#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dku s SER 2 N 0.00 2.65 -0.25 1.61 0.15 -1.26 -5.08 113.70 111.53 2dku s SER 2 Ca 0.00 -1.06 -0.16 0.00 0.70 0.00 0.00 55.95 55.43 2dku s SER 2 Cb 0.00 -0.15 -0.13 0.00 -1.71 0.00 0.00 66.02 64.04 2dku s SER 2 CO 0.00 -0.21 -0.22 -0.24 1.20 0.00 0.00 173.24 173.77 2dku n SER 3 N -0.44 1.93 0.00 5.45 2.88 -1.26 -5.08 113.62 117.10 2dku n SER 3 Ca -0.07 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 2dku n SER 3 Cb 0.61 -0.85 0.00 0.00 -0.75 0.00 0.00 64.21 63.22 2dku n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dku n GLY 4 N 1.33 0.78 0.29 0.46 0.00 -1.26 -4.99 105.19 101.80 2dku n GLY 4 Ca -0.43 -0.72 0.07 0.00 0.00 0.00 0.00 46.02 44.94 2dku n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2dku h SER 5 N 0.00 -0.37 -3.41 1.61 4.64 -2.06 -3.39 113.55 110.57 2dku h SER 5 Ca 0.00 0.21 -0.68 0.00 -0.47 0.00 0.00 61.79 60.85 2dku h SER 5 Cb 0.00 0.37 -0.16 0.00 -0.31 0.00 0.00 62.40 62.31 2dku h SER 5 CO 0.00 -0.21 -0.64 -0.94 -0.87 0.00 0.00 176.83 174.17 2dku s SER 6 N -5.16 5.07 0.00 4.97 1.04 -1.26 -5.07 113.70 113.30 2dku s SER 6 Ca -0.13 0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.39 2dku s SER 6 Cb 0.24 -1.38 0.00 0.00 0.10 0.00 0.00 66.02 64.98 2dku s SER 6 CO 0.76 0.37 0.00 0.61 0.98 0.00 0.00 173.24 175.96 2dku n GLY 7 N 2.09 4.37 3.83 7.32 0.00 -1.26 -5.13 105.19 116.41 2dku n GLY 7 Ca -0.18 -0.83 -0.38 0.00 0.00 0.00 0.00 46.02 44.63 2dku n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dku s ALA 8 N -1.61 3.69 0.51 4.61 0.00 -1.26 -5.08 121.76 122.62 2dku s ALA 8 Ca 0.00 -0.23 -0.09 0.00 0.00 0.00 0.00 51.96 51.63 2dku s ALA 8 Cb 0.00 -2.39 -0.05 0.00 0.00 0.00 0.00 23.12 20.68 2dku s ALA 8 CO 0.00 0.45 0.88 -0.80 0.00 0.00 0.00 175.76 176.29 2dku s ASN 9 N -0.95 6.35 0.37 0.00 -0.87 -1.26 -4.96 114.94 113.62 2dku s ASN 9 Ca 0.23 1.19 -0.06 0.00 -1.57 0.00 0.00 52.86 52.65 2dku s ASN 9 Cb -0.16 -2.36 0.03 0.00 -0.02 0.00 0.00 41.25 38.73 2dku s ASN 9 CO 0.13 -0.62 0.59 0.00 -2.57 0.00 0.00 177.10 174.62 2dku s PHE 11 N -2.68 3.33 0.27 0.00 0.40 -1.26 -2.34 117.98 115.69 2dku s PHE 11 Ca 0.25 -2.32 0.06 0.00 -0.60 0.00 0.00 56.93 54.31 2dku s PHE 11 Cb -0.02 -2.09 0.35 0.00 0.51 0.00 0.00 43.02 41.77 2dku s PHE 11 CO 0.18 -0.88 1.63 1.79 0.70 0.00 0.00 175.22 178.64 2dku h THR 12 N 6.69 1.36 -3.06 0.64 1.35 -1.82 -3.40 112.91 114.67 2dku h THR 12 Ca -0.18 -1.79 -0.57 0.00 -0.55 0.00 0.00 66.41 63.32 2dku h THR 12 Cb 1.04 1.87 -0.40 0.00 -1.73 0.00 0.00 68.15 68.94 2dku h THR 12 CO 0.48 0.53 -0.76 -1.61 -0.25 0.00 0.00 175.52 173.91 2dku s GLU 13 N -3.92 0.63 0.80 4.72 2.02 -1.25 -5.02 118.70 116.69 2dku s GLU 13 Ca -0.04 -1.02 -0.13 0.00 0.02 0.00 0.00 54.97 53.80 2dku s GLU 13 Cb 0.13 -1.83 0.08 0.00 0.10 0.00 0.00 34.13 32.60 2dku s GLU 13 CO 0.78 -1.01 1.18 -1.21 0.02 0.00 0.00 175.26 175.02 2dku s GLU 14 N 1.64 1.75 1.29 1.61 2.02 -1.26 -2.31 118.70 123.44 2dku s GLU 14 Ca 0.10 1.63 -0.17 0.00 0.02 0.00 0.00 54.97 56.55 2dku s GLU 14 Cb -0.17 -1.80 0.32 0.00 0.10 0.00 0.00 34.13 32.57 2dku s GLU 14 CO -0.26 -2.10 0.88 1.28 0.02 0.00 0.00 175.26 175.08 2dku n LEU 15 N -3.33 -1.43 -3.84 1.80 4.77 -1.26 -4.88 117.00 108.83 2dku n LEU 15 Ca 0.12 -0.44 -0.16 0.00 -0.03 0.00 0.00 56.01 55.51 2dku