#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dku n SER 2 N 0.00 -4.89 -4.60 1.61 7.64 -1.26 -4.91 113.62 107.20 2dku n SER 2 Ca 0.00 -0.48 -0.43 0.00 1.01 0.00 0.00 58.87 58.97 2dku n SER 2 Cb 0.00 -4.44 -0.02 0.00 -1.01 0.00 0.00 64.21 58.74 2dku n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dku s SER 3 N -3.49 6.18 0.00 6.43 0.01 -1.26 -4.77 113.70 116.80 2dku s SER 3 Ca 0.39 0.91 0.00 0.00 1.31 0.00 0.00 55.95 58.56 2dku s SER 3 Cb -0.17 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.52 2dku s SER 3 CO 0.63 -1.54 0.00 0.61 0.41 0.00 0.00 173.24 173.35 2dku n GLY 4 N 5.20 -1.93 0.36 3.44 0.00 -1.26 -5.07 105.19 105.93 2dku n GLY 4 Ca 0.18 0.90 -0.14 0.00 0.00 0.00 0.00 46.02 46.96 2dku n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2dku h SER 5 N 0.00 -0.75 -3.43 1.61 0.87 -2.03 -3.40 113.55 106.41 2dku h SER 5 Ca 0.00 0.03 -0.66 0.00 -1.23 0.00 0.00 61.79 59.93 2dku h SER 5 Cb 0.00 0.20 -0.16 0.00 -0.44 0.00 0.00 62.40 62.00 2dku h SER 5 CO 0.00 -0.42 0.15 -0.44 -0.53 0.00 0.00 176.83 175.59 2dku s SER 6 N -4.17 6.29 0.00 6.23 0.01 -1.26 -4.94 113.70 115.86 2dku s SER 6 Ca -0.13 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.61 2dku s SER 6 Cb 0.01 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.92 2dku s SER 6 CO 0.39 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.78 2dku n GLY 7 N 5.09 1.39 3.29 3.44 0.00 -1.26 -5.17 105.19 111.97 2dku n GLY 7 Ca -0.03 -0.50 -0.28 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.00 1.98 0.41 4.61 0.00 -1.26 -5.14 121.76 121.36 2dku s ALA 8 Ca 0.00 -1.10 -0.04 0.00 0.00 0.00 0.00 51.96 50.82 2dku s ALA 8 Cb 0.00 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 2dku s ALA 8 CO 0.00 0.47 0.69 1.21 0.00 0.00 0.00 175.76 178.13 2dku s ASN 9 N -0.96 6.31 0.30 0.00 2.47 -1.26 -5.04 114.94 116.77 2dku s ASN 9 Ca 0.09 0.78 -0.07 0.00 0.42 0.00 0.00 52.86 54.09 2dku s ASN 9 Cb -0.09 -2.18 -0.00 0.00 -1.45 0.00 0.00 41.25 37.53 2dku s ASN 9 CO 0.01 -0.44 0.47 0.00 -3.72 0.00 0.00 177.10 173.42 2dku s PHE 11 N -3.46 3.25 0.33 0.00 0.40 -1.26 -2.07 117.98 115.17 2dku s PHE 11 Ca 0.27 -1.13 0.11 0.00 -0.60 0.00 0.00 56.93 55.58 2dku s PHE 11 Cb -0.00 -2.42 0.55 0.00 0.51 0.00 0.00 43.02 41.66 2dku s PHE 11 CO 0.15 -0.69 1.74 1.79 0.70 0.00 0.00 175.22 178.91 2dku h THR 12 N 5.98 1.33 -3.05 0.64 1.35 -1.85 -3.39 112.91 113.91 2dku h THR 12 Ca -0.25 -1.57 -0.57 0.00 -0.55 0.00 0.00 66.41 63.47 2dku h THR 12 Cb 1.10 1.81 -0.40 0.00 -1.73 0.00 0.00 68.15 68.93 2dku h THR 12 CO 0.65 0.45 -0.76 -1.61 -0.25 0.00 0.00 175.52 174.00 2dku s GLU 13 N -4.02 0.63 0.61 4.72 2.02 -1.26 -5.03 118.70 116.37 2dku s GLU 13 Ca -0.03 -1.02 -0.19 0.00 0.02 0.00 0.00 54.97 53.75 2dku s GLU 13 Cb 0.14 -1.81 -0.03 0.00 0.10 0.00 0.00 34.13 32.52 2dku s GLU 13 CO 0.75 -1.01 1.25 -1.21 0.02 0.00 0.00 175.26 175.06 2dku s GLU 14 N 1.63 2.85 1.14 1.61 2.02 -1.26 -2.70 118.70 123.99 2dku s GLU 14 Ca 0.10 1.95 -0.18 0.00 0.02 0.00 0.00 54.97 56.87 2dku s GLU 14 Cb -0.18 -1.94 0.16 0.00 0.10 0.00 0.00 34.13 32.27 2dku s GLU 14 CO -0.25 -1.33 0.21 1.28 0.02 0.00 0.00 175.26 175.18 2dku n LEU 15 N -1.63 -2.06 -3.79 1.80 4.77 -1.26 -4.92 117.00 109.91 2dku n LEU 15 Ca 0.14 -0.23 -0.17 0.00 -0.03 0.00 0.00 56.01 