#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 0.01 -0.46 1.61 1.04 -1.26 -5.06 113.70 109.58 2dku s SER 2 Ca 0.00 -1.03 0.03 0.00 0.48 0.00 0.00 55.95 55.44 2dku s SER 2 Cb 0.00 0.79 0.44 0.00 0.10 0.00 0.00 66.02 67.36 2dku s SER 2 CO 0.00 -1.54 1.50 -1.54 0.98 0.00 0.00 173.24 172.64 2dku n SER 3 N -1.11 5.94 -2.48 7.02 3.41 -1.26 -5.01 113.62 120.13 2dku n SER 3 Ca -0.06 -3.77 -0.05 0.00 -0.26 0.00 0.00 58.87 54.74 2dku n SER 3 Cb 0.60 -0.60 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 2dku n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dku n GLY 4 N -0.74 1.06 3.73 5.00 0.00 -1.26 -5.14 105.19 107.83 2dku n GLY 4 Ca 0.50 -1.15 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 2dku n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dku s SER 5 N -2.66 7.21 0.71 1.61 0.15 -1.26 -5.04 113.70 114.43 2dku s SER 5 Ca 0.14 2.01 -0.08 0.00 0.70 0.00 0.00 55.95 58.71 2dku s SER 5 Cb -0.03 -2.59 0.05 0.00 -1.71 0.00 0.00 66.02 61.74 2dku s SER 5 CO 0.07 -0.32 1.05 -0.94 1.20 0.00 0.00 173.24 174.30 2dku s SER 6 N 0.46 4.96 0.00 5.45 1.04 -1.26 -5.08 113.70 119.27 2dku s SER 6 Ca 0.53 0.67 0.00 0.00 0.48 0.00 0.00 55.95 57.64 2dku s SER 6 Cb -0.28 -1.36 0.00 0.00 0.10 0.00 0.00 66.02 64.47 2dku s SER 6 CO 0.32 -1.55 0.00 0.61 0.98 0.00 0.00 173.24 173.60 2dku n GLY 7 N -2.97 0.79 3.31 7.32 0.00 -1.26 -5.15 105.19 107.23 2dku n GLY 7 Ca 0.07 -0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.00 1.73 0.21 4.61 0.00 -1.26 -5.15 121.76 119.90 2dku s ALA 8 Ca 0.00 -1.72 0.09 0.00 0.00 0.00 0.00 51.96 50.32 2dku s ALA 8 Cb 0.00 0.47 -0.05 0.00 0.00 0.00 0.00 23.12 23.54 2dku s ALA 8 CO 0.00 -0.25 -0.16 1.21 0.00 0.00 0.00 175.76 176.56 2dku s ASN 9 N -3.28 2.76 0.36 0.00 3.84 -1.26 -4.96 114.94 112.41 2dku s ASN 9 Ca 0.27 -1.01 -0.03 0.00 0.21 0.00 0.00 52.86 52.31 2dku s ASN 9 Cb 0.05 -0.17 0.01 0.00 -0.55 0.00 0.00 41.25 40.60 2dku s ASN 9 CO 0.08 -0.12 0.51 0.00 -2.79 0.00 0.00 177.10 174.78 2dku s PHE 11 N -2.86 3.14 0.17 0.00 0.40 -1.26 -1.36 117.98 116.21 2dku s PHE 11 Ca 0.30 -0.91 -0.02 0.00 -0.60 0.00 0.00 56.93 55.70 2dku s PHE 11 Cb -0.01 -2.26 0.03 0.00 0.51 0.00 0.00 43.02 41.29 2dku s PHE 11 CO 0.21 -0.55 1.41 1.79 0.70 0.00 0.00 175.22 178.78 2dku h THR 12 N 5.82 1.38 -3.07 0.64 1.35 -1.80 -3.41 112.91 113.82 2dku h THR 12 Ca -0.32 -2.20 -0.57 0.00 -0.55 0.00 0.00 66.41 62.77 2dku h THR 12 Cb 1.13 2.17 -0.40 0.00 -1.73 0.00 0.00 68.15 69.32 2dku h THR 12 CO 0.60 0.66 -0.76 -1.61 -0.25 0.00 0.00 175.52 174.16 2dku s GLU 13 N -3.55 0.64 0.82 4.72 2.02 -1.25 -5.01 118.70 117.09 2dku s GLU 13 Ca -0.06 -1.02 -0.13 0.00 0.02 0.00 0.00 54.97 53.78 2dku s GLU 13 Cb 0.10 -1.85 0.09 0.00 0.10 0.00 0.00 34.13 32.58 2dku s GLU 13 CO 0.84 -1.00 1.20 -1.21 0.02 0.00 0.00 175.26 175.11 2dku s GLU 14 N 1.64 1.55 1.18 1.61 2.02 -1.26 -2.25 118.70 123.19 2dku s GLU 14 Ca 0.10 1.74 -0.13 0.00 0.02 0.00 0.00 54.97 56.70 2dku s GLU 14 Cb -0.17 -1.77 0.29 0.00 0.10 0.00 0.00 34.13 32.58 2dku s GLU 14 CO -0.26 -2.27 1.02 1.28 0.02 0.00 0.00 175.26 175.05 2dku n LEU 15 N -3.41 -1.46 -3.99 1.80 4.77 -1.26 -4.87 117.00 108.57 2dku n LEU 15 Ca 0.13 -0.17 -0.22 0.00 -0.03 0.00 0.00 56.01 55.72 2dku n LEU 15 Cb 0.51 -1.26 -0.16 0.00 -2.33 0.00 0.00 43.42 40.17 2dku n LEU 15 CO 0.48 -3.30 -0.45 0.28 -1.33 0.00 0.00 177.39 173.08 2dku s THR 16 N -2.40 0.90 0.10 -5.08 -1.32 -1.26 -4.88 115.64 101.69 2dku s THR 16 Ca 0.69 -0.36 -0.34 0.00 -1.21 0.00 0.00 61.69 60.46 2dku s THR 16 Cb -0.26 -0.84 -0.14 0.00 -1.51 0.00 0.00 72.50 69.76 2dku s THR 16 CO 0.65 0.30 1.63 -0.46 -2.21 0.00 0.00 174.62 174.53 2dku n ASN 17 N 3.74 3.07 -4.77 8.08 0.23 -1.26 -4.82 115.26 119.53 2dku n ASN 17 Ca -0.23 1.06 -0.22 0.00 -0.53 0.00 0.00 54.58 54.66 2dku n ASN 17 Cb 0.52 -1.40 -0.05 0.00 -2.08 0.00 0.00 39.78 36.77 2dku n ASN 17 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2dku s LEU 18 N 1.60 3.56 -0.17 -4.53 1.43 -1.07 -4.99 118.68 114.51 2dku s LEU 18 Ca 0.82 -0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 53.44 2dku s LEU 18 Cb -0.70 -2.10 0.07 0.00 0.03 0.00 0.00 46.19 43.49 2dku s LEU 18 CO 0.42 -0.10 0.15 -1.10 0.23 0.00 0.00 176.35 175.94 2dku s GLN 19 N -3.82 0.11 0.12 1.70 -0.21 -1.26 -1.34 119.66 114.95 2dku s GLN 19 Ca 0.34 0.10 -0.07 0.00 0.02 0.00 0.00 55.36 55.75 2dku s GLN 19 Cb -0.07 -1.42 -0.01 0.00 1.00 0.00 0.00 33.01 32.51 2dku s GLN 19 CO 0.24 -0.62 0.18 0.08 -2.12 0.00 0.00 175.29 173.04 2dku s VAL 20 N 2.23 0.12 0.17 1.09 1.01 -0.01 -4.98 120.40 120.02 2dku s VAL 20 Ca 0.04 -1.42 -0.25 0.00 0.00 0.00 0.00 61.98 60.35 2dku s VAL 20 Cb -0.15 -1.62 -0.08 0.00 0.00 0.00 0.00 36.38 34.52 2dku s VAL 20 CO -0.10 -0.54 0.78 -1.61 0.00 0.00 0.00 175.10 173.63 2dku s GLU 21 N -3.93 4.56 1.00 2.72 2.02 -1.26 -0.06 118.70 123.75 2dku s GLU 21 Ca 0.12 1.15 -0.19 0.00 0.02 0.00 0.00 54.97 56.08 2dku s GLU 21 Cb 0.05 -3.23 -0.15 0.00 0.10 0.00 0.00 34.13 30.90 2dku s GLU 21 CO -0.05 0.56 -0.88 -0.85 0.02 0.00 0.00 175.26 174.05 2dku n GLU 22 N 1.52 -0.03 -2.36 1.61 0.28 0.30 -2.31 120.64 119.65 2dku n GLU 22 Ca -0.05 -0.01 -0.18 0.00 -0.16 0.00 0.00 57.16 56.76 2dku n GLU 22 Cb 0.49 -1.04 -0.01 0.00 1.43 0.00 0.00 31.44 32.31 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 2.30 -1.82 0.00 3.44 4.76 -1.00 -4.61 118.16 121.23 2dku n LYS 23 Ca -0.02 0.91 0.00 0.00 -2.87 0.00 0.00 58.31 56.33 2dku n LYS 23 Cb 0.59 -5.54 0.00 0.00 -1.84 0.00 0.00 35.03 28.25 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 -0.92 1.07 3.15 0.72 0.00 -0.98 -4.65 105.19 103.58 2dku n GLY 24 Ca -0.22 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.85 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 3.74 -0.72 -0.21 2.61 2.01 -1.26 -2.73 115.64 119.08 2dku s THR 25 Ca 0.00 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.97 2dku s THR 25 Cb 0.00 -0.99 -0.00 0.00 0.01 0.00 0.00 72.50 71.52 2dku s THR 25 CO 0.00 0.00 -0.08 0.00 -0.69 0.00 0.00 174.62 173.85 2dku s ALA 26 N 2.90 2.71 -0.40 7.40 0.00 0.45 -4.92 121.76 129.90 2dku s ALA 26 Ca 0.12 -1.18 -0.06 0.00 0.00 0.00 0.00 51.96 50.84 2dku s ALA 26 Cb -0.13 -1.59 0.08 0.00 0.00 0.00 0.00 23.12 21.48 2dku s ALA 26 CO -0.17 -0.41 0.20 0.08 0.00 0.00 0.00 175.76 175.46 2dku s VAL 27 N 1.43 3.77 -0.58 0.00 1.01 -1.26 -0.65 120.40 124.13 2dku s VAL 27 Ca 0.06 -1.57 -0.27 0.00 0.00 0.00 0.00 61.98 60.19 2dku s VAL 27 Cb -0.14 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.88 2dku s VAL 27 CO -0.05 -0.49 1.57 -0.36 0.00 0.00 0.00 175.10 175.76 2dku s PHE 28 N 1.32 2.05 -0.13 5.22 0.08 -0.94 -4.81 117.98 120.78 2dku s PHE 28 Ca 0.03 0.51 -0.15 0.00 0.12 0.00 0.00 56.93 57.44 2dku s PHE 28 Cb -0.22 -4.31 -0.05 0.00 -0.57 0.00 0.00 43.02 37.87 2dku s PHE 28 CO -0.00 -2.18 0.34 0.95 -0.10 0.00 0.00 175.22 174.23 2dku s THR 29 N 7.02 5.25 0.34 0.64 -4.23 -1.26 -1.96 115.64 121.44 2dku s THR 29 Ca 0.57 0.67 0.07 0.00 -1.18 0.00 0.00 61.69 61.82 2dku s THR 29 Cb -0.12 -3.68 -0.03 0.00 1.34 0.00 0.00 72.50 70.01 2dku s THR 29 CO 0.23 0.41 0.27 0.00 -0.54 0.00 0.00 174.62 174.99 2dku s LYS 31 N -3.44 0.71 0.02 0.00 2.20 -0.96 -2.35 119.74 115.93 2dku s LYS 31 Ca 0.40 -1.11 -0.00 0.00 -0.36 0.00 0.00 55.97 54.90 2dku s LYS 31 Cb 0.02 0.27 -0.02 0.00 -1.51 0.00 0.00 37.83 36.58 2dku s LYS 31 CO 0.27 -0.18 -0.03 0.95 -0.36 0.00 0.00 175.35 176.01 2dku s THR 32 N -3.89 0.13 0.21 3.43 -4.23 -1.13 -3.09 115.64 107.07 2dku s THR 32 Ca 0.06 -1.04 -0.06 0.00 -1.18 0.00 0.00 61.69 59.46 2dku s THR 32 Cb 0.07 -0.45 0.09 0.00 1.34 0.00 0.00 72.50 73.54 2dku s THR 32 CO -0.10 -0.57 1.69 -0.08 -0.54 0.00 0.00 174.62 175.01 2dku h GLU 33 N 4.43 0.98 -6.23 3.99 4.81 -1.55 -3.43 114.58 117.58 2dku h GLU 33 Ca -0.32 -0.29 -0.57 0.00 -0.13 0.00 0.00 59.36 58.04 2dku h GLU 33 Cb 1.20 -0.10 -0.20 0.00 0.63 0.00 0.00 28.75 30.28 2dku h GLU 33 CO 0.45 0.96 -0.82 -1.01 -0.73 0.00 0.00 179.01 177.86 2dku s HIS 34 N -5.02 1.92 -0.85 0.92 3.76 -1.26 -5.02 115.29 109.74 2dku s HIS 34 Ca -0.11 -0.42 -0.25 0.00 -0.15 0.00 0.00 55.06 54.13 2dku s HIS 34 Cb 0.14 -1.01 -0.04 0.00 1.11 0.00 0.00 32.58 32.78 2dku s HIS 34 CO 0.84 0.30 1.94 -1.25 -0.85 0.00 0.00 174.74 175.72 2dku s PRO 35 N -2.32 2.56 0.65 8.40 0.04 -1.26 -4.90 135.00 138.17 2dku s PRO 35 Ca 0.12 -0.12 -0.18 0.00 0.04 0.00 0.00 61.00 60.87 2dku s PRO 35 Cb -0.08 -4.94 -0.01 0.00 0.04 0.00 0.00 34.50 29.51 2dku s PRO 35 CO 0.06 -3.27 1.26 0.00 0.04 0.00 0.00 177.00 175.09 2dku n ALA 36 N 13.79 1.06 0.07 8.56 0.00 -1.26 -4.94 120.51 137.79 2dku n ALA 36 Ca 0.37 -0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.86 2dku n ALA 36 Cb 0.48 -2.30 -0.04 0.00 0.00 0.00 0.00 19.45 17.58 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 0.52 0.59 -2.52 0.00 0.00 -1.93 -3.48 119.26 112.45 2dku h ALA 37 Ca -0.51 -0.47 -0.12 0.00 0.00 0.00 0.00 54.91 53.82 2dku h ALA 37 Cb 1.34 0.15 -0.14 0.00 0.00 0.00 0.00 17.79 19.15 2dku h ALA 37 CO 0.53 0.51 -0.43 -0.08 0.00 0.00 0.00 179.25 179.78 2dku s THR 38 N -3.11 0.11 -0.24 0.00 -1.32 -1.26 -5.16 115.64 104.65 2dku s THR 38 Ca -0.02 -1.47 -0.07 0.00 -1.21 0.00 0.00 61.69 58.92 2dku s THR 38 Cb 0.09 -1.71 0.12 0.00 -1.51 0.00 0.00 72.50 69.49 2dku s THR 38 CO 0.80 -0.50 0.50 -0.69 -2.21 0.00 0.00 174.62 172.52 2dku s VAL 39 N -3.95 -0.78 -0.39 5.08 1.01 -1.26 -4.61 120.40 115.51 2dku s VAL 39 Ca 0.14 0.08 -0.06 0.00 0.00 0.00 0.00 61.98 62.13 2dku s VAL 39 Cb 0.05 -0.81 0.07 0.00 0.00 0.00 0.00 36.38 35.69 2dku s VAL 39 CO -0.04 0.02 0.19 -0.89 0.00 0.00 0.00 175.10 174.38 2dku s THR 40 N 2.71 3.78 0.44 3.92 2.01 -0.37 -4.97 115.64 123.15 2dku s THR 40 Ca 0.01 -1.49 -0.22 0.00 0.31 0.00 0.00 61.69 60.31 2dku s THR 40 Cb -0.13 -3.32 -0.10 0.00 0.01 0.00 0.00 72.50 68.96 