n LEU 15 Cb 0.51 -1.13 -0.16 0.00 -2.33 0.00 0.00 43.42 40.31 2dku n LEU 15 CO 0.49 -3.79 -0.37 0.28 -1.33 0.00 0.00 177.39 172.67 2dku s THR 16 N -2.28 0.16 -0.28 -5.08 -1.32 -1.26 -4.92 115.64 100.67 2dku s THR 16 Ca 0.67 0.05 -0.40 0.00 -1.21 0.00 0.00 61.69 60.80 2dku s THR 16 Cb -0.20 -0.23 -0.15 0.00 -1.51 0.00 0.00 72.50 70.40 2dku s THR 16 CO 0.62 0.12 1.79 0.59 -2.21 0.00 0.00 174.62 175.53 2dku n ASN 17 N 3.87 2.41 -4.86 8.08 3.02 -1.26 -4.82 115.26 121.70 2dku n ASN 17 Ca -0.24 1.02 -0.34 0.00 -0.03 0.00 0.00 54.58 55.00 2dku n ASN 17 Cb 0.52 -1.15 -0.06 0.00 -0.61 0.00 0.00 39.78 38.48 2dku n ASN 17 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2dku s LEU 18 N 3.89 4.20 -0.11 3.41 1.43 -1.09 -5.00 118.68 125.42 2dku s LEU 18 Ca 0.99 0.28 -0.01 0.00 -1.03 0.00 0.00 54.13 54.37 2dku s LEU 18 Cb -1.05 -2.44 0.03 0.00 0.03 0.00 0.00 46.19 42.76 2dku s LEU 18 CO 0.64 0.28 -0.02 -1.58 0.23 0.00 0.00 176.35 175.90 2dku s GLN 19 N -1.78 0.96 0.04 1.70 -0.44 -1.26 -0.74 119.66 118.13 2dku s GLN 19 Ca 0.25 -0.12 -0.12 0.00 -2.50 0.00 0.00 55.36 52.86 2dku s GLN 19 Cb -0.12 -1.39 0.01 0.00 -1.64 0.00 0.00 33.01 29.87 2dku s GLN 19 CO 0.16 -0.35 0.26 0.08 0.50 0.00 0.00 175.29 175.94 2dku s VAL 20 N 1.85 0.09 0.26 1.34 1.01 -0.56 -4.99 120.40 119.40 2dku s VAL 20 Ca 0.04 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 60.98 2dku s VAL 20 Cb -0.13 -0.91 -0.09 0.00 0.00 0.00 0.00 36.38 35.25 2dku s VAL 20 CO -0.07 -0.41 1.19 -1.61 0.00 0.00 0.00 175.10 174.20 2dku s GLU 21 N -2.48 4.51 1.00 2.72 8.01 -1.26 -1.78 118.70 129.43 2dku s GLU 21 Ca -0.06 1.93 -0.19 0.00 0.01 0.00 0.00 54.97 56.67 2dku s GLU 21 Cb -0.01 -3.18 -0.15 0.00 -4.31 0.00 0.00 34.13 26.48 2dku s GLU 21 CO -0.03 -0.00 -0.90 -0.85 0.01 0.00 0.00 175.26 173.49 2dku n GLU 22 N 1.62 -0.03 -2.66 1.61 0.28 -1.21 -2.21 120.64 118.04 2dku n GLU 22 Ca 0.01 -0.01 -0.17 0.00 -0.16 0.00 0.00 57.16 56.83 2dku n GLU 22 Cb 0.44 -1.04 -0.00 0.00 1.43 0.00 0.00 31.44 32.27 2dku n GLU 22 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2dku n LYS 23 N 2.29 -2.67 0.00 3.44 4.76 0.53 -4.84 118.16 121.66 2dku n LYS 23 Ca -0.02 0.71 0.00 0.00 -2.87 0.00 0.00 58.31 56.14 2dku n LYS 23 Cb 0.60 -5.38 0.00 0.00 -1.84 0.00 0.00 35.03 28.41 2dku n LYS 23 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dku n GLY 24 N -1.01 1.08 3.38 0.72 0.00 -0.94 -4.71 105.19 103.72 2dku n GLY 24 Ca -0.14 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.90 2dku n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dku s THR 25 N 3.25 -0.78 -0.22 2.61 2.01 -1.26 -3.44 115.64 117.82 2dku s THR 25 Ca 0.00 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 61.95 2dku s THR 25 Cb 0.00 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.49 2dku s THR 25 CO 0.00 0.00 -0.02 0.00 -0.69 0.00 0.00 174.62 173.91 2dku s ALA 26 N 2.78 2.92 -0.39 7.40 0.00 0.46 -4.92 121.76 130.01 2dku s ALA 26 Ca 0.03 -1.11 -0.04 0.00 0.00 0.00 0.00 51.96 50.84 2dku s ALA 26 Cb -0.11 -1.77 0.09 0.00 0.00 0.00 0.00 23.12 21.34 2dku s ALA 26 CO -0.18 -0.35 0.18 0.08 0.00 0.00 0.00 175.76 175.49 2dku s VAL 27 N 1.35 3.40 -0.74 0.00 1.01 -1.26 -0.26 120.40 123.89 2dku s VAL 27 Ca 0.04 -1.82 -0.26 0.00 0.00 0.00 0.00 61.98 59.94 2dku s VAL 27 Cb -0.14 -3.22 0.01 0.00 0.00 