 0.00 1.00 0.00 0.00 64.86 64.48 3dku h ILE 112 Cb 1.47 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.57 3dku h ILE 112 CO 0.16 0.46 0.00 -0.07 0.00 0.00 0.00 178.15 178.70 3dku h LEU 113 N 0.90 0.00 -1.33 1.44 3.38 -0.50 -2.57 115.31 116.64 3dku h LEU 113 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3dku h LEU 113 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3dku h LEU 113 CO 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 178.44 178.55 3dku n GLN 114 N -2.53 0.77 -2.57 1.13 6.02 -0.93 -5.03 117.38 114.24 3dku n GLN 114 Ca 0.00 -1.08 -0.38 0.00 -0.01 0.00 0.00 57.00 55.54 3dku n GLN 114 Cb 0.19 -1.19 -0.05 0.00 1.02 0.00 0.00 30.24 30.21 3dku n GLN 114 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3dku s ALA 115 N -1.00 3.20 -1.41 -1.58 0.00 -0.97 -4.95 121.76 115.05 3dku s ALA 115 Ca 0.12 0.72 0.15 0.00 0.00 0.00 0.00 51.96 52.95 3dku s ALA 115 Cb 0.09 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.96 3dku s ALA 115 CO 0.16 -0.12 0.82 -1.13 0.00 0.00 0.00 175.76 175.49 3dku n SER 116 N 0.42 1.63 -2.83 0.00 3.41 -1.26 -4.57 113.62 110.42 3dku n SER 116 Ca 0.03 -1.31 -0.36 0.00 -0.26 0.00 0.00 58.87 56.96 3dku n SER 116 Cb 0.48 0.40 0.03 0.00 -0.26 0.00 0.00 64.21 64.85 3dku n SER 116 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3dku n ASN 117 N -0.00 6.65 -4.93 4.04 2.04 -1.26 -4.99 115.26 116.80 3dku n ASN 117 Ca 0.06 -3.79 -0.28 0.00 -0.44 0.00 0.00 54.58 50.13 3dku n ASN 117 Cb 0.31 -0.89 -0.03 0.00 -2.53 0.00 0.00 39.78 36.64 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 -3.93 4.30 0.35 -4.53 1.43 -1.26 -0.14 118.68 114.89 3dku s LEU 118 Ca 0.50 0.30 0.08 0.00 -1.03 0.00 0.00 54.13 53.98 3dku s LEU 118 Cb 0.41 -3.04 0.64 0.00 0.03 0.00 0.00 46.19 44.23 3dku s LEU 118 CO -0.33 0.03 1.82 -0.09 0.23 0.00 0.00 176.35 178.01 3dku h ARG 119 N 2.28 0.24 -2.13 1.70 9.65 -1.17 -3.44 114.38 121.50 3dku h ARG 119 Ca -0.48 -0.08 0.09 0.00 -1.10 0.00 0.00 59.98 58.41 3dku h ARG 119 Cb 1.19 -0.02 -0.17 0.00 -1.39 0.00 0.00 29.97 29.57 3dku h ARG 119 CO 0.70 0.48 0.47 -1.54 2.80 0.00 0.00 179.97 182.88 3dku s SER 120 N -6.88 -0.40 0.36 -3.80 1.04 -1.26 -5.03 113.70 97.73 3dku s SER 120 Ca -0.05 0.14 0.15 0.00 0.48 0.00 0.00 55.95 56.67 3dku s SER 120 Cb 0.15 0.39 0.81 0.00 0.10 0.00 0.00 66.02 67.46 3dku s SER 120 CO 0.75 -0.57 1.37 -0.65 0.98 0.00 0.00 173.24 175.11 3dku h PRO 121 N 2.20 0.00 0.00 4.02 0.11 -2.01 -2.61 132.00 133.70 3dku h PRO 121 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3dku h PRO 121 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3dku h PRO 121 CO 0.32 0.00 -0.15 -0.07 -0.21 0.00 0.00 178.00 177.89 3dku h LEU 122 N 0.00 0.00 0.82 2.35 4.07 -1.97 -3.00 115.31 117.58 3dku h LEU 122 Ca 0.00 -0.03 -0.04 0.00 0.08 0.00 0.00 57.88 57.89 3dku h LEU 122 Cb 0.61 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.36 3dku h LEU 122 CO 0.00 0.01 -0.40 0.58 -1.08 0.00 0.00 178.44 177.56 3dku h VAL 123 N 0.00 0.00 -0.94 1.22 2.07 -1.86 0.04 116.25 116.78 3dku h VAL 123 Ca 0.00 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.37 3dku h VAL 123 Cb 0.85 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 3dku h VAL 123 CO 0.00 0.00 0.63 0.00 0.02 0.00 0.00 177.57 178.22 3dku h ALA 124 N -1.33 1.21 -0.59 1.67 0.00 -1.78 -2.57 119.26 115.87 3dku h ALA 124 Ca -0.11 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 54.83 3dku h ALA 124 Cb 0.85 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3dku h ALA 124 CO 0.19 0.58 0.40 1.49 0.00 0.00 0.00 179.25 181.90 3dku h GLU 125 N 1.27 0.37 -0.32 0.00 4.57 -1.39 -0.67 114.58 118.41 3dku h GLU 125 Ca 0.35 -0.02 -0.13 0.00 -1.18 0.00 0.00 59.36 58.38 3dku h GLU 125 Cb -0.13 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.37 3dku h GLU 125 CO -0.08 0.24 -0.31 0.77 -1.18 0.00 0.00 179.01 178.45 3dku h SER 126 N 0.38 0.72 -0.57 1.04 0.02 -0.56 -2.07 113.55 112.51 3dku h SER 126 Ca 0.27 -0.29 -0.11 0.00 -0.84 0.00 0.00 61.79 60.82 3dku h SER 126 Cb 0.56 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 3dku h SER 126 CO -0.07 0.98 -0.06 0.40 -1.14 0.00 0.00 176.83 176.94 3dku h ILE 127 N 0.59 1.27 -0.54 3.27 1.08 -1.11 0.25 117.51 122.32 3dku h ILE 127 Ca 0.07 -1.22 0.04 0.00 -0.39 0.00 0.00 64.86 63.35 3dku h ILE 127 Cb 0.82 0.89 -0.04 0.00 -3.07 0.00 0.00 36.82 35.42 3dku h ILE 127 CO 0.07 0.44 0.30 0.03 -0.69 0.00 0.00 178.15 178.30 3dku h ARG 128 N 0.94 0.57 -0.83 2.37 3.08 -1.25 0.53 114.38 119.80 3dku h ARG 128 Ca 0.16 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.13 3dku h ARG 128 Cb 0.63 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.51 3dku h ARG 128 CO 0.04 0.38 0.37 0.00 -1.07 0.00 0.00 179.97 179.69 3dku h TYR 130 N 1.19 -0.59 -0.46 0.00 3.20 0.40 -3.00 116.97 117.71 3dku h TYR 130 Ca 0.28 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.24 3dku h TYR 130 Cb 0.16 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 3dku h TYR 130 CO 0.02 -0.31 0.32 1.96 -1.64 0.00 0.00 178.16 178.50 3dku h GLN 131 N -0.76 0.18 0.00 1.82 4.20 0.21 -1.00 115.11 119.77 3dku h GLN 131 Ca -0.07 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.63 3dku h GLN 131 Cb 0.55 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.29 3dku h GLN 131 CO 0.11 0.12 0.00 -1.13 -0.67 0.00 0.00 178.83 177.26 3dku n SER 132 N -4.45 0.00 0.00 1.46 3.41 -0.07 -4.86 113.62 109.10 3dku n SER 132 Ca 0.07 0.46 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 3dku n SER 132 Cb 0.40 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 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 -0.43 1.34 3.64 5.00 0.00 -0.38 -4.98 105.19 109.38 3dku n GLY 133 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 3dku n GLY 133 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3dku s GLN 134 N -0.09 3.93 -0.03 1.61 -2.07 -1.26 -5.00 119.66 116.76 3dku s GLN 134 Ca 0.00 1.93 0.03 0.00 -1.82 0.00 0.00 55.36 55.51 3dku s GLN 134 Cb 0.00 -4.04 -0.00 0.00 -1.09 0.00 0.00 33.01 27.88 3dku s GLN 134 CO 0.00 -1.14 -0.12 1.03 -1.32 0.00 0.00 175.29 173.73 3dku s ARG 135 N 4.50 1.20 0.21 9.60 1.81 -1.26 -4.67 118.95 130.33 3dku s ARG 135 Ca 0.74 -0.43 0.10 0.00 -1.72 0.00 0.00 55.73 54.43 3dku s ARG 135 Cb -0.29 -1.10 -0.05 0.00 -0.45 0.00 0.00 34.95 33.06 3dku s ARG 135 CO 0.30 0.19 -0.20 0.71 -0.68 0.00 0.00 175.30 175.63 3dku s TYR 136 N 0.02 2.06 0.56 -0.53 2.02 0.76 -4.97 117.35 117.27 3dku s TYR 136 Ca -0.01 -0.42 -0.21 0.00 -0.37 0.00 0.00 57.07 56.07 3dku s TYR 136 Cb -0.08 -0.97 -0.04 0.00 -0.40 0.00 0.00 41.96 40.46 3dku s TYR 136 CO 0.01 0.49 1.27 -1.25 -1.57 0.00 