55.72 2dku n LEU 15 Cb 0.49 -0.96 -0.16 0.00 -2.33 0.00 0.00 43.42 40.45 2dku n LEU 15 CO 0.46 -3.22 -0.36 0.28 -1.33 0.00 0.00 177.39 173.22 2dku s THR 16 N -2.22 0.08 0.05 -5.08 -1.32 -1.26 -4.92 115.64 100.97 2dku s THR 16 Ca 0.55 0.17 -0.34 0.00 -1.21 0.00 0.00 61.69 60.86 2dku s THR 16 Cb -0.12 -0.21 -0.18 0.00 -1.51 0.00 0.00 72.50 70.48 2dku s THR 16 CO 0.61 0.14 0.86 0.59 -2.21 0.00 0.00 174.62 174.60 2dku n ASN 17 N 4.32 -0.34 -4.38 8.08 4.13 -1.26 -4.87 115.26 120.94 2dku n ASN 17 Ca -0.24 1.08 -0.32 0.00 1.68 0.00 0.00 54.58 56.78 2dku n ASN 17 Cb 0.50 -0.87 -0.14 0.00 -1.54 0.00 0.00 39.78 37.73 2dku n ASN 17 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2dku s LEU 18 N 0.80 2.54 -0.22 3.41 1.43 -1.03 -5.00 118.68 120.61 2dku s LEU 18 Ca 0.78 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 53.56 2dku s LEU 18 Cb -1.10 -1.52 0.05 0.00 0.03 0.00 0.00 46.19 43.64 2dku s LEU 18 CO 0.53 0.25 -0.12 -1.58 0.23 0.00 0.00 176.35 175.67 2dku s GLN 19 N -0.19 2.21 -0.06 1.70 0.74 -1.26 -0.44 119.66 122.37 2dku s GLN 19 Ca -0.01 -0.99 -0.05 0.00 0.05 0.00 0.00 55.36 54.36 2dku s GLN 19 Cb -0.13 -2.59 0.02 0.00 1.10 0.00 0.00 33.01 31.41 2dku s GLN 19 CO 0.03 -0.45 0.16 0.08 -0.55 0.00 0.00 175.29 174.56 2dku s VAL 20 N 1.30 -0.01 0.31 1.34 1.01 -0.50 -4.99 120.40 118.85 2dku s VAL 20 Ca -0.03 0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.70 2dku s VAL 20 Cb -0.17 -0.23 -0.11 0.00 0.00 0.00 0.00 36.38 35.87 2dku s VAL 20 CO -0.08 0.02 1.58 -1.61 0.00 0.00 0.00 175.10 175.01 2dku s GLU 21 N 0.35 4.11 0.78 2.72 2.02 -1.26 -2.74 118.70 124.68 2dku s GLU 21 Ca -0.02 2.59 -0.17 0.00 0.02 0.00 0.00 54.97 57.39 2dku s GLU 21 Cb -0.04 -3.01 -0.15 0.00 0.10 0.00 0.00 34.13 31.04 2dku s GLU 21 CO -0.01 -0.62 -0.53 -0.85 0.02 0.00 0.00 175.26 173.27 2dku n GLU 22 N 1.85 0.00 -2.27 1.61 0.28 -0.80 -2.14 120.64 119.16 2dku n GLU 22 Ca 0.07 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.88 2dku n GLU 22 Cb 0.38 -0.98 -0.02 0.00 1.43 0.00 0.00 31.44 32.25 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 2.06 -1.49 0.00 3.44 4.76 -0.52 -4.75 118.16 121.66 2dku n LYS 23 Ca 0.02 0.95 0.00 0.00 -2.87 0.00 0.00 58.31 56.40 2dku n LYS 23 Cb 0.51 -5.47 0.00 0.00 -1.84 0.00 0.00 35.03 28.23 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 -0.98 1.10 3.18 0.72 0.00 -0.91 -4.76 105.19 103.55 2dku n GLY 24 Ca -0.22 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.84 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 3.65 -0.93 -0.23 2.61 2.01 -1.26 -3.55 115.64 117.94 2dku s THR 25 Ca 0.00 0.00 -0.07 0.00 0.31 0.00 0.00 61.69 61.93 2dku s THR 25 Cb 0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 2dku s THR 25 CO 0.00 0.00 0.07 0.00 -0.69 0.00 0.00 174.62 174.00 2dku s ALA 26 N 2.87 3.23 -0.39 7.40 0.00 0.26 -4.92 121.76 130.21 2dku s ALA 26 Ca 0.17 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 51.10 2dku s ALA 26 Cb -0.14 -2.06 0.11 0.00 0.00 0.00 0.00 23.12 21.03 2dku s ALA 26 CO -0.20 -0.33 0.14 0.08 0.00 0.00 0.00 175.76 175.45 2dku s VAL 27 N 1.33 2.80 -0.65 0.00 1.01 -1.26 -0.10 120.40 123.53 2dku s VAL 27 Ca 0.05 -2.26 -0.26 0.00 0.00 0.00 0.00 61.98 59.51 2dku s VAL 27 Cb -0.15 -2.98 -0.01 0.00 0.00 0.00 0.00 36.38 