0.00 0.00 36.38 33.03 2dku s VAL 27 CO -0.01 -0.55 1.52 -0.36 0.00 0.00 0.00 175.10 175.71 2dku s PHE 28 N 1.21 2.08 0.01 5.22 0.08 -0.96 -4.83 117.98 120.78 2dku s PHE 28 Ca 0.05 0.17 -0.18 0.00 0.12 0.00 0.00 56.93 57.09 2dku s PHE 28 Cb -0.22 -4.43 -0.06 0.00 -0.57 0.00 0.00 43.02 37.74 2dku s PHE 28 CO -0.03 -2.11 0.50 0.95 -0.10 0.00 0.00 175.22 174.43 2dku s THR 29 N 6.98 4.93 0.30 0.64 -4.23 -1.26 -2.23 115.64 120.77 2dku s THR 29 Ca 0.48 1.05 -0.04 0.00 -1.18 0.00 0.00 61.69 62.01 2dku s THR 29 Cb -0.08 -3.83 -0.01 0.00 1.34 0.00 0.00 72.50 69.92 2dku s THR 29 CO 0.13 0.51 0.41 0.00 -0.54 0.00 0.00 174.62 175.13 2dku s LYS 31 N -3.44 0.69 0.07 0.00 2.20 -0.98 -2.14 119.74 116.14 2dku s LYS 31 Ca 0.31 -1.20 -0.07 0.00 -0.36 0.00 0.00 55.97 54.64 2dku s LYS 31 Cb 0.01 0.24 -0.01 0.00 -1.51 0.00 0.00 37.83 36.56 2dku s LYS 31 CO 0.17 -0.16 0.14 0.95 -0.36 0.00 0.00 175.35 176.10 2dku s THR 32 N -3.93 0.15 0.07 3.43 -4.23 -1.00 -3.26 115.64 106.88 2dku s THR 32 Ca 0.09 -1.27 -0.16 0.00 -1.18 0.00 0.00 61.69 59.18 2dku s THR 32 Cb 0.07 -1.29 -0.16 0.00 1.34 0.00 0.00 72.50 72.47 2dku s THR 32 CO -0.09 -0.70 1.28 -0.08 -0.54 0.00 0.00 174.62 174.50 2dku h GLU 33 N 2.98 0.64 -6.69 3.99 4.57 -1.79 -3.43 114.58 114.86 2dku h GLU 33 Ca -0.34 -0.49 -0.65 0.00 -1.18 0.00 0.00 59.36 56.70 2dku h GLU 33 Cb 1.19 0.09 -0.21 0.00 -0.16 0.00 0.00 28.75 29.65 2dku h GLU 33 CO 0.57 1.11 -0.85 -1.01 -1.18 0.00 0.00 179.01 177.64 2dku s HIS 34 N -3.81 2.18 -0.67 0.92 3.76 -1.26 -5.01 115.29 111.39 2dku s HIS 34 Ca -0.12 -0.39 -0.26 0.00 -0.15 0.00 0.00 55.06 54.14 2dku s HIS 34 Cb 0.07 -1.17 -0.03 0.00 1.11 0.00 0.00 32.58 32.56 2dku s HIS 34 CO 0.85 0.33 1.88 -1.25 -0.85 0.00 0.00 174.74 175.70 2dku s PRO 35 N -2.11 2.61 0.36 8.40 0.04 -1.26 -4.92 135.00 138.12 2dku s PRO 35 Ca 0.13 0.43 -0.28 0.00 0.04 0.00 0.00 61.00 61.31 2dku s PRO 35 Cb -0.10 -4.53 -0.11 0.00 0.04 0.00 0.00 34.50 29.80 2dku s PRO 35 CO 0.06 -2.87 1.47 0.00 0.04 0.00 0.00 177.00 175.70 2dku n ALA 36 N 13.02 2.25 0.22 8.56 0.00 -1.26 -4.90 120.51 138.40 2dku n ALA 36 Ca 0.24 0.35 0.11 0.00 0.00 0.00 0.00 53.44 54.14 2dku n ALA 36 Cb 0.51 -2.40 0.31 0.00 0.00 0.00 0.00 19.45 17.87 2dku n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dku h ALA 37 N 3.09 0.94 -2.27 0.00 0.00 -1.93 -3.46 119.26 115.64 2dku h ALA 37 Ca -0.50 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.19 2dku h ALA 37 Cb 1.25 -0.02 -0.19 0.00 0.00 0.00 0.00 17.79 18.82 2dku h ALA 37 CO 0.65 0.18 -0.03 -0.08 0.00 0.00 0.00 179.25 179.98 2dku s THR 38 N -3.35 0.03 -0.04 0.00 -1.32 -1.26 -5.17 115.64 104.53 2dku s THR 38 Ca 0.04 -0.23 0.01 0.00 -1.21 0.00 0.00 61.69 60.29 2dku s THR 38 Cb 0.07 -0.83 0.02 0.00 -1.51 0.00 0.00 72.50 70.25 2dku s THR 38 CO 0.65 -0.13 -0.03 -0.69 -2.21 0.00 0.00 174.62 172.21 2dku s VAL 39 N -1.37 0.41 -0.31 5.08 1.01 -1.26 -4.49 120.40 119.46 2dku s VAL 39 Ca -0.12 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 61.82 2dku s VAL 39 Cb -0.02 -0.45 0.09 0.00 0.00 0.00 0.00 36.38 36.00 2dku s VAL 39 CO 0.06 0.19 0.04 -0.89 0.00 0.00 0.00 175.10 174.51 2dku s THR 40 N 0.86 1.76 0.56 3.92 2.01 0.79 -4.99 115.64 120.55 2dku s THR 40 Ca -0.10 -1.89 -0.16 0.00 0.31 0.00 0.00 61.69 59.85 2dku s THR 40 Cb -0.13 -2.25 -0.06 0.00 0.01 