0.00 175.55 174.50 3dku s PRO 137 N -3.11 3.12 0.20 -1.71 0.04 -1.26 -1.04 135.00 131.24 3dku s PRO 137 Ca 0.22 2.02 -0.11 0.00 0.04 0.00 0.00 61.00 63.17 3dku s PRO 137 Cb -0.05 -2.13 0.18 0.00 0.04 0.00 0.00 34.50 32.54 3dku s PRO 137 CO 0.10 -1.14 1.81 -0.07 0.04 0.00 0.00 177.00 177.74 3dku h LEU 138 N 1.28 0.52 -1.24 -3.56 3.38 -1.93 -2.19 115.31 111.57 3dku h LEU 138 Ca -0.51 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3dku h LEU 138 Cb 1.30 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3dku h LEU 138 CO 0.57 0.35 0.53 1.05 0.09 0.00 0.00 178.44 181.02 3dku h GLU 139 N 0.65 0.00 -0.59 1.13 4.11 -1.98 -1.78 114.58 116.13 3dku h GLU 139 Ca 0.26 0.00 0.10 0.00 0.07 0.00 0.00 59.36 59.79 3dku h GLU 139 Cb 0.12 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.29 3dku h GLU 139 CO -0.15 0.00 0.17 1.98 0.07 0.00 0.00 179.01 181.08 3dku h MET 140 N 0.00 0.32 -0.20 1.06 4.05 -1.77 -2.63 114.93 115.76 3dku h MET 140 Ca 0.00 -0.02 -0.10 0.00 -0.28 0.00 0.00 59.70 59.30 3dku h MET 140 Cb 1.05 -0.07 -0.06 0.00 -0.80 0.00 0.00 31.60 31.72 3dku h MET 140 CO 0.00 0.21 -0.25 0.44 0.23 0.00 0.00 176.91 177.54 3dku n ILE 141 N -5.06 2.40 -1.61 1.77 -6.64 -0.67 -5.08 119.36 104.46 3dku n ILE 141 Ca 0.08 -2.94 -0.30 0.00 -1.77 0.00 0.00 62.75 57.82 3dku n ILE 141 Cb 0.29 -0.28 0.20 0.00 -1.44 0.00 0.00 39.64 38.41 3dku n ILE 141 CO 0.00 0.00 0.00 -0.83 -1.77 0.00 0.00 176.55 173.95 3dku s GLY 142 N -2.83 1.70 0.73 3.28 0.00 -0.99 -4.88 107.32 104.33 3dku s GLY 142 Ca 0.42 -1.09 -0.08 0.00 0.00 0.00 0.00 44.72 43.96 3dku s GLY 142 CO -0.03 -0.28 1.06 0.51 0.00 0.00 0.00 173.10 174.36 3dku s ASP 143 N -4.50 4.75 -0.16 1.64 3.84 -1.26 -5.09 116.67 115.89 3dku s ASP 143 Ca 0.72 0.57 -0.09 0.00 -0.00 0.00 0.00 52.55 53.76 3dku s ASP 143 Cb -0.06 -1.18 0.06 0.00 -1.38 0.00 0.00 42.92 40.35 3dku s ASP 143 CO 0.54 -1.68 0.38 0.12 -0.00 0.00 0.00 175.17 174.54 3dku s PHE 144 N -3.35 -0.56 -1.59 2.11 5.36 -1.26 -4.88 117.98 113.81 3dku s PHE 144 Ca 0.61 1.21 -0.14 0.00 -0.96 0.00 0.00 56.93 57.64 3dku s PHE 144 Cb -0.11 0.23 0.11 0.00 -0.34 0.00 0.00 43.02 42.91 3dku s PHE 144 CO 0.46 -0.33 0.84 0.09 -1.46 0.00 0.00 175.22 174.83 3dku n ASN 145 N 4.26 -3.67 -4.71 6.13 4.13 -1.26 -4.83 115.26 115.31 3dku n ASN 145 Ca -0.24 -0.90 -0.42 0.00 1.68 0.00 0.00 54.58 54.70 3dku n ASN 145 Cb 0.55 -3.33 -0.03 0.00 -1.54 0.00 0.00 39.78 35.43 3dku n ASN 145 CO 0.00 0.00 0.00 0.86 0.28 0.00 0.00 177.26 178.40 3dku s TRP 146 N -3.36 2.83 -1.76 3.10 -0.00 -1.26 -4.87 118.94 113.62 3dku s TRP 146 Ca 0.62 0.53 0.29 0.00 -0.00 0.00 0.00 56.10 57.55 3dku s TRP 146 Cb -0.33 -3.92 1.31 0.00 -0.00 0.00 0.00 33.47 30.53 3dku s TRP 146 CO 0.88 -3.50 1.90 -0.35 -0.00 0.00 0.00 176.95 175.88 3dku n PRO 147 N 4.62 0.80 -4.26 5.86 -0.04 -1.26 -4.88 135.00 135.84 3dku n PRO 147 Ca 0.14 -0.26 -0.32 0.00 -0.04 0.00 0.00 63.50 63.03 3dku n PRO 147 Cb 0.40 -1.49 -0.09 0.00 -0.04 0.00 0.00 33.50 32.27 3dku n PRO 147 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3dku s PHE 148 N -2.38 3.05 -2.00 0.54 0.08 -1.26 -5.28 117.98 110.73 3dku s PHE 148 Ca 0.32 0.06 0.23 0.00 0.12 0.00 0.00 56.93 57.66 3dku s PHE 148 Cb 0.20 -1.64 1.39 0.00 -0.57 0.00 0.00 43.02 42.40 3dku s PHE 148 CO 0.45 0.46 1.76 -2.37 -0.10 0.00 0.00 175.22 175.42