33.24 2dku s VAL 27 CO 0.04 -0.66 1.75 -0.36 0.00 0.00 0.00 175.10 175.87 2dku s PHE 28 N 0.95 1.79 -0.09 5.22 0.08 -1.06 -4.82 117.98 120.06 2dku s PHE 28 Ca 0.10 0.61 -0.17 0.00 0.12 0.00 0.00 56.93 57.58 2dku s PHE 28 Cb -0.21 -4.20 -0.05 0.00 -0.57 0.00 0.00 43.02 38.00 2dku s PHE 28 CO -0.06 -2.24 0.46 0.95 -0.10 0.00 0.00 175.22 174.23 2dku s THR 29 N 8.45 5.13 0.32 0.64 -4.23 -1.26 -2.36 115.64 122.34 2dku s THR 29 Ca 0.61 0.93 0.06 0.00 -1.18 0.00 0.00 61.69 62.11 2dku s THR 29 Cb -0.11 -3.79 -0.03 0.00 1.34 0.00 0.00 72.50 69.90 2dku s THR 29 CO 0.18 0.39 0.28 0.00 -0.54 0.00 0.00 174.62 174.94 2dku s LYS 31 N -3.47 0.92 -0.00 0.00 2.20 -1.10 -2.50 119.74 115.80 2dku s LYS 31 Ca 0.40 -1.39 -0.15 0.00 -0.36 0.00 0.00 55.97 54.46 2dku s LYS 31 Cb 0.02 0.25 0.02 0.00 -1.51 0.00 0.00 37.83 36.62 2dku s LYS 31 CO 0.26 -0.26 0.33 0.95 -0.36 0.00 0.00 175.35 176.27 2dku s THR 32 N -4.03 0.06 0.14 3.43 -4.23 -1.14 -3.68 115.64 106.20 2dku s THR 32 Ca 0.22 -0.50 -0.14 0.00 -1.18 0.00 0.00 61.69 60.09 2dku s THR 32 Cb 0.07 -0.72 0.01 0.00 1.34 0.00 0.00 72.50 73.20 2dku s THR 32 CO 0.00 -0.28 1.61 -0.08 -0.54 0.00 0.00 174.62 175.34 2dku h GLU 33 N 3.65 0.77 -6.49 3.99 4.57 -1.74 -3.44 114.58 115.89 2dku h GLU 33 Ca -0.30 -0.22 -0.67 0.00 -1.18 0.00 0.00 59.36 56.99 2dku h GLU 33 Cb 1.18 -0.08 -0.18 0.00 -0.16 0.00 0.00 28.75 29.51 2dku h GLU 33 CO 0.41 0.81 -0.75 -1.01 -1.18 0.00 0.00 179.01 177.29 2dku s HIS 34 N -5.13 2.73 -1.19 0.92 0.09 -1.26 -4.98 115.29 106.46 2dku s HIS 34 Ca -0.13 -0.15 -0.23 0.00 -0.00 0.00 0.00 55.06 54.56 2dku s HIS 34 Cb 0.11 -1.49 -0.09 0.00 -0.00 0.00 0.00 32.58 31.11 2dku s HIS 34 CO 0.80 0.37 1.93 -0.35 -0.00 0.00 0.00 174.74 177.49 2dku n PRO 35 N 1.15 1.61 -1.53 8.40 -0.04 -1.26 -4.87 135.00 138.46 2dku n PRO 35 Ca -0.15 -2.48 -0.51 0.00 -0.04 0.00 0.00 63.50 60.33 2dku n PRO 35 Cb 0.52 -3.73 -0.05 0.00 -0.04 0.00 0.00 33.50 30.20 2dku n PRO 35 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dku n ALA 36 N 14.40 -1.80 0.20 0.55 0.00 -1.26 -4.85 120.51 127.74 2dku n ALA 36 Ca 0.45 0.48 0.10 0.00 0.00 0.00 0.00 53.44 54.47 2dku n ALA 36 Cb 0.47 -1.88 0.21 0.00 0.00 0.00 0.00 19.45 18.24 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 2.75 0.92 -2.62 0.00 0.00 -1.91 -3.46 119.26 114.93 2dku h ALA 37 Ca -0.42 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.24 2dku h ALA 37 Cb 1.38 -0.02 -0.18 0.00 0.00 0.00 0.00 17.79 18.96 2dku h ALA 37 CO 0.66 0.19 -0.44 -0.08 0.00 0.00 0.00 179.25 179.57 2dku s THR 38 N -3.22 0.11 -0.07 0.00 -1.32 -1.26 -5.16 115.64 104.71 2dku s THR 38 Ca 0.05 -0.87 -0.03 0.00 -1.21 0.00 0.00 61.69 59.64 2dku s THR 38 Cb 0.06 -0.77 0.04 0.00 -1.51 0.00 0.00 72.50 70.33 2dku s THR 38 CO 0.67 -0.48 0.13 -0.69 -2.21 0.00 0.00 174.62 172.04 2dku s VAL 39 N -2.21 -0.17 -0.31 5.08 1.01 -1.26 -4.56 120.40 117.97 2dku s VAL 39 Ca -0.08 0.33 0.04 0.00 0.00 0.00 0.00 61.98 62.26 2dku s VAL 39 Cb -0.03 -0.24 0.09 0.00 0.00 0.00 0.00 36.38 36.20 2dku s VAL 39 CO -0.02 0.14 -0.00 -0.89 0.00 0.00 0.00 175.10 174.32 2dku s THR 40 N 1.96 2.26 0.60 3.92 2.01 -0.06 -4.99 115.64 121.34 2dku s THR 40 Ca 0.00 -2.11 -0.14 0.00 0.31 0.00 0.00 61.69 59.75 2dku s THR 40 Cb -0.12 -2.56 -0.04 0.00 0.01 0.00 0.00 72.50 