0.00 0.00 72.50 70.07 2dku s THR 40 CO -0.00 -0.53 1.02 0.26 -0.69 0.00 0.00 174.62 174.68 2dku s TRP 41 N 1.19 3.24 -0.03 4.92 0.52 -1.26 -2.17 118.94 125.35 2dku s TRP 41 Ca 0.08 1.48 0.01 0.00 0.02 0.00 0.00 56.10 57.69 2dku s TRP 41 Cb -0.18 -2.89 0.01 0.00 -1.15 0.00 0.00 33.47 29.26 2dku s TRP 41 CO -0.13 -0.74 -0.04 0.50 0.02 0.00 0.00 176.95 176.56 2dku s ARG 42 N -4.14 0.65 -0.18 4.98 3.52 -0.03 -1.26 118.95 122.49 2dku s ARG 42 Ca 0.61 -0.12 0.01 0.00 -0.13 0.00 0.00 55.73 56.10 2dku s ARG 42 Cb -0.13 -0.67 0.03 0.00 -1.56 0.00 0.00 34.95 32.62 2dku s ARG 42 CO 0.35 -0.01 -0.16 0.21 -0.81 0.00 0.00 175.30 174.88 2dku s LYS 43 N 0.56 2.59 -0.98 5.12 2.20 0.17 -0.62 119.74 128.78 2dku s LYS 43 Ca -0.07 -0.76 -0.13 0.00 -0.36 0.00 0.00 55.97 54.65 2dku s LYS 43 Cb -0.10 -2.40 0.00 0.00 -1.51 0.00 0.00 37.83 33.82 2dku s LYS 43 CO -0.00 -0.27 0.70 0.41 -0.36 0.00 0.00 175.35 175.83 2dku n GLY 44 N 4.67 -1.12 3.78 5.54 0.00 -1.20 -1.15 105.19 115.71 2dku n GLY 44 Ca -0.18 0.49 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 2dku n GLY 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dku n LEU 45 N -3.39 -2.15 -3.93 0.99 4.32 -1.26 -4.96 117.00 106.62 2dku n LEU 45 Ca -0.16 -0.70 -0.11 0.00 -0.02 0.00 0.00 56.01 55.03 2dku n LEU 45 Cb 0.61 -2.39 -0.13 0.00 -1.62 0.00 0.00 43.42 39.89 2dku n LEU 45 CO 0.65 0.35 -0.37 -0.22 -1.22 0.00 0.00 177.39 176.58 2dku s LEU 46 N -7.05 2.11 -0.08 2.23 2.96 -0.30 -5.14 118.68 113.41 2dku s LEU 46 Ca 0.60 -0.24 -0.25 0.00 -0.22 0.00 0.00 54.13 54.02 2dku s LEU 46 Cb -0.31 0.00 -0.03 0.00 0.50 0.00 0.00 46.19 46.35 2dku s LEU 46 CO 0.74 -0.12 0.76 -0.70 -1.32 0.00 0.00 176.35 175.70 2dku s GLU 47 N -0.69 4.42 0.31 1.98 2.12 -1.26 0.42 118.70 126.00 2dku s GLU 47 Ca -0.07 0.97 -0.01 0.00 0.36 0.00 0.00 54.97 56.22 2dku s GLU 47 Cb -0.05 -3.48 -0.04 0.00 0.26 0.00 0.00 34.13 30.83 2dku s GLU 47 CO -0.00 -0.03 0.53 -0.51 -0.54 0.00 0.00 175.26 174.70 2dku s LEU 48 N 1.10 4.06 0.10 2.70 1.43 -0.39 -4.89 118.68 122.79 2dku s LEU 48 Ca 0.39 0.52 0.02 0.00 -1.03 0.00 0.00 54.13 54.04 2dku s LEU 48 Cb -0.18 -3.36 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 2dku s LEU 48 CO 0.18 -0.23 -0.07 -0.13 0.23 0.00 0.00 176.35 176.34 2dku s ARG 49 N -3.92 0.82 -0.57 1.70 0.52 -1.26 -4.59 118.95 111.64 2dku s ARG 49 Ca 0.41 -1.29 -0.27 0.00 -0.52 0.00 0.00 55.73 54.06 2dku s ARG 49 Cb -0.10 -0.25 -0.01 0.00 0.52 0.00 0.00 34.95 35.11 2dku s ARG 49 CO 0.33 -0.00 1.68 0.00 0.02 0.00 0.00 175.30 177.33 2dku s ALA 50 N -3.37 2.49 0.33 2.13 0.00 -1.23 -4.20 121.76 117.91 2dku s ALA 50 Ca 0.10 -0.60 -0.14 0.00 0.00 0.00 0.00 51.96 51.32 2dku s ALA 50 Cb 0.04 -4.21 0.03 0.00 0.00 0.00 0.00 23.12 18.98 2dku s ALA 50 CO -0.04 -3.41 0.65 -1.12 0.00 0.00 0.00 175.76 171.85 2dku s SER 51 N 6.42 0.12 0.37 0.00 0.01 0.17 -4.95 113.70 115.85 2dku s SER 51 Ca 0.62 -1.06 0.21 0.00 1.31 0.00 0.00 55.95 57.03 2dku s SER 51 Cb -0.13 0.74 1.30 0.00 0.21 0.00 0.00 66.02 68.14 2dku s SER 51 CO 0.23 -1.44 1.61 1.23 0.41 0.00 0.00 173.24 175.28 2dku h GLY 52 N 2.07 2.08 0.03 3.44 0.00 -1.99 -2.21 103.07 106.49 2dku h GLY 52 Ca -0.27 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 2dku h GLY 52 CO 0.35 -0.67 -0.01 1.70 0.00 0.00 0.00 176.54 177.91 2dku h LYS 53 N 0.10 -0.04 -4.15 4.80 1.63 -1.91 -3.43 116.57 113.57 2dku h LYS 53 Ca 0.82 0.00 -0.73 0.00 -0.85 0.00 0.00 60.65 59.89 2dku h LYS 53 Cb 2.16 0.01 -0.29 0.00 -0.60 0.00 0.00 32.23 33.51 2dku h LYS 53 CO -0.67 -0.03 -0.31 -1.01 -3.45 0.00 0.00 179.45 173.98 2dku s HIS 54 N -1.90 3.44 -0.69 1.91 3.76 -0.85 -3.22 115.29 117.74 2dku s HIS 54 Ca -0.01 -1.88 -0.05 0.00 -0.15 0.00 0.00 55.06 52.97 2dku s HIS 54 Cb 0.00 -3.55 0.18 0.00 1.11 0.00 0.00 32.58 30.32 2dku s HIS 54 CO 0.02 -0.98 0.53 -1.14 -0.85 0.00 0.00 174.74 172.31 2dku s GLN 55 N 1.14 2.82 1.15 1.40 -0.44 -1.06 -0.65 119.66 124.02 2dku s GLN 55 Ca 0.08 -2.58 -0.17 0.00 -2.50 0.00 0.00 55.36 50.19 2dku s GLN 55 Cb -0.25 -3.88 0.26 0.00 -1.64 0.00 0.00 33.01 27.50 2dku s GLN 55 CO -0.01 -1.20 1.10 -1.25 0.50 0.00 0.00 175.29 174.43 2dku s PRO 56 N -0.12 -0.78 0.31 1.67 0.04 -1.26 -3.10 135.00 131.75 2dku s PRO 56 Ca 0.18 0.09 -0.13 0.00 0.04 0.00 0.00 61.00 61.18 2dku s PRO 56 Cb -0.18 -1.63 0.01 0.00 0.04 0.00 0.00 34.50 32.75 2dku s PRO 56 CO -0.05 -3.45 0.59 -1.12 0.04 0.00 0.00 177.00 173.01 2dku s SER 57 N -3.77 0.13 -0.18 6.66 0.01 -0.70 -4.92 113.70 110.93 2dku s SER 57 Ca 0.69 -1.05 -0.04 0.00 1.31 0.00 0.00 55.95 56.86 2dku s SER 57 Cb -0.12 0.69 0.08 0.00 0.21 0.00 0.00 66.02 66.88 2dku s SER 57 CO 0.57 -1.34 0.20 -1.58 0.41 0.00 0.00 173.24 171.49 2dku s GLN 58 N -3.39 0.15 -0.54 12.44 0.74 -1.26 -4.04 119.66 123.75 2dku s GLN 58 Ca 0.21 0.24 0.04 0.00 0.05 0.00 0.00 55.36 55.89 2dku s GLN 58 Cb -0.03 -1.11 0.14 0.00 1.10 0.00 0.00 33.01 33.12 2dku s GLN 58 CO 0.12 -0.59 0.32 -1.21 -0.55 0.00 0.00 175.29 173.37 2dku s GLU 59 N 2.30 1.86 3.84 1.67 2.02 0.23 -5.03 118.70 125.60 2dku s GLU 59 Ca 0.05 -2.62 0.00 0.00 0.02 0.00 0.00 54.97 52.42 2dku s GLU 59 Cb -0.15 -2.98 0.00 0.00 0.10 0.00 0.00 34.13 31.10 2dku s GLU 59 CO -0.11 -1.18 0.00 0.41 0.02 0.00 0.00 175.26 174.40 2dku n GLY 60 N 2.91 1.03 1.43 -1.39 0.00 -1.26 0.30 105.19 108.20 2dku n GLY 60 Ca 0.11 0.56 0.03 0.00 0.00 0.00 0.00 46.02 46.72 2dku n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dku n LEU 61 N 0.00 4.90 -3.85 0.99 4.77 -1.26 -4.40 117.00 118.15 2dku n LEU 61 Ca 0.00 -3.14 -0.22 0.00 -0.03 0.00 0.00 56.01 52.62 2dku n LEU 61 Cb 0.00 -0.64 -0.17 0.00 -2.33 0.00 0.00 43.42 40.28 2dku n LEU 61 CO 0.00 0.76 -0.40 -0.89 -1.33 0.00 0.00 177.39 175.53 2dku s THR 62 N -2.91 0.53 0.15 -5.08 2.01 0.15 -2.36 115.64 108.12 2dku s THR 62 Ca 0.49 -0.05 0.11 0.00 0.31 0.00 0.00 61.69 62.55 2dku s THR 62 Cb 0.39 -0.60 -0.04 0.00 0.01 0.00 0.00 72.50 72.26 2dku s THR 62 CO 0.11 0.25 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.28 2dku s LEU 63 N 1.40 2.36 -0.10 4.42 1.43 -0.91 -0.60 118.68 126.68 2dku s LEU 63 Ca -0.03 -0.78 -0.21 0.00 -1.03 0.00 0.00 54.13 52.08 2dku s LEU 63 Cb -0.13 -1.15 0.05 0.00 0.03 0.00 0.00 46.19 44.98 2dku s LEU 63 CO -0.03 0.14 0.51 0.00 0.23 0.00 0.00 176.35 177.20 2dku s ARG 64 N -2.25 0.76 -0.28 1.70 1.70 -1.26 -0.70 118.95 118.62 2dku s ARG 64 Ca 0.15 0.33 0.02 0.00 -0.47 0.00 0.00 55.73 55.76 2dku s ARG 64 Cb -0.09 0.36 0.08 0.00 -0.57 0.00 0.00 34.95 34.72 2dku s ARG 64 CO 0.07 -0.18 -0.00 -1.17 -1.08 0.00 0.00 175.30 172.94 2dku s LEU 65 N -0.61 3.23 -0.11 -1.89 2.96 -0.95 -1.72 118.68 119.60 2dku s LEU 65 Ca -0.07 -1.56 -0.30 