#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 -1.60 -0.00 1.61 3.41 -1.26 -4.96 113.62 110.82 2dku n SER 2 Ca 0.00 -0.06 0.11 0.00 -0.26 0.00 0.00 58.87 58.66 2dku n SER 2 Cb 0.00 -1.23 -0.15 0.00 -0.26 0.00 0.00 64.21 62.56 2dku n SER 2 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2dku n SER 3 N -4.14 0.16 -1.03 4.04 3.41 -1.26 -5.03 113.62 109.77 2dku n SER 3 Ca 0.04 -0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 2dku n SER 3 Cb 0.55 1.79 0.00 0.00 -0.26 0.00 0.00 64.21 66.29 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 1.28 0.66 0.42 5.00 0.00 -1.26 -5.02 105.19 106.27 2dku n GLY 4 Ca -0.03 -0.43 -0.18 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.88 -3.30 1.61 0.87 -2.04 -3.43 113.55 106.38 2dku h SER 5 Ca 0.00 0.01 -0.37 0.00 -1.23 0.00 0.00 61.79 60.20 2dku h SER 5 Cb 0.69 0.23 -0.39 0.00 -0.44 0.00 0.00 62.40 62.48 2dku h SER 5 CO 0.00 -0.57 -0.74 -0.44 -0.53 0.00 0.00 176.83 174.55 2dku s SER 6 N -4.33 1.18 0.01 6.23 0.01 -1.26 -5.14 113.70 110.39 2dku s SER 6 Ca -0.17 0.06 -0.00 0.00 1.31 0.00 0.00 55.95 57.14 2dku s SER 6 Cb 0.02 -0.14 -0.01 0.00 0.21 0.00 0.00 66.02 66.10 2dku s SER 6 CO 0.56 -0.25 -0.00 -0.83 0.41 0.00 0.00 173.24 173.13 2dku s GLY 7 N 2.17 0.09 0.47 3.44 0.00 -1.26 -5.17 107.32 107.06 2dku s GLY 7 Ca 0.05 -0.22 0.07 0.00 0.00 0.00 0.00 44.72 44.62 2dku s GLY 7 CO -0.03 -0.25 0.41 0.00 0.00 0.00 0.00 173.10 173.23 2dku s ALA 8 N -0.61 4.19 -0.11 3.20 0.00 -1.26 -4.93 121.76 122.24 2dku s ALA 8 Ca -0.07 -1.75 -0.32 0.00 0.00 0.00 0.00 51.96 49.82 2dku s ALA 8 Cb -0.04 -0.93 0.12 0.00 0.00 0.00 0.00 23.12 22.27 2dku s ALA 8 CO -0.00 -0.34 1.07 1.21 0.00 0.00 0.00 175.76 177.70 2dku s ASN 9 N -4.20 -0.24 0.22 0.00 2.47 -1.26 -4.97 114.94 106.96 2dku s ASN 9 Ca 0.45 0.01 0.03 0.00 0.42 0.00 0.00 52.86 53.77 2dku s ASN 9 Cb -0.03 0.24 -0.01 0.00 -1.45 0.00 0.00 41.25 40.01 2dku s ASN 9 CO 0.27 -0.39 0.23 0.00 -3.72 0.00 0.00 177.10 173.48 2dku s PHE 11 N -3.10 2.93 0.08 0.00 0.40 -1.26 -2.51 117.98 114.52 2dku s PHE 11 Ca 0.24 -1.02 -0.03 0.00 -0.60 0.00 0.00 56.93 55.53 2dku s PHE 11 Cb 0.01 -2.07 -0.28 0.00 0.51 0.00 0.00 43.02 41.19 2dku s PHE 11 CO 0.17 -0.56 1.15 1.79 0.70 0.00 0.00 175.22 178.47 2dku h THR 12 N 5.72 1.51 -3.08 0.64 1.35 -1.85 -3.42 112.91 113.78 2dku h THR 12 Ca -0.41 -3.10 -0.58 0.00 -0.55 0.00 0.00 66.41 61.77 2dku h THR 12 Cb 1.16 2.94 -0.40 0.00 -1.73 0.00 0.00 68.15 70.12 2dku h THR 12 CO 0.61 0.90 -0.76 -1.61 -0.25 0.00 0.00 175.52 174.41 2dku s GLU 13 N -2.66 0.67 0.98 4.72 2.02 -1.25 -5.01 118.70 118.16 2dku s GLU 13 Ca -0.04 -1.06 -0.11 0.00 0.02 0.00 0.00 54.97 53.79 2dku s GLU 13 Cb 0.07 -1.88 0.18 0.00 0.10 0.00 0.00 34.13 32.61 2dku s GLU 13 CO 0.88 -1.01 1.12 -1.21 0.02 0.00 0.00 175.26 175.06 2dku s GLU 14 N 