69.79 2dku s THR 40 CO -0.05 -0.41 1.04 0.26 -0.69 0.00 0.00 174.62 174.77 2dku s TRP 41 N 0.97 3.21 0.04 4.92 0.52 -1.26 -2.24 118.94 125.10 2dku s TRP 41 Ca 0.04 1.45 0.00 0.00 0.02 0.00 0.00 56.10 57.62 2dku s TRP 41 Cb -0.19 -2.89 -0.03 0.00 -1.15 0.00 0.00 33.47 29.21 2dku s TRP 41 CO -0.07 -0.91 -0.05 0.50 0.02 0.00 0.00 176.95 176.44 2dku s ARG 42 N -4.46 0.50 -0.19 4.98 3.52 0.13 -1.59 118.95 121.84 2dku s ARG 42 Ca 0.60 -0.89 -0.04 0.00 -0.13 0.00 0.00 55.73 55.26 2dku s ARG 42 Cb -0.13 0.00 0.10 0.00 -1.56 0.00 0.00 34.95 33.36 2dku s ARG 42 CO 0.42 -0.04 0.30 0.21 -0.81 0.00 0.00 175.30 175.38 2dku s LYS 43 N -2.43 0.23 -1.12 5.12 2.20 0.93 -0.20 119.74 124.48 2dku s LYS 43 Ca -0.05 0.54 -0.10 0.00 -0.36 0.00 0.00 55.97 56.01 2dku s LYS 43 Cb -0.03 -0.49 -0.04 0.00 -1.51 0.00 0.00 37.83 35.75 2dku s LYS 43 CO -0.03 -0.50 0.86 0.41 -0.36 0.00 0.00 175.35 175.73 2dku n GLY 44 N 5.35 -0.95 3.18 5.54 0.00 -1.15 -2.05 105.19 115.11 2dku n GLY 44 Ca -0.05 0.46 -0.23 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.72 -2.13 -3.92 0.99 4.32 -1.26 -4.97 117.00 106.32 2dku n LEU 45 Ca -0.12 -0.33 -0.18 0.00 -0.02 0.00 0.00 56.01 55.36 2dku n LEU 45 Cb 0.62 -2.56 -0.15 0.00 -1.62 0.00 0.00 43.42 39.71 2dku n LEU 45 CO 0.63 0.20 -0.40 -0.22 -1.22 0.00 0.00 177.39 176.37 2dku s LEU 46 N -6.58 1.65 -0.09 2.23 2.96 -0.87 -5.13 118.68 112.86 2dku s LEU 46 Ca 0.35 -0.10 -0.26 0.00 -0.22 0.00 0.00 54.13 53.90 2dku s LEU 46 Cb -0.17 -0.34 -0.03 0.00 0.50 0.00 0.00 46.19 46.16 2dku s LEU 46 CO 0.43 0.00 0.83 -0.70 -1.32 0.00 0.00 176.35 175.59 2dku s GLU 47 N 0.39 4.42 0.16 1.98 2.12 -1.26 -0.05 118.70 126.46 2dku s GLU 47 Ca -0.05 1.09 -0.06 0.00 0.36 0.00 0.00 54.97 56.32 2dku s GLU 47 Cb -0.08 -3.50 -0.06 0.00 0.26 0.00 0.00 34.13 30.75 2dku s GLU 47 CO -0.00 -0.12 0.41 -0.51 -0.54 0.00 0.00 175.26 174.50 2dku s LEU 48 N 1.37 4.24 0.27 2.70 1.43 -0.62 -4.95 118.68 123.13 2dku s LEU 48 Ca 0.42 0.66 0.10 0.00 -1.03 0.00 0.00 54.13 54.28 2dku s LEU 48 Cb -0.18 -3.39 -0.05 0.00 0.03 0.00 0.00 46.19 42.60 2dku s LEU 48 CO 0.19 0.02 -0.16 -0.13 0.23 0.00 0.00 176.35 176.50 2dku s ARG 49 N -2.71 1.62 -0.57 1.70 3.00 -1.26 -4.51 118.95 116.22 2dku s ARG 49 Ca 0.42 -1.76 -0.27 0.00 0.00 0.00 0.00 55.73 54.13 2dku s ARG 49 Cb -0.12 -1.58 -0.01 0.00 0.00 0.00 0.00 34.95 33.24 2dku s ARG 49 CO 0.24 0.25 1.75 0.00 0.00 0.00 0.00 175.30 177.54 2dku s ALA 50 N -2.66 2.40 0.34 2.13 0.00 -1.23 -4.28 121.76 118.46 2dku s ALA 50 Ca 0.29 -0.57 -0.10 0.00 0.00 0.00 0.00 51.96 51.58 2dku s ALA 50 Cb -0.02 -4.23 0.02 0.00 0.00 0.00 0.00 23.12 18.89 2dku s ALA 50 CO 0.13 -3.53 0.61 -1.12 0.00 0.00 0.00 175.76 171.85 2dku s SER 51 N 7.00 0.37 0.35 0.00 0.01 0.46 -4.94 113.70 116.96 2dku s SER 51 Ca 0.65 -1.24 0.16 0.00 1.31 0.00 0.00 55.95 56.83 2dku s SER 51 Cb -0.13 0.73 1.10 0.00 0.21 0.00 0.00 66.02 67.92 2dku s SER 51 CO 0.23 -1.43 1.68 1.23 0.41 0.00 0.00 173.24 175.35 2dku h GLY 52 N 2.08 1.88 0.46 3.44 0.00 -1.98 -1.67 103.07 107.29 2dku h GLY 52 Ca -0.29 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 46.79 2dku h GLY 52 CO 0.38 -0.41 -0.20 1.70 0.00 0.00 0.00 176.54 178.01 2dku h LYS 53 N 0.35 -0.55 -4.27 4.80 1.63 -1.91 -3.41 116.57 113.21 2dku h LYS 53 Ca 0.72 0.04 -0.67 0.00 -0.85 0.00 0.00 60.65 59.89 2dku h LYS 53 Cb 1.68 0.13 -0.39 0.00 -0.60 0.00 0.00 32.23 33.05 2dku h LYS 53 CO -0.54 -0.32 -0.63 -1.01 -3.45 0.00 0.00 179.45 173.50 2dku s HIS 54 N -3.61 3.58 -0.67 1.91 3.76 -0.66 -3.20 115.29 116.39 2dku s HIS 54 Ca -0.10 -2.89 -0.06 0.00 -0.15 0.00 0.00 55.06 51.87 2dku s HIS 54 Cb 0.01 -3.00 0.17 0.00 1.11 0.00 0.00 32.58 30.88 2dku s HIS 54 CO 0.31 -0.90 0.52 -1.14 -0.85 0.00 0.00 174.74 172.68 2dku s GLN 55 N 0.62 2.83 1.08 1.40 -0.44 -0.98 -0.40 119.66 123.76 2dku s GLN 55 Ca 0.12 -2.49 -0.15 0.00 -2.50 0.00 0.00 55.36 50.35 2dku s GLN 55 Cb -0.21 -3.92 0.23 0.00 -1.64 0.00 0.00 33.01 27.46 2dku s GLN 55 CO -0.05 -1.20 1.10 -1.25 0.50 0.00 0.00 175.29 174.38 2dku s PRO 56 N 0.05 -0.21 0.35 1.67 0.04 -1.26 -2.89 135.00 132.75 2dku s PRO 56 Ca 0.17 0.29 0.01 0.00 0.04 0.00 0.00 61.00 61.51 2dku s PRO 56 Cb -0.18 -1.68 -0.00 0.00 0.04 0.00 0.00 34.50 32.68 2dku s PRO 56 CO -0.05 -3.11 0.44 -1.13 0.04 0.00 0.00 177.00 173.19 2dku n SER 57 N -4.40 -1.21 -3.72 6.66 3.41 -0.66 -4.91 113.62 108.79 2dku n SER 57 Ca 0.08 -2.98 -0.13 0.00 -0.26 0.00 0.00 58.87 55.58 2dku n SER 57 Cb 0.58 2.34 -0.10 0.00 -0.26 0.00 0.00 64.21 66.77 2dku n SER 57 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2dku s GLN 58 N -2.94 0.50 -0.30 4.33 2.00 -1.26 -4.27 119.66 117.71 2dku s GLN 58 Ca 0.32 0.64 -0.01 0.00 -2.00 0.00 0.00 55.36 54.30 2dku s GLN 58 Cb -0.00 0.21 0.19 0.00 0.80 0.00 0.00 33.01 34.21 2dku s GLN 58 CO 0.23 -0.07 0.70 -1.21 -0.50 0.00 0.00 175.29 174.43 2dku s GLU 59 N 0.40 0.48 1.44 1.67 2.02 -0.75 -5.04 118.70 118.92 2dku s GLU 59 Ca -0.01 0.70 0.00 0.00 0.02 0.00 0.00 54.97 55.68 2dku s GLU 59 Cb -0.04 0.37 0.00 0.00 0.10 0.00 0.00 34.13 34.56 2dku s GLU 59 CO -0.01 -0.67 0.00 0.41 0.02 0.00 0.00 175.26 175.01 2dku n GLY 60 N 5.41 2.08 2.03 -1.39 0.00 -1.26 0.73 105.19 112.79 2dku n GLY 60 Ca 0.01 0.45 -0.25 0.00 0.00 0.00 0.00 46.02 46.24 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 6.32 -3.87 0.99 4.77 -1.26 -4.19 117.00 119.76 2dku n LEU 61 Ca 0.00 -4.12 -0.15 0.00 -0.03 0.00 0.00 56.01 51.71 2dku n LEU 61 Cb 0.00 -0.77 -0.15 0.00 -2.33 0.00 0.00 43.42 40.17 2dku n LEU 61 CO 0.00 1.45 -0.37 -0.89 -1.33 0.00 0.00 177.39 176.25 2dku s THR 62 N -4.14 0.16 0.05 -5.08 2.01 0.23 -2.86 115.64 106.00 2dku s THR 62 Ca 0.57 -0.01 0.01 0.00 0.31 0.00 0.00 61.69 62.57 2dku s THR 62 Cb 0.47 -0.18 -0.03 0.00 0.01 0.00 0.00 72.50 72.76 2dku s THR 62 CO 0.03 0.08 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.21 2dku s LEU 63 N 0.36 2.33 0.05 4.42 1.43 -1.04 -1.81 118.68 124.42 2dku s LEU 63 Ca -0.03 -0.68 -0.27 0.00 -1.03 0.00 0.00 54.13 52.12 2dku s LEU 63 Cb -0.06 -0.07 0.08 0.00 0.03 0.00 0.00 46.19 46.17 2dku s LEU 63 CO -0.01 -0.31 0.67 0.00 0.23 0.00 0.00 176.35 176.94 2dku s ARG 64 N -2.25 1.13 -0.25 1.70 1.70 -1.26 -0.66 118.95 119.06 2dku s ARG 64 Ca -0.05 -0.15 -0.01 0.00 -0.47 0.00 0.00 55.73 55.05 2dku s ARG 64 Cb -0.05 0.52 0.07 0.00 -0.57 0.00 0.00 34.95 34.92 2dku s ARG 64 CO -0.02 -0.44 0.02 -1.17 -1.08 0.00 0.00 175.30 172.61 2dku s LEU 65 N -2.07 2.20 -0.22 -1.89 2.96 -0.99 -1.65 118.68 117.02 2dku s LEU 65 Ca -0.03 -1.24 -0.29 0.00 -0.22 0.00 0.00 54.13 52.34 2dku s LEU 65 Cb -0.01 -0.95 -0.00 0.00 0.50 0.00 0.00 46.19 45.73 2dku s LEU 65 CO -0.03 -0.31 1.19 -0.89 -1.32 0.00 0.00 176.35 174.99 2dku s THR 66 N 1.56 4.39 -0.19 3.68 2.01 -1.14 -2.55 115.64 123.41 2dku s THR 66 Ca 0.00 1.65 -0.01 0.00 0.31 0.00 0.00 61.69 63.65 2dku s THR 66 Cb -0.18 -4.15 0.00 0.00 0.01 0.00 0.00 72.50 68.18 2dku s THR 66 CO -0.12 -0.24 -0.12 -0.63 -0.69 0.00 0.00 174.62 172.83 2dku s ILE 67 N 3.58 2.82 0.40 1.82 1.01 0.86 -2.50 121.20 129.19 2dku s ILE 67 Ca 0.51 -0.69 0.08 0.00 0.00 0.00 0.00 60.65 60.54 2dku s ILE 67 Cb -0.18 -2.23 -0.05 0.00 0.01 0.00 0.00 42.46 40.01 2dku s ILE 67 CO 0.14 0.49 0.15 -0.44 0.00 0.00 0.00 174.94 175.27 2dku s SER 68 N 1.17 4.41 -1.22 3.58 0.01 -1.19 -0.57 113.70 119.87 2dku s SER 68 Ca 0.01 -1.04 -0.08 0.00 1.31 0.00 0.00 55.95 56.15 2dku s SER 68 Cb -0.14 -0.51 0.01 0.00 0.21 0.00 0.00 66.02 65.59 2dku s SER 68 CO -0.04 -0.48 1.07 0.00 0.41 0.00 0.00 173.24 174.20 2dku n ALA 69 N -1.19 -1.20 -0.46 1.44 0.00 -1.23 -4.84 120.51 113.03 2dku n ALA 69 Ca -0.02 0.36 -0.28 0.00 0.00 0.00 0.00 53.44 53.50 2dku n ALA 69 Cb 0.64 -4.98 0.27 0.00 0.00 0.00 0.00 19.45 15.38 2dku n ALA 69 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2dku n LEU 70 N -4.56 -1.88 -3.56 0.00 4.77 -1.26 -4.74 117.00 105.77 2dku n LEU 70 Ca 0.00 -0.22 -0.07 0.00 -0.03 0.00 0.00 56.01 55.70 2dku n LEU 70 Cb 0.56 -1.24 -0.02 0.00 -2.33 0.00 0.00 43.42 40.39 2dku n LEU 70 CO 0.59 -3.39 0.77 -1.83 -1.33 0.00 0.00 177.39 172.20 2dku s GLU 71 N -4.36 0.74 0.45 3.23 -1.05 -1.26 -1.43 118.70 115.03 2dku s GLU 71 Ca 0.69 -0.30 0.33 0.00 -0.15 0.00 0.00 54.97 55.53 2dku s GLU 71 Cb -0.26 0.32 1.49 0.00 -0.44 0.00 0.00 34.13 35.25 2dku s GLU 71 CO 0.66 -0.33 1.60 0.87 0.95 0.00 0.00 175.26 179.01 2dku h LYS 72 N 2.00 0.04 0.01 -4.83 1.57 -1.97 0.59 116.57 113.99 2dku h LYS 72 Ca -0.20 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.58 2dku h LYS 72 Cb 1.22 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2dku h LYS 72 CO 0.28 0.03 -0.01 0.00 -0.57 0.00 0.00 179.45 179.19 2dku h ALA 73 N 1.54 -0.02 -0.72 3.86 0.00 -1.96 -3.01 119.26 118.96 2dku h ALA 73 Ca 0.86 -0.11 0.28 0.00 0.00 0.00 0.00 54.91 55.93 2dku h ALA 73 Cb 2.80 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 20.46 2dku h ALA 73 CO -0.40 -0.40 0.29 -0.25 0.00 0.00 0.00 179.25 178.50 2dku n ASP 74 N -4.99 0.17 -4.51 0.00 8.00 0.21 -4.19 116.55 111.23 2dku n ASP 74 Ca -0.08 1.20 -0.30 0.00 0.71 0.00 0.00 54.79 56.33 2dku n ASP 74 Cb 0.14 -0.55 -0.16 0.00 -0.02 0.00 0.00 41.12 40.53 2dku n ASP 74 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2dku n SER 75 N -4.72 0.05 -1.93 -2.24 7.64 -1.14 -4.75 113.62 106.54 2dku n SER 75 Ca 0.25 -0.38 -0.04 0.00 1.01 0.00 0.00 58.87 59.71 2dku n SER 75 Cb 0.83 -0.94 0.01 0.00 -1.01 0.00 0.00 64.21 63.11 2dku n SER 75 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2dku n ASP 76 N 10.25 -1.14 -4.64 6.43 8.00 -1.26 -4.99 116.55 129.21 2dku n ASP 76 Ca 0.61 -1.78 -0.37 0.00 0.71 0.00 0.00 54.79 53.97 2dku n ASP 76 Cb 0.18 1.90 -0.10 0.00 -0.02 0.00 0.00 41.12 43.08 2dku n ASP 76 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2dku s THR 77 N -2.52 5.29 0.15 -3.53 2.01 -1.26 -2.68 115.64 113.10 2dku s THR 77 Ca 0.08 0.16 0.01 0.00 0.31 0.00 