0.00 -0.22 0.00 0.00 54.13 51.98 2dku s LEU 65 Cb -0.03 -1.29 -0.02 0.00 0.50 0.00 0.00 46.19 45.35 2dku s LEU 65 CO 0.04 -0.30 1.14 -0.89 -1.32 0.00 0.00 176.35 175.02 2dku s THR 66 N 1.26 4.44 -0.16 3.68 2.01 -1.18 -2.28 115.64 123.43 2dku s THR 66 Ca 0.01 1.75 0.02 0.00 0.31 0.00 0.00 61.69 63.78 2dku s THR 66 Cb -0.19 -4.12 0.01 0.00 0.01 0.00 0.00 72.50 68.21 2dku s THR 66 CO -0.10 -0.04 -0.20 -0.63 -0.69 0.00 0.00 174.62 172.96 2dku s ILE 67 N 2.49 2.14 0.35 1.82 1.01 0.64 -2.55 121.20 127.10 2dku s ILE 67 Ca 0.52 -0.94 0.08 0.00 0.00 0.00 0.00 60.65 60.32 2dku s ILE 67 Cb -0.21 -1.88 -0.05 0.00 0.01 0.00 0.00 42.46 40.33 2dku s ILE 67 CO 0.18 0.54 0.11 -0.44 0.00 0.00 0.00 174.94 175.33 2dku s SER 68 N 0.98 4.47 -0.92 3.58 0.01 -1.20 -0.40 113.70 120.23 2dku s SER 68 Ca -0.03 -0.90 -0.04 0.00 1.31 0.00 0.00 55.95 56.29 2dku s SER 68 Cb -0.15 -0.62 0.00 0.00 0.21 0.00 0.00 66.02 65.47 2dku s SER 68 CO -0.05 -0.33 0.79 0.00 0.41 0.00 0.00 173.24 174.05 2dku n ALA 69 N -1.11 -1.15 -0.61 1.44 0.00 -1.22 -4.88 120.51 112.98 2dku n ALA 69 Ca -0.03 0.15 -0.30 0.00 0.00 0.00 0.00 53.44 53.26 2dku n ALA 69 Cb 0.62 -3.13 0.20 0.00 0.00 0.00 0.00 19.45 17.15 2dku n ALA 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2dku s LEU 70 N -5.31 2.07 -0.05 0.00 1.43 -1.26 -4.70 118.68 110.87 2dku s LEU 70 Ca 0.24 1.96 -0.30 0.00 -1.03 0.00 0.00 54.13 55.00 2dku s LEU 70 Cb -0.11 -4.15 0.11 0.00 0.03 0.00 0.00 46.19 42.07 2dku s LEU 70 CO 0.52 -3.57 0.93 -1.83 0.23 0.00 0.00 176.35 172.62 2dku s GLU 71 N -4.56 0.75 0.44 1.70 -1.05 -1.26 -0.35 118.70 114.36 2dku s GLU 71 Ca 0.68 -0.20 0.35 0.00 -0.15 0.00 0.00 54.97 55.64 2dku s GLU 71 Cb -0.24 0.35 1.45 0.00 -0.44 0.00 0.00 34.13 35.25 2dku s GLU 71 CO 0.61 -0.31 1.45 1.63 0.95 0.00 0.00 175.26 179.59 2dku n LYS 72 N -0.05 -0.02 -0.03 -4.83 4.76 -1.26 0.15 118.16 116.86 2dku n LYS 72 Ca -0.08 1.13 -0.12 0.00 -2.87 0.00 0.00 58.31 56.36 2dku n LYS 72 Cb 0.61 -2.31 -0.07 0.00 -1.84 0.00 0.00 35.03 31.42 2dku n LYS 72 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2dku h ALA 73 N 1.34 0.15 -1.00 7.82 0.00 -1.98 -2.99 119.26 122.59 2dku h ALA 73 Ca 0.84 -0.17 0.41 0.00 0.00 0.00 0.00 54.91 55.98 2dku h ALA 73 Cb 2.88 -0.04 -0.18 0.00 0.00 0.00 0.00 17.79 20.45 2dku h ALA 73 CO -0.32 -0.19 0.53 -0.44 0.00 0.00 0.00 179.25 178.83 2dku h ASP 74 N -0.06 0.32 -0.62 0.00 5.19 0.93 -3.38 116.42 118.80 2dku h ASP 74 Ca 0.03 0.25 -0.48 0.00 -0.62 0.00 0.00 57.03 56.22 2dku h ASP 74 Cb 0.32 0.26 -0.05 0.00 0.18 0.00 0.00 39.33 40.04 2dku h ASP 74 CO 0.00 -0.40 1.70 -1.20 -3.12 0.00 0.00 179.24 176.22 2dku n SER 75 N -5.24 1.06 -2.82 6.45 7.64 -1.13 -4.77 113.62 114.81 2dku n SER 75 Ca 0.37 -0.11 -0.03 0.00 1.01 0.00 0.00 58.87 60.11 2dku n SER 75 Cb 1.24 -1.18 0.02 0.00 -1.01 0.00 0.00 64.21 63.28 2dku n SER 75 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2dku n ASP 76 N 12.62 -1.41 -4.59 6.43 2.03 -1.26 -4.99 116.55 125.39 2dku n ASP 76 Ca 0.55 -1.75 -0.38 0.00 0.52 0.00 0.00 54.79 53.72 2dku n ASP 76 Cb 0.23 2.29 -0.10 0.00 -0.72 0.00 0.00 41.12 42.82 2dku n ASP 76 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2dku s THR 77 N -2.17 5.26 0.07 5.18 2.01 -1.26 -2.60 115.64 122.13 2dku s THR 77 Ca 0.18 0.30 -0.05 0.00 0.31 0.00 0.00 61.69 62.43 