1.60 0.50 1.20 1.61 2.02 -1.26 -2.20 118.70 122.17 2dku s GLU 14 Ca 0.10 1.41 -0.18 0.00 0.02 0.00 0.00 54.97 56.32 2dku s GLU 14 Cb -0.18 -1.68 0.28 0.00 0.10 0.00 0.00 34.13 32.66 2dku s GLU 14 CO -0.25 -2.94 1.06 -0.51 0.02 0.00 0.00 175.26 172.64 2dku s LEU 15 N -6.79 0.55 0.07 1.80 1.43 -1.26 -4.84 118.68 109.64 2dku s LEU 15 Ca 0.67 0.90 0.03 0.00 -1.03 0.00 0.00 54.13 54.70 2dku s LEU 15 Cb -0.24 -2.69 -0.03 0.00 0.03 0.00 0.00 46.19 43.26 2dku s LEU 15 CO 0.60 -4.17 -0.09 0.28 0.23 0.00 0.00 176.35 173.20 2dku s THR 16 N -2.79 0.71 0.04 5.49 -1.32 -1.26 -4.92 115.64 111.58 2dku s THR 16 Ca 0.69 -1.41 -0.30 0.00 -1.21 0.00 0.00 61.69 59.45 2dku s THR 16 Cb -0.14 -1.05 -0.07 0.00 -1.51 0.00 0.00 72.50 69.72 2dku s THR 16 CO 0.58 -0.52 1.57 0.54 -2.21 0.00 0.00 174.62 174.58 2dku s ASN 17 N -2.11 6.69 0.02 8.08 2.20 -1.26 -4.63 114.94 123.92 2dku s ASN 17 Ca -0.01 2.35 -0.00 0.00 -0.94 0.00 0.00 52.86 54.26 2dku s ASN 17 Cb -0.05 -2.56 -0.04 0.00 -2.00 0.00 0.00 41.25 36.60 2dku s ASN 17 CO -0.01 -0.83 0.12 -0.76 -2.94 0.00 0.00 177.10 172.68 2dku s LEU 18 N 2.62 4.05 -0.13 3.54 1.43 -0.98 -5.00 118.68 124.21 2dku s LEU 18 Ca 0.70 0.18 -0.04 0.00 -1.03 0.00 0.00 54.13 53.95 2dku s LEU 18 Cb -0.37 -2.49 0.05 0.00 0.03 0.00 0.00 46.19 43.42 2dku s LEU 18 CO 0.30 0.24 0.07 -1.58 0.23 0.00 0.00 176.35 175.61 2dku s GLN 19 N -2.01 0.07 -0.02 1.70 0.74 -1.26 -1.23 119.66 117.64 2dku s GLN 19 Ca 0.27 0.05 -0.15 0.00 0.05 0.00 0.00 55.36 55.58 2dku s GLN 19 Cb -0.12 -1.40 0.02 0.00 1.10 0.00 0.00 33.01 32.61 2dku s GLN 19 CO 0.18 -0.55 0.32 0.08 -0.55 0.00 0.00 175.29 174.77 2dku s VAL 20 N 2.13 0.05 0.25 1.34 1.01 -0.78 -5.01 120.40 119.40 2dku s VAL 20 Ca 0.03 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.28 2dku s VAL 20 Cb -0.15 -0.61 -0.10 0.00 0.00 0.00 0.00 36.38 35.53 2dku s VAL 20 CO -0.07 -0.24 1.32 -1.61 0.00 0.00 0.00 175.10 174.51 2dku s GLU 21 N -1.22 4.37 0.55 2.72 2.02 -1.26 -1.54 118.70 124.33 2dku s GLU 21 Ca -0.13 2.14 -0.14 0.00 0.02 0.00 0.00 54.97 56.86 2dku s GLU 21 Cb -0.05 -3.14 -0.12 0.00 0.10 0.00 0.00 34.13 30.92 2dku s GLU 21 CO 0.04 -0.24 -0.30 -0.85 0.02 0.00 0.00 175.26 173.92 2dku n GLU 22 N 1.94 0.00 -2.03 1.61 0.28 0.32 -1.66 120.64 121.09 2dku n GLU 22 Ca 0.04 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.85 2dku n GLU 22 Cb 0.42 -0.80 -0.04 0.00 1.43 0.00 0.00 31.44 32.45 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 1.51 -1.44 0.00 3.44 4.76 0.10 -4.79 118.16 121.74 2dku n LYS 23 Ca 0.03 1.02 0.00 0.00 -2.87 0.00 0.00 58.31 56.49 2dku n LYS 23 Cb 0.40 -5.47 0.00 0.00 -1.84 0.00 0.00 35.03 28.12 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 -0.87 2.41 2.87 0.72 0.00 -0.67 -4.57 105.19 105.10 2dku n GLY 24 Ca -0.21 -1.74 -0.16 0.00 0.00 0.00 0.00 