0.00 61.69 62.25 2dku s THR 77 Cb -0.02 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 2dku s THR 77 CO 0.06 0.33 0.31 -0.31 -0.69 0.00 0.00 174.62 174.32 2dku s TYR 78 N 1.16 3.49 -0.21 4.92 1.51 -0.90 -2.94 117.35 124.38 2dku s TYR 78 Ca 0.07 0.22 -0.04 0.00 -1.01 0.00 0.00 57.07 56.31 2dku s TYR 78 Cb -0.14 -1.75 0.07 0.00 -0.11 0.00 0.00 41.96 40.04 2dku s TYR 78 CO 0.05 0.48 0.10 0.99 -1.11 0.00 0.00 175.55 176.06 2dku s THR 79 N -1.74 0.02 -0.32 -0.71 2.01 0.72 -2.79 115.64 112.84 2dku s THR 79 Ca 0.36 -0.42 -0.19 0.00 0.31 0.00 0.00 61.69 61.75 2dku s THR 79 Cb -0.11 -0.78 -0.01 0.00 0.01 0.00 0.00 72.50 71.61 2dku s THR 79 CO 0.28 -0.41 0.57 0.00 -0.69 0.00 0.00 174.62 174.37 2dku s ASP 81 N 1.69 4.72 -0.00 0.00 -1.08 -0.95 -1.34 116.67 119.71 2dku s ASP 81 Ca 0.22 -0.06 0.06 0.00 -0.52 0.00 0.00 52.55 52.25 2dku s ASP 81 Cb -0.15 -1.17 -0.07 0.00 -1.46 0.00 0.00 42.92 40.07 2dku s ASP 81 CO 0.12 0.32 0.21 2.30 0.52 0.00 0.00 175.17 178.64 2dku n ILE 82 N 1.87 0.00 0.00 4.11 -5.35 -1.03 -0.88 119.36 118.07 2dku n ILE 82 Ca -0.17 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 62.02 2dku n ILE 82 Cb 0.53 0.80 0.00 0.00 -1.74 0.00 0.00 39.64 39.22 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 1.47 1.03 0.43 3.28 0.00 -1.26 -4.62 105.19 105.51 2dku n GLY 83 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 2dku n GLY 83 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dku n GLN 84 N 0.00 0.12 -4.52 1.61 1.13 -1.26 -5.09 117.38 109.36 2dku n GLN 84 Ca 0.00 0.04 -0.24 0.00 -1.94 0.00 0.00 57.00 54.85 2dku n GLN 84 Cb 0.00 -0.89 -0.11 0.00 0.11 0.00 0.00 30.24 29.35 2dku n GLN 84 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2dku s ALA 85 N -2.10 2.72 -0.12 -1.58 0.00 -1.26 -4.94 121.76 114.49 2dku s ALA 85 Ca -0.07 -2.14 -0.10 0.00 0.00 0.00 0.00 51.96 49.66 2dku s ALA 85 Cb 0.02 0.46 0.03 0.00 0.00 0.00 0.00 23.12 23.63 2dku s ALA 85 CO 0.10 -0.23 0.30 -0.65 0.00 0.00 0.00 175.76 175.28 2dku s GLN 86 N -3.82 0.34 0.59 0.00 1.11 -1.26 -2.48 119.66 114.15 2dku s GLN 86 Ca 0.35 0.45 0.09 0.00 0.01 0.00 0.00 55.36 56.27 2dku s GLN 86 Cb 0.09 0.13 0.09 0.00 -1.01 0.00 0.00 33.01 32.31 2dku s GLN 86 CO 0.16 -0.06 0.76 0.45 0.01 0.00 0.00 175.29 176.61 2dku n SER 87 N 3.13 2.29 -3.68 5.90 2.88 -0.45 -4.92 113.62 118.77 2dku n SER 87 Ca -0.15 -2.65 -0.14 0.00 -1.33 0.00 0.00 58.87 54.61 2dku n SER 87 Cb 0.57 -0.37 -0.08 0.00 -0.75 0.00 0.00 64.21 63.58 2dku n SER 87 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2dku s ARG 88 N -4.64 0.68 -0.13 -1.46 0.52 -1.26 -2.97 118.95 109.68 2dku s ARG 88 Ca 0.57 0.70 -0.17 0.00 -0.52 0.00 0.00 55.73 56.31 2dku s ARG 88 Cb -0.05 0.33 0.04 0.00 0.52 0.00 0.00 34.95 35.79 2dku s ARG 88 CO 0.36 -0.10 0.45 0.00 0.02 0.00 0.00 175.30 176.03 2dku s ALA 89 N 0.12 -1.12 -0.10 2.13 0.00 -1.12 -4.55 121.76 117.13 2dku s ALA 89 Ca -0.01 1.11 -0.13 0.00 0.00 0.00 0.00 51.96 52.93 2dku s ALA 89 Cb -0.04 -0.53 -0.05 0.00 0.00 0.00 0.00 23.12 22.50 2dku s ALA 89 CO 0.02 -0.24 0.30 -0.65 0.00 0.00 0.00 175.76 175.19 2dku s GLN 90 N -0.17 3.96 0.03 0.00 -0.21 -1.26 -2.12 119.66 119.88 2dku s GLN 90 Ca -0.03 0.15 0.02 0.00 0.02 0.00 0.00 55.36 55.52 2dku s GLN 90 Cb -0.03 -3.31 -0.04 0.00 1.00 0.00 