2dku s THR 40 CO -0.16 -0.43 0.99 0.26 -0.69 0.00 0.00 174.62 174.59 2dku s TRP 41 N 1.34 3.23 -0.01 4.92 0.52 -1.26 -2.48 118.94 125.20 2dku s TRP 41 Ca 0.02 1.62 0.00 0.00 0.02 0.00 0.00 56.10 57.76 2dku s TRP 41 Cb -0.22 -2.96 0.01 0.00 -1.15 0.00 0.00 33.47 29.15 2dku s TRP 41 CO 0.00 -0.39 0.00 0.50 0.02 0.00 0.00 176.95 177.09 2dku s ARG 42 N -3.02 0.07 -0.03 4.98 3.52 0.06 -1.61 118.95 122.92 2dku s ARG 42 Ca 0.62 0.03 0.03 0.00 -0.13 0.00 0.00 55.73 56.29 2dku s ARG 42 Cb -0.14 -0.15 -0.00 0.00 -1.56 0.00 0.00 34.95 33.10 2dku s ARG 42 CO 0.18 -0.04 -0.12 0.21 -0.81 0.00 0.00 175.30 174.71 2dku s LYS 43 N 0.35 1.28 -1.52 5.12 2.36 0.12 0.63 119.74 128.08 2dku s LYS 43 Ca -0.03 -0.43 -0.02 0.00 -2.55 0.00 0.00 55.97 52.94 2dku s LYS 43 Cb -0.05 -1.15 0.01 0.00 -1.05 0.00 0.00 37.83 35.59 2dku s LYS 43 CO -0.01 0.18 0.20 0.41 1.55 0.00 0.00 175.35 177.68 2dku n GLY 44 N 3.19 -0.18 2.94 5.54 0.00 -1.24 0.95 105.19 116.39 2dku n GLY 44 Ca -0.18 0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.49 -2.56 -4.02 0.99 4.77 -1.26 -4.99 117.00 105.44 2dku n LEU 45 Ca -0.29 -0.25 -0.19 0.00 -0.03 0.00 0.00 56.01 55.25 2dku n LEU 45 Cb 0.68 -2.97 -0.15 0.00 -2.33 0.00 0.00 43.42 38.65 2dku n LEU 45 CO 0.82 0.16 -0.43 -0.22 -1.33 0.00 0.00 177.39 176.39 2dku s LEU 46 N -6.60 1.96 0.05 2.23 2.96 0.27 -5.13 118.68 114.42 2dku s LEU 46 Ca 0.26 -0.17 -0.29 0.00 -0.22 0.00 0.00 54.13 53.71 2dku s LEU 46 Cb -0.12 -0.49 -0.05 0.00 0.50 0.00 0.00 46.19 46.04 2dku s LEU 46 CO 0.32 0.10 0.92 -0.70 -1.32 0.00 0.00 176.35 175.68 2dku s GLU 47 N -0.12 4.60 0.46 1.98 2.12 -1.26 0.14 118.70 126.62 2dku s GLU 47 Ca 0.02 1.34 0.08 0.00 0.36 0.00 0.00 54.97 56.78 2dku s GLU 47 Cb -0.05 -3.41 0.03 0.00 0.26 0.00 0.00 34.13 30.96 2dku s GLU 47 CO -0.00 0.12 0.63 -0.51 -0.54 0.00 0.00 175.26 174.96 2dku s LEU 48 N 0.42 3.51 -0.01 2.70 1.43 -0.63 -4.92 118.68 121.17 2dku s LEU 48 Ca 0.47 -0.52 -0.18 0.00 -1.03 0.00 0.00 54.13 52.87 2dku s LEU 48 Cb -0.22 -2.40 0.03 0.00 0.03 0.00 0.00 46.19 43.63 2dku s LEU 48 CO 0.27 -0.92 0.38 0.00 0.23 0.00 0.00 176.35 176.31 2dku s ARG 49 N -4.45 0.77 -0.42 1.70 1.70 -1.26 -4.72 118.95 112.27 2dku s ARG 49 Ca 0.57 -0.16 -0.27 0.00 -0.47 0.00 0.00 55.73 55.40 2dku s ARG 49 Cb -0.09 0.35 -0.07 0.00 -0.57 0.00 0.00 34.95 34.56 2dku s ARG 49 CO 0.35 -0.23 2.36 0.00 -1.08 0.00 0.00 175.30 176.70 2dku n ALA 50 N 1.08 1.08 -3.48 7.88 0.00 -1.23 -4.27 120.51 121.57 2dku n ALA 50 Ca -0.21 -0.66 -0.08 0.00 0.00 0.00 0.00 53.44 52.49 2dku n ALA 50 Cb 0.57 -3.05 -0.03 0.00 0.00 0.00 0.00 19.45 16.93 2dku n ALA 50 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2dku s SER 51 N 10.70 -0.10 0.53 0.00 1.04 -0.20 -4.96 113.70 120.70 2dku s SER 51 Ca 1.01 -0.84 0.45 0.00 0.48 0.00 0.00 55.95 57.05 2dku s SER 51 Cb -0.31 0.67 1.66 0.00 0.10 0.00 0.00 66.02 68.14 2dku s SER 51 CO 0.31 -1.27 1.59 1.23 0.98 0.00 0.00 173.24 176.08 2dku h GLY 52 N 2.13 0.36 0.00 7.32 0.00 -1.99 -2.08 103.07 108.81 2dku h GLY 52 Ca -0.24 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2dku h GLY 52 CO 0.31 -0.12 0.00 1.17 0.00 0.00 0.00 176.54 177.90 2dku n LYS 53 N -4.16 0.00 -3.37 4.80 3.00 -1.26 -4.59 118.16 112.58 2dku n LYS 53 Ca 0.42 0.47 -0.45 0.00 -0.00 0.00 0.00 58.31 58.75 2dku n LYS 53 Cb 1.85 -0.98 -0.05 0.00 0.00 0.00 0.00 35.03 35.85 2dku n LYS 53 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 2dku s HIS 54 N -0.97 3.41 -0.80 5.64 3.76 -0.79 -3.40 115.29 122.15 2dku s HIS 54 Ca 0.00 -1.61 -0.05 0.00 -0.15 0.00 0.00 55.06 53.25 2dku s HIS 54 Cb 0.00 -3.74 0.20 0.00 1.11 0.00 0.00 32.58 30.16 2dku s HIS 54 CO 0.00 -1.00 0.67 -1.14 -0.85 0.00 0.00 174.74 172.42 2dku s GLN 55 N 1.14 3.14 1.14 1.40 -0.44 -1.00 -1.03 119.66 124.00 2dku s GLN 55 Ca 0.08 -2.85 -0.17 0.00 -2.50 0.00 0.00 55.36 49.92 2dku s GLN 55 Cb -0.24 -4.00 0.26 0.00 -1.64 0.00 0.00 33.01 27.39 2dku s GLN 55 CO -0.01 -1.23 1.11 -1.25 0.50 0.00 0.00 175.29 174.40 2dku s PRO 56 N -0.59 -0.73 0.30 1.67 0.04 -1.26 -3.13 135.00 131.30 2dku s PRO 56 Ca 0.22 0.11 -0.14 0.00 0.04 0.00 0.00 61.00 61.22 2dku s PRO 56 Cb -0.13 -1.64 0.02 0.00 0.04 0.00 0.00 34.50 32.79 2dku s PRO 56 CO -0.08 -3.42 0.61 -1.12 0.04 0.00 0.00 177.00 173.03 2dku s SER 57 N -3.76 0.01 -0.09 6.66 0.01 -0.70 -4.93 113.70 110.91 2dku s SER 57 Ca 0.69 -0.95 -0.02 0.00 1.31 0.00 0.00 55.95 56.98 2dku s SER 57 Cb -0.13 0.69 0.04 0.00 0.21 0.00 0.00 66.02 66.83 2dku s SER 57 CO 0.57 -1.33 0.03 -1.58 0.41 0.00 0.00 173.24 171.33 2dku s GLN 58 N -3.52 0.36 0.37 12.44 2.00 -1.26 -3.99 119.66 126.06 2dku s GLN 58 Ca 0.19 0.10 0.03 0.00 -2.00 0.00 0.00 55.36 53.68 2dku s GLN 58 Cb -0.03 -1.08 -0.04 0.00 0.80 0.00 0.00 33.01 32.66 2dku s GLN 58 CO 0.10 -0.39 0.10 -1.21 -0.50 0.00 0.00 175.29 173.39 2dku s GLU 59 N 2.03 1.79 -0.82 1.67 2.02 -0.11 -5.02 118.70 120.25 2dku s GLU 59 Ca 0.04 -2.05 -0.28 0.00 0.02 0.00 0.00 54.97 52.70 2dku s GLU 59 Cb -0.13 -0.69 -0.17 0.00 0.10 0.00 0.00 34.13 33.23 2dku s GLU 59 CO -0.05 -0.35 2.58 0.41 0.02 0.00 0.00 175.26 177.86 2dku n GLY 60 N -0.80 -0.26 2.27 -1.39 0.00 -1.26 -1.07 105.19 102.69 2dku n GLY 60 Ca -0.04 0.92 -0.06 0.00 0.00 0.00 0.00 46.02 46.84 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 12.33 -0.54 -3.66 0.99 4.77 -1.26 -4.88 117.00 124.75 2dku n LEU 61 Ca 0.56 0.31 -0.22 0.00 -0.03 0.00 0.00 56.01 56.63 2dku n LEU 61 Cb 0.22 -1.48 -0.18 0.00 -2.33 0.00 0.00 43.42 39.65 2dku n LEU 61 CO 0.86 -0.11 -0.34 -0.89 -1.33 0.00 0.00 177.39 175.58 2dku s THR 62 N -2.14 -0.06 0.15 -5.08 2.01 -0.23 -2.84 115.64 107.44 2dku s THR 62 Ca 0.00 0.23 0.08 0.00 0.31 0.00 0.00 61.69 62.31 2dku s THR 62 Cb 0.00 -0.30 -0.04 0.00 0.01 0.00 0.00 72.50 72.16 2dku s THR 62 CO 0.00 0.05 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.14 2dku s LEU 63 N 2.14 3.07 -0.05 4.42 1.43 -0.99 -0.94 118.68 127.76 2dku s LEU 63 Ca 0.04 -0.47 -0.23 0.00 -1.03 0.00 0.00 54.13 52.44 2dku s LEU 63 Cb -0.13 -1.79 0.05 0.00 0.03 0.00 0.00 46.19 44.35 2dku s LEU 63 CO -0.05 0.13 0.51 0.00 0.23 0.00 0.00 176.35 177.17 2dku s ARG 64 N -2.62 0.85 -0.29 1.70 1.70 -1.26 -0.65 118.95 118.38 2dku s ARG 64 Ca 0.24 0.12 0.00 0.00 -0.47 0.00 0.00 55.73 55.62 2dku s ARG 64 Cb -0.10 0.39 0.09 0.00 -0.57 0.00 0.00 34.95 34.77 2dku s ARG 64 CO 0.15 -0.24 0.05 -1.17 -1.08 0.00 0.00 175.30 173.01 2dku s LEU 65 N -1.11 2.66 -0.09 -1.89 2.96 -0.83 -1.72 118.68 118.67 2dku s LEU 65 Ca -0.11 -1.56 -0.30 0.00 -0.22 0.00 0.00 54.13 51.94 