2dku s THR 77 Cb -0.02 -3.59 -0.05 0.00 0.01 0.00 0.00 72.50 68.85 2dku s THR 77 CO 0.05 0.22 0.31 -0.31 -0.69 0.00 0.00 174.62 174.19 2dku s TYR 78 N 1.87 3.54 -0.23 4.92 1.51 -0.79 -3.25 117.35 124.92 2dku s TYR 78 Ca 0.10 0.55 -0.00 0.00 -1.01 0.00 0.00 57.07 56.71 2dku s TYR 78 Cb -0.16 -1.98 0.06 0.00 -0.11 0.00 0.00 41.96 39.77 2dku s TYR 78 CO 0.11 0.54 -0.03 0.99 -1.11 0.00 0.00 175.55 176.05 2dku s THR 79 N -1.46 1.31 -0.50 -0.71 2.01 0.21 -2.53 115.64 113.97 2dku s THR 79 Ca 0.34 -1.10 -0.23 0.00 0.31 0.00 0.00 61.69 61.01 2dku s THR 79 Cb -0.13 -1.64 0.04 0.00 0.01 0.00 0.00 72.50 70.77 2dku s THR 79 CO 0.21 -0.15 0.80 0.00 -0.69 0.00 0.00 174.62 174.79 2dku s ASP 81 N 2.48 6.25 -0.01 0.00 -1.08 -0.92 -1.02 116.67 122.36 2dku s ASP 81 Ca 0.27 0.39 0.06 0.00 -0.52 0.00 0.00 52.55 52.74 2dku s ASP 81 Cb -0.14 -2.03 -0.09 0.00 -1.46 0.00 0.00 42.92 39.20 2dku s ASP 81 CO 0.19 0.36 0.13 2.30 0.52 0.00 0.00 175.17 178.66 2dku n ILE 82 N 2.34 0.02 0.00 4.11 -5.35 -1.03 -0.15 119.36 119.30 2dku n ILE 82 Ca -0.19 -0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.15 2dku n ILE 82 Cb 0.54 0.31 0.00 0.00 -1.74 0.00 0.00 39.64 38.75 2dku n ILE 82 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2dku n GLY 83 N 2.19 4.41 0.16 3.28 0.00 -1.26 -4.49 105.19 109.47 2dku n GLY 83 Ca -0.01 -0.71 -0.16 0.00 0.00 0.00 0.00 46.02 45.13 2dku n GLY 83 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2dku n GLN 84 N 0.00 0.48 -4.52 1.61 -0.06 -1.26 -5.06 117.38 108.57 2dku n GLN 84 Ca 0.00 0.13 -0.25 0.00 -2.00 0.00 0.00 57.00 54.89 2dku n GLN 84 Cb 0.00 -1.36 -0.09 0.00 -4.06 0.00 0.00 30.24 24.73 2dku n GLN 84 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2dku s ALA 85 N -2.39 2.81 -0.09 1.69 0.00 -1.26 -4.97 121.76 117.54 2dku s ALA 85 Ca -0.27 -1.59 -0.10 0.00 0.00 0.00 0.00 51.96 50.00 2dku s ALA 85 Cb 0.08 0.59 0.03 0.00 0.00 0.00 0.00 23.12 23.82 2dku s ALA 85 CO 0.43 -0.28 0.28 -0.65 0.00 0.00 0.00 175.76 175.55 2dku s GLN 86 N -3.82 0.38 0.62 0.00 1.11 -1.26 -2.46 119.66 114.23 2dku s GLN 86 Ca 0.28 0.30 0.07 0.00 0.01 0.00 0.00 55.36 56.03 2dku s GLN 86 Cb 0.06 0.18 0.10 0.00 -1.01 0.00 0.00 33.01 32.34 2dku s GLN 86 CO 0.14 -0.06 0.85 0.45 0.01 0.00 0.00 175.29 176.68 2dku s SER 87 N -0.07 4.88 -0.15 5.90 0.15 -0.19 -4.89 113.70 119.33 2dku s SER 87 Ca -0.02 -0.72 -0.20 0.00 0.70 0.00 0.00 55.95 55.71 2dku s SER 87 Cb -0.03 0.22 0.05 0.00 -1.71 0.00 0.00 66.02 64.55 2dku s SER 87 CO 0.01 -1.49 0.53 -0.13 1.20 0.00 0.00 173.24 173.35 2dku s ARG 88 N -4.80 0.71 -0.21 5.44 0.52 -1.26 -2.80 118.95 116.55 2dku s ARG 88 Ca 0.63 0.53 -0.25 0.00 -0.52 0.00 0.00 55.73 56.12 2dku s ARG 88 Cb -0.06 0.34 0.07 0.00 0.52 0.00 0.00 34.95 35.82 2dku s ARG 88 CO 0.40 -0.13 0.67 0.00 0.02 0.00 0.00 175.30 176.27 2dku s ALA 89 N -0.21 -1.69 -0.17 2.13 0.00 -1.05 -4.37 121.76 116.41 2dku s ALA 89 Ca -0.04 1.78 -0.08 0.00 0.00 0.00 0.00 51.96 53.61 2dku s ALA 89 Cb -0.03 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 2dku s ALA 89 CO 0.03 -0.33 0.11 -0.65 0.00 0.00 0.00 175.76 174.92 2dku s GLN 90 N 0.03 3.87 0.12 0.00 -0.21 -1.26 -1.89 119.66 120.32 2dku s GLN 90 Ca -0.02 -0.23 0.04 0.00 0.02 0.00 0.00 55.36 55.17 2dku s GLN 90 Cb -0.04 -3.28 -0.04 0.00 1.00 0.00 0.00 33.01 30.65 2dku