0.00 33.01 30.63 2dku s GLN 90 CO 0.02 0.51 0.02 -1.17 -2.12 0.00 0.00 175.29 172.54 2dku s LEU 91 N -0.37 3.56 -0.18 2.90 2.96 -1.09 -2.46 118.68 124.00 2dku s LEU 91 Ca 0.19 -0.03 0.00 0.00 -0.22 0.00 0.00 54.13 54.07 2dku s LEU 91 Cb -0.14 -2.12 0.04 0.00 0.50 0.00 0.00 46.19 44.47 2dku s LEU 91 CO 0.07 0.25 -0.09 -0.22 -1.32 0.00 0.00 176.35 175.04 2dku s LEU 92 N -1.81 2.00 -0.87 -0.68 2.96 0.42 -4.05 118.68 116.66 2dku s LEU 92 Ca 0.22 -0.77 -0.14 0.00 -0.22 0.00 0.00 54.13 53.22 2dku s LEU 92 Cb -0.12 -1.12 0.21 0.00 0.50 0.00 0.00 46.19 45.66 2dku s LEU 92 CO 0.13 -0.15 0.85 -0.69 -1.32 0.00 0.00 176.35 175.17 2dku s VAL 93 N 1.48 5.54 -0.04 1.68 1.01 -1.26 -1.41 120.40 127.40 2dku s VAL 93 Ca 0.00 -2.46 -0.29 0.00 0.00 0.00 0.00 61.98 59.22 2dku s VAL 93 Cb -0.16 -4.52 -0.07 0.00 0.00 0.00 0.00 36.38 31.63 2dku s VAL 93 CO -0.08 -1.11 1.97 -1.10 0.00 0.00 0.00 175.10 174.79 2dku s GLN 94 N 0.34 3.90 -0.77 2.72 -0.21 -1.11 -4.52 119.66 120.01 2dku s GLN 94 Ca 0.21 2.39 -0.24 0.00 0.02 0.00 0.00 55.36 57.75 2dku s GLN 94 Cb -0.09 -4.19 -0.16 0.00 1.00 0.00 0.00 33.01 29.57 2dku s GLN 94 CO -0.09 -1.22 2.40 0.41 -2.12 0.00 0.00 175.29 174.68 2dku n GLY 95 N 4.78 -0.16 0.43 3.09 0.00 -1.26 -1.91 105.19 110.16 2dku n GLY 95 Ca 0.22 0.44 -0.13 0.00 0.00 0.00 0.00 46.02 46.54 2dku n GLY 95 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2dku h ARG 96 N 14.20 -0.36 -3.79 1.61 2.43 -1.88 -3.41 114.38 123.17 2dku h ARG 96 Ca -0.06 0.02 -0.34 0.00 -0.81 0.00 0.00 59.98 58.79 2dku h ARG 96 Cb 1.13 0.08 -0.33 0.00 -0.42 0.00 0.00 29.97 30.43 2dku h ARG 96 CO 1.19 -0.24 -0.75 0.50 -1.51 0.00 0.00 179.97 179.16 2dku s ARG 97 N -5.52 0.35 -0.20 0.20 6.06 -1.26 -5.08 118.95 113.50 2dku s ARG 97 Ca -0.14 0.03 -0.14 0.00 -2.50 0.00 0.00 55.73 52.99 2dku s ARG 97 Cb 0.08 -0.49 0.06 0.00 0.06 0.00 0.00 34.95 34.66 2dku s ARG 97 CO 0.59 -0.10 0.51 0.45 -2.50 0.00 0.00 175.30 174.24 2dku s SER 98 N 0.87 -0.61 0.00 -2.12 0.15 -1.26 -5.16 113.70 105.57 2dku s SER 98 Ca -0.09 1.07 0.00 0.00 0.70 0.00 0.00 55.95 57.63 2dku s SER 98 Cb -0.12 1.00 0.00 0.00 -1.71 0.00 0.00 66.02 65.19 2dku s SER 98 CO -0.01 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.84 2dku n GLY 99 N 3.70 4.05 0.00 9.45 0.00 -1.26 -5.01 105.19 116.12 2dku n GLY 99 Ca -0.19 -1.64 0.08 0.00 0.00 0.00 0.00 46.02 44.27 2dku n GLY 99 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dku n PRO 100 N 0.00 0.37 -2.31 1.61 -0.04 -1.26 -4.85 135.00 128.52 2dku n PRO 100 Ca 0.00 0.06 -0.05 0.00 -0.04 0.00 0.00 63.50 63.47 2dku n PRO 100 Cb 0.00 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 31.98 2dku n PRO 100 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dku n SER 101 N -1.12 -2.25 -4.09 3.54 2.88 -1.26 -5.05 113.62 106.27 2dku n SER 101 Ca 0.10 -0.17 -0.32 0.00 -1.33 0.00 0.00 58.87 57.14 2dku n SER 101 Cb 0.08 -1.77 -0.16 0.00 -0.75 0.00 0.00 64.21 61.61 2dku n SER 101 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dku s SER 102 N -3.32 3.10 0.00 -3.46 0.15 -1.26 -5.32 113.70 103.59 2dku s SER 102 Ca 0.02 -0.66 0.31 0.00 0.70 0.00 0.00 55.95 56.32 2dku s SER 102 Cb -0.00 -1.40 1.66 0.00 -1.71 0.00 0.00 66.02 64.56 2dku s SER 102 CO 0.20 -0.03 2.09 0.61 1.20 0.00 0.00 173.24 177.31