2dku s LEU 65 Cb -0.03 -1.04 -0.03 0.00 0.50 0.00 0.00 46.19 45.60 2dku s LEU 65 CO 0.07 -0.36 1.20 -0.89 -1.32 0.00 0.00 176.35 175.05 2dku s THR 66 N 1.47 4.29 -0.23 3.68 2.01 -1.18 -2.20 115.64 123.47 2dku s THR 66 Ca 0.06 1.60 0.02 0.00 0.31 0.00 0.00 61.69 63.68 2dku s THR 66 Cb -0.18 -4.03 0.05 0.00 0.01 0.00 0.00 72.50 68.35 2dku s THR 66 CO -0.17 -0.04 -0.13 -0.63 -0.69 0.00 0.00 174.62 172.96 2dku s ILE 67 N 2.53 2.04 0.32 1.82 1.01 0.18 -2.37 121.20 126.73 2dku s ILE 67 Ca 0.55 -1.33 0.08 0.00 0.00 0.00 0.00 60.65 59.94 2dku s ILE 67 Cb -0.23 -2.06 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 2dku s ILE 67 CO 0.20 0.16 0.26 -0.44 0.00 0.00 0.00 174.94 175.11 2dku s SER 68 N 1.21 5.23 -1.28 3.58 0.01 -1.22 -0.41 113.70 120.82 2dku s SER 68 Ca -0.04 -0.50 -0.07 0.00 1.31 0.00 0.00 55.95 56.65 2dku s SER 68 Cb -0.17 -0.99 0.01 0.00 0.21 0.00 0.00 66.02 65.07 2dku s SER 68 CO -0.08 -0.30 1.11 0.00 0.41 0.00 0.00 173.24 174.38 2dku n ALA 69 N -1.32 -1.41 -0.58 1.44 0.00 -1.10 -4.85 120.51 112.68 2dku n ALA 69 Ca -0.03 0.30 -0.08 0.00 0.00 0.00 0.00 53.44 53.63 2dku n ALA 69 Cb 0.60 -4.72 0.13 0.00 0.00 0.00 0.00 19.45 15.46 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 -4.68 0.00 -3.60 0.00 4.77 -1.26 -4.56 117.00 107.66 2dku n LEU 70 Ca -0.05 -0.39 -0.07 0.00 -0.03 0.00 0.00 56.01 55.46 2dku n LEU 70 Cb 0.58 -0.59 -0.05 0.00 -2.33 0.00 0.00 43.42 41.03 2dku n LEU 70 CO 0.62 -2.20 0.92 -1.83 -1.33 0.00 0.00 177.39 173.57 2dku s GLU 71 N -3.31 0.39 0.66 3.23 -1.05 -1.26 -2.38 118.70 114.97 2dku s GLU 71 Ca 0.30 0.11 0.18 0.00 -0.15 0.00 0.00 54.97 55.40 2dku s GLU 71 Cb -0.05 0.18 0.96 0.00 -0.44 0.00 0.00 34.13 34.78 2dku s GLU 71 CO 0.25 -0.12 1.54 0.87 0.95 0.00 0.00 175.26 178.75 2dku h LYS 72 N 2.43 0.00 0.16 -4.83 1.57 -1.86 0.70 116.57 114.75 2dku h LYS 72 Ca -0.15 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.30 2dku h LYS 72 Cb 1.17 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.49 2dku h LYS 72 CO 0.27 0.00 -1.64 0.00 -0.57 0.00 0.00 179.45 177.51 2dku h ALA 73 N 0.79 0.18 -0.17 3.86 0.00 -1.94 -3.30 119.26 118.68 2dku h ALA 73 Ca 0.00 -1.11 0.05 0.00 0.00 0.00 0.00 54.91 53.85 2dku h ALA 73 Cb 1.20 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 2dku h ALA 73 CO 0.00 1.05 0.17 -0.44 0.00 0.00 0.00 179.25 180.03 2dku h ASP 74 N 0.09 0.00 -1.58 0.00 3.32 0.05 -3.40 116.42 114.91 2dku h ASP 74 Ca -0.30 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.28 2dku h ASP 74 Cb 2.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.63 2dku h ASP 74 CO 0.18 0.00 1.63 -1.54 -1.72 0.00 0.00 179.24 177.79 2dku n SER 75 N -3.87 2.34 -3.05 6.45 3.41 -1.15 -4.84 113.62 112.90 2dku n SER 75 Ca 0.01 -0.40 -0.07 0.00 -0.26 0.00 0.00 58.87 58.14 2dku n SER 75 Cb 0.29 -1.56 0.02 0.00 -0.26 0.00 0.00 64.21 62.71 2dku n SER 75 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2dku s ASP 76 N 11.69 -0.00 -0.55 4.04 -1.08 -1.25 -4.95 116.67 124.56 2dku s ASP 76 Ca 1.00 -1.02 -0.23 0.00 -0.52 0.00 0.00 52.55 51.78 2dku s ASP 76 Cb -0.24 0.76 0.05 0.00 -1.46 0.00 0.00 42.92 42.03 2dku s ASP 76 CO 0.28 -1.51 0.90 -0.89 0.52 0.00 0.00 175.17 174.47 2dku s THR 77 N -2.30 4.45 0.75 1.71 2.01 -1.26 -2.97 