s GLN 90 CO 0.03 0.46 0.12 -1.17 -2.12 0.00 0.00 175.29 172.61 2dku s LEU 91 N -0.11 3.87 -0.11 2.90 2.96 -1.07 -2.65 118.68 124.47 2dku s LEU 91 Ca 0.09 -0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 53.97 2dku s LEU 91 Cb -0.12 -2.51 0.03 0.00 0.50 0.00 0.00 46.19 44.09 2dku s LEU 91 CO 0.00 0.12 -0.05 -0.22 -1.32 0.00 0.00 176.35 174.89 2dku s LEU 92 N -2.74 1.08 -0.79 -0.68 2.96 0.08 -4.08 118.68 114.50 2dku s LEU 92 Ca 0.31 -0.31 -0.15 0.00 -0.22 0.00 0.00 54.13 53.76 2dku s LEU 92 Cb -0.11 -0.74 0.18 0.00 0.50 0.00 0.00 46.19 46.03 2dku s LEU 92 CO 0.23 -0.15 0.79 -0.69 -1.32 0.00 0.00 176.35 175.21 2dku s VAL 93 N 1.77 5.36 -0.39 1.68 1.01 -1.26 -1.50 120.40 127.08 2dku s VAL 93 Ca 0.04 -2.08 -0.28 0.00 0.00 0.00 0.00 61.98 59.66 2dku s VAL 93 Cb -0.13 -4.50 -0.02 0.00 0.00 0.00 0.00 36.38 31.73 2dku s VAL 93 CO -0.07 -1.09 1.82 -1.10 0.00 0.00 0.00 175.10 174.66 2dku s GLN 94 N 0.95 3.16 -0.65 2.72 -0.21 -0.73 -4.65 119.66 120.25 2dku s GLN 94 Ca 0.18 1.26 -0.35 0.00 0.02 0.00 0.00 55.36 56.48 2dku s GLN 94 Cb -0.13 -4.24 -0.17 0.00 1.00 0.00 0.00 33.01 29.47 2dku s GLN 94 CO -0.06 -2.07 2.40 0.41 -2.12 0.00 0.00 175.29 173.86 2dku n GLY 95 N 5.49 -0.09 2.83 3.09 0.00 -1.26 -3.33 105.19 111.92 2dku n GLY 95 Ca 0.23 1.03 -0.17 0.00 0.00 0.00 0.00 46.02 47.11 2dku n GLY 95 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2dku n ARG 96 N 8.25 -1.92 -3.30 1.61 1.85 -1.26 -4.18 116.66 117.70 2dku n ARG 96 Ca 0.54 -0.80 -0.17 0.00 -1.00 0.00 0.00 57.85 56.41 2dku n ARG 96 Cb 0.13 -1.44 0.07 0.00 -1.05 0.00 0.00 32.46 30.17 2dku n ARG 96 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 2dku n ARG 97 N -2.08 -6.08 -3.07 2.89 0.63 -1.26 -4.94 116.66 102.75 2dku n ARG 97 Ca 0.08 0.69 -0.44 0.00 -0.92 0.00 0.00 57.85 57.26 2dku n ARG 97 Cb 0.33 -5.29 -0.01 0.00 0.45 0.00 0.00 32.46 27.94 2dku n ARG 97 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2dku s SER 98 N -3.67 7.05 0.70 6.15 0.15 -1.26 -4.98 113.70 117.84 2dku s SER 98 Ca 0.26 -2.99 0.00 0.00 0.70 0.00 0.00 55.95 53.92 2dku s SER 98 Cb -0.11 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 2dku s SER 98 CO 0.60 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 174.99 2dku n GLY 99 N 3.94 -0.83 0.20 9.45 0.00 -1.26 -3.61 105.19 113.08 2dku n GLY 99 Ca 0.30 -0.79 0.14 0.00 0.00 0.00 0.00 46.02 45.67 2dku n GLY 99 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dku h PRO 100 N 0.00 0.00 -4.96 1.61 0.13 -2.05 -3.41 132.00 123.32 2dku h PRO 100 Ca 0.00 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.48 2dku h PRO 100 Cb 0.15 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 31.11 2dku h PRO 100 CO 0.00 0.00 -0.31 -1.54 -0.23 0.00 0.00 178.00 175.92 2dku s SER 101 N -4.88 6.17 0.50 1.44 1.04 -1.24 -5.06 113.70 111.67 2dku s SER 101 Ca 0.03 -0.16 -0.22 0.00 0.48 0.00 0.00 55.95 56.07 2dku s SER 101 Cb 0.09 -2.19 -0.06 0.00 0.10 0.00 0.00 66.02 63.96 2dku s SER 101 CO 0.45 -0.29 1.25 -0.44 0.98 0.00 0.00 173.24 175.19 2dku s SER 102 N 1.72 5.73 0.00 7.02 0.01 -1.26 -4.70 113.70 122.23 2dku s SER 102 Ca 0.11 2.51 0.00 0.00 1.31 0.00 0.00 55.95 59.89 2dku s SER 102 Cb -0.16 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.45 2dku s SER 102 CO 0.11 -1.23 0.00 0.61 0.41 0.00 0.00 173.24 173.14