115.64 118.03 2dku s THR 77 Ca 0.17 0.13 -0.12 0.00 0.31 0.00 0.00 61.69 62.18 2dku s THR 77 Cb -0.04 -4.52 0.04 0.00 0.01 0.00 0.00 72.50 67.99 2dku s THR 77 CO 0.10 -1.10 1.12 -0.31 -0.69 0.00 0.00 174.62 173.74 2dku s TYR 78 N 3.77 3.16 -0.19 4.92 1.51 -0.75 -3.64 117.35 126.14 2dku s TYR 78 Ca 0.28 0.98 -0.04 0.00 -1.01 0.00 0.00 57.07 57.28 2dku s TYR 78 Cb -0.14 -3.19 0.09 0.00 -0.11 0.00 0.00 41.96 38.62 2dku s TYR 78 CO 0.18 -1.42 0.27 0.99 -1.11 0.00 0.00 175.55 174.45 2dku s THR 79 N -3.39 -0.41 -0.50 -0.71 2.01 0.20 -3.00 115.64 109.85 2dku s THR 79 Ca 0.60 0.02 -0.19 0.00 0.31 0.00 0.00 61.69 62.42 2dku s THR 79 Cb -0.11 -0.63 0.05 0.00 0.01 0.00 0.00 72.50 71.81 2dku s THR 79 CO 0.51 -0.09 0.62 0.00 -0.69 0.00 0.00 174.62 174.98 2dku s ASP 81 N 2.58 6.44 0.00 0.00 -1.08 -1.03 -1.50 116.67 122.08 2dku s ASP 81 Ca 0.16 0.47 0.00 0.00 -0.52 0.00 0.00 52.55 52.66 2dku s ASP 81 Cb -0.18 -2.05 0.00 0.00 -1.46 0.00 0.00 42.92 39.22 2dku s ASP 81 CO 0.13 0.27 0.00 2.30 0.52 0.00 0.00 175.17 178.39 2dku n ILE 82 N 1.11 0.00 0.00 4.11 -5.35 -1.02 -1.24 119.36 116.97 2dku n ILE 82 Ca -0.12 -0.17 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 2dku n ILE 82 Cb 0.53 0.66 0.00 0.00 -1.74 0.00 0.00 39.64 39.09 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 1.66 1.02 0.01 3.28 0.00 -1.26 -4.65 105.19 105.24 2dku n GLY 83 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 0.94 -4.45 1.61 1.13 -1.26 -5.09 117.38 110.25 2dku n GLN 84 Ca 0.00 0.01 -0.22 0.00 -1.94 0.00 0.00 57.00 54.84 2dku n GLN 84 Cb 0.00 -1.03 -0.10 0.00 0.11 0.00 0.00 30.24 29.23 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 -2.03 2.48 -0.16 -1.58 0.00 -1.26 -4.96 121.76 114.25 2dku s ALA 85 Ca -0.02 -1.71 -0.12 0.00 0.00 0.00 0.00 51.96 50.12 2dku s ALA 85 Cb 0.00 0.76 0.05 0.00 0.00 0.00 0.00 23.12 23.93 2dku s ALA 85 CO 0.03 -0.34 0.41 -0.65 0.00 0.00 0.00 175.76 175.21 2dku s GLN 86 N -3.85 0.44 0.67 0.00 1.11 -1.26 -2.43 119.66 114.34 2dku s GLN 86 Ca 0.32 0.69 0.05 0.00 0.01 0.00 0.00 55.36 56.42 2dku s GLN 86 Cb 0.06 0.10 0.12 0.00 -1.01 0.00 0.00 33.01 32.28 2dku s GLN 86 CO 0.15 -0.11 0.93 0.45 0.01 0.00 0.00 175.29 176.71 2dku s SER 87 N 0.84 4.60 -0.24 5.90 0.15 -0.56 -4.89 113.70 119.51 2dku s SER 87 Ca -0.05 -0.69 -0.17 0.00 0.70 0.00 0.00 55.95 55.74 2dku s SER 87 Cb -0.06 0.31 0.07 0.00 -1.71 0.00 0.00 66.02 64.63 2dku s SER 87 CO -0.06 -1.71 0.60 -0.13 1.20 0.00 0.00 173.24 173.14 2dku s ARG 88 N -4.95 0.65 -0.11 5.44 0.52 -1.26 -2.97 118.95 116.26 2dku s ARG 88 Ca 0.65 0.98 -0.10 0.00 -0.52 0.00 0.00 55.73 56.74 2dku s ARG 88 Cb -0.05 0.20 0.03 0.00 0.52 0.00 0.00 34.95 35.65 2dku s ARG 88 CO 0.43 -0.12 0.29 0.00 0.02 0.00 0.00 175.30 175.91 2dku s ALA 89 N 1.02 -0.72 -0.19 2.13 0.00 -1.16 -4.53 121.76 118.31 2dku s ALA 89 Ca -0.06 0.85 -0.14 0.00 0.00 0.00 0.00 51.96 52.61 2dku s ALA 89 Cb -0.05 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 2dku s ALA 89 CO -0.09 -0.14 0.32 -0.65 0.00 0.00 0.00 175.76 175.20 2dku s GLN 90 N 0.26 4.20 -0.05 0.00 -0.21 -1.26 -1.81 119.66 120.79 2dku s GLN 90 Ca -0.01 0.10 -0.02 0.00 0.02 0.00 0.00 55.36 55.45 2dku s GLN 90 Cb -0.03 -3.49 -0.04 0.00 1.00 0.00 0.00 33.01 30.46 2dku s GLN 90 CO -0.01 0.09 0.06 -1.17 -2.12 0.00 0.00 175.29 172.15 2dku s LEU 91 N 0.92 3.85 -0.27 2.90 2.96 -1.16 -2.60 118.68 125.27 2dku s LEU 91 Ca 0.17 0.18 0.01 0.00 -0.22 0.00 0.00 54.13 54.27 2dku s LEU 91 Cb -0.14 -2.09 0.06 0.00 0.50 0.00 0.00 46.19 44.52 2dku s LEU 91 CO 0.06 0.32 -0.07 -0.22 -1.32 0.00 0.00 176.35 175.12 2dku s LEU 92 N -1.37 3.62 -0.76 -0.68 2.96 -0.45 -3.87 118.68 118.12 2dku s LEU 92 Ca 0.19 -1.35 -0.15 0.00 -0.22 0.00 0.00 54.13 52.60 2dku s LEU 92 Cb -0.12 -1.61 0.19 0.00 0.50 0.00 0.00 46.19 45.15 2dku s LEU 92 CO 0.09 -0.22 0.73 -0.69 -1.32 0.00 0.00 176.35 174.94 2dku s VAL 93 N 1.16 5.45 1.24 1.68 1.01 -1.24 -0.83 120.40 128.87 2dku s VAL 93 Ca -0.08 -2.17 -0.17 0.00 0.00 0.00 0.00 61.98 59.57 2dku s VAL 93 Cb -0.20 -4.46 0.30 0.00 0.00 0.00 0.00 36.38 32.03 2dku s VAL 93 CO -0.04 -1.03 1.01 -1.10 0.00 0.00 0.00 175.10 173.95 2dku s GLN 94 N 0.69 -1.55 -1.14 2.72 -1.52 0.92 -4.42 119.66 115.36 2dku s GLN 94 Ca 0.15 0.41 -0.10 0.00 -1.95 0.00 0.00 55.36 53.87 2dku s GLN 94 Cb -0.15 -1.52 0.25 0.00 -0.22 0.00 0.00 33.01 31.38 2dku s GLN 94 CO -0.06 -4.03 1.21 0.41 -0.25 0.00 0.00 175.29 172.57 2dku n GLY 95 N 0.51 4.00 2.90 3.09 0.00 -1.26 -0.54 105.19 113.89 2dku n GLY 95 Ca 0.08 -2.44 -0.35 0.00 0.00 0.00 0.00 46.02 43.31 2dku n GLY 95 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2dku n ARG 96 N 3.44 0.00 -0.60 1.61 0.63 -1.26 -4.57 116.66 115.90 2dku n ARG 96 Ca 0.27 0.00 0.46 0.00 -0.92 0.00 0.00 57.85 57.67 2dku n ARG 96 Cb 0.40 -0.96 0.71 0.00 0.45 0.00 0.00 32.46 33.07 2dku n ARG 96 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2dku n ARG 97 N 2.29 0.00 -4.21 -0.14 0.63 -1.26 -4.71 116.66 109.26 2dku n ARG 97 Ca -0.01 0.98 -0.31 0.00 -0.92 0.00 0.00 57.85 57.59 2dku n ARG 97 Cb 0.53 -2.29 -0.06 0.00 0.45 0.00 0.00 32.46 31.09 2dku n ARG 97 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2dku n SER 98 N -3.68 -0.35 -4.88 6.15 2.88 -1.26 -4.91 113.62 107.57 2dku n SER 98 Ca 0.39 -1.15 -0.30 0.00 -1.33 0.00 0.00 58.87 56.48 2dku n SER 98 Cb 1.80 -2.24 0.06 0.00 -0.75 0.00 0.00 64.21 63.08 2dku n SER 98 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dku s GLY 99 N -4.11 1.62 0.32 0.46 0.00 -1.26 -4.98 107.32 99.37 2dku s GLY 99 Ca 0.19 -0.42 0.12 0.00 0.00 0.00 0.00 44.72 44.61 2dku s GLY 99 CO 0.96 -0.01 1.73 -0.56 0.00 0.00 0.00 173.10 175.21 2dku h PRO 100 N -0.83 0.00 -6.96 2.90 0.13 -2.03 -3.45 132.00 121.77 2dku h PRO 100 Ca -0.46 -0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.13 2dku h PRO 100 Cb 1.28 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.52 2dku h PRO 100 CO 0.64 0.49 0.74 -1.12 -0.23 0.00 0.00 178.00 178.52 2dku s SER 101 N -6.89 6.14 0.33 1.44 0.01 -1.26 -5.01 113.70 108.46 2dku s SER 101 Ca -0.02 2.98 0.01 0.00 1.31 0.00 0.00 55.95 60.22 2dku s SER 101 Cb 0.14 -2.66 -0.03 0.00 0.21 0.00 0.00 66.02 63.67 2dku s SER 101 CO 0.74 -1.00 0.53 -0.94 0.41 0.00 0.00 173.24 172.98 2dku s SER 102 N -0.33 6.31 0.00 2.44 1.04 -1.26 -5.10 113.70 116.80 2dku s SER 102 Ca 0.56 0.43 0.00 0.00 0.48 0.00 0.00 55.95 57.42 2dku s SER 102 Cb -0.45 -2.02 0.00 0.00 0.10 0.00 0.00 66.02 63.65 2dku s SER 102 CO 0.59 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 175.16