46.02 43.91 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 4.68 -0.24 -0.18 2.61 2.01 -1.26 -2.82 115.64 120.44 2dku s THR 25 Ca 0.00 0.32 -0.00 0.00 0.31 0.00 0.00 61.69 62.31 2dku s THR 25 Cb 0.00 -0.31 0.04 0.00 0.01 0.00 0.00 72.50 72.25 2dku s THR 25 CO 0.00 0.13 -0.06 0.00 -0.69 0.00 0.00 174.62 174.00 2dku s ALA 26 N 2.11 1.62 -0.42 7.40 0.00 0.70 -4.95 121.76 128.23 2dku s ALA 26 Ca 0.01 -0.95 -0.04 0.00 0.00 0.00 0.00 51.96 50.98 2dku s ALA 26 Cb -0.12 -1.18 0.11 0.00 0.00 0.00 0.00 23.12 21.93 2dku s ALA 26 CO -0.06 -0.83 0.23 0.54 0.00 0.00 0.00 175.76 175.63 2dku s VAL 27 N 1.57 3.43 -0.44 0.00 0.11 -1.26 -0.12 120.40 123.69 2dku s VAL 27 Ca -0.00 -2.02 -0.27 0.00 -2.93 0.00 0.00 61.98 56.76 2dku s VAL 27 Cb -0.16 -3.33 -0.03 0.00 -1.53 0.00 0.00 36.38 31.32 2dku s VAL 27 CO -0.08 -0.71 1.99 -0.36 -3.33 0.00 0.00 175.10 172.62 2dku s PHE 28 N 1.17 1.53 -0.03 1.54 0.08 -0.91 -4.73 117.98 116.62 2dku s PHE 28 Ca 0.08 0.86 -0.16 0.00 0.12 0.00 0.00 56.93 57.82 2dku s PHE 28 Cb -0.23 -3.98 -0.05 0.00 -0.57 0.00 0.00 43.02 38.18 2dku s PHE 28 CO -0.04 -2.81 0.45 0.95 -0.10 0.00 0.00 175.22 173.67 2dku s THR 29 N 8.83 5.05 0.28 0.64 -4.23 -1.26 -2.03 115.64 122.92 2dku s THR 29 Ca 0.82 0.92 -0.00 0.00 -1.18 0.00 0.00 61.69 62.25 2dku s THR 29 Cb -0.20 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 69.88 2dku s THR 29 CO 0.28 0.49 0.37 0.00 -0.54 0.00 0.00 174.62 175.22 2dku s LYS 31 N -2.73 1.04 -0.06 0.00 2.20 -0.93 -2.35 119.74 116.90 2dku s LYS 31 Ca 0.25 -1.11 -0.12 0.00 -0.36 0.00 0.00 55.97 54.63 2dku s LYS 31 Cb -0.00 0.36 0.03 0.00 -1.51 0.00 0.00 37.83 36.70 2dku s LYS 31 CO 0.18 -0.36 0.30 0.95 -0.36 0.00 0.00 175.35 176.06 2dku s THR 32 N -3.93 0.03 0.24 3.43 -4.23 -0.75 -3.47 115.64 106.96 2dku s THR 32 Ca 0.13 -0.26 -0.06 0.00 -1.18 0.00 0.00 61.69 60.33 2dku s THR 32 Cb 0.04 -0.52 0.23 0.00 1.34 0.00 0.00 72.50 73.59 2dku s THR 32 CO -0.04 -0.14 1.89 -0.08 -0.54 0.00 0.00 174.62 175.71 2dku h GLU 33 N 4.77 1.11 -6.59 3.99 4.81 -1.80 -3.43 114.58 117.44 2dku h GLU 33 Ca -0.28 -0.07 -0.64 0.00 -0.13 0.00 0.00 59.36 58.25 2dku h GLU 33 Cb 1.18 -0.25 -0.21 0.00 0.63 0.00 0.00 28.75 30.10 2dku h GLU 33 CO 0.35 0.73 -0.85 -1.01 -0.73 0.00 0.00 179.01 177.51 2dku s HIS 34 N -6.09 2.12 -0.95 0.92 3.76 -1.26 -5.00 115.29 108.79 2dku s HIS 34 Ca -0.13 -0.39 -0.24 0.00 -0.15 0.00 0.00 55.06 54.15 2dku s HIS 34 Cb 0.18 -1.13 -0.05 0.00 1.11 0.00 0.00 32.58 32.68 2dku s HIS 34 CO 0.80 0.32 1.94 -1.25 -0.85 0.00 0.00 174.74 175.71 2dku s PRO 35 N -2.13 2.55 -0.11 8.40 0.04 -1.26 -4.92 135.00 137.57 2dku s PRO 35 Ca 0.13 -0.44 -0.37 0.00 0.04 0.00 0.00 61.00 60.36 2dku s PRO 35 Cb -0.09 -5.09 -0.14 0.00 0.04 0.00 0.00 34.50 29.21 2dku s PRO 35 CO 0.06 -3.48 1.70 0.00 0.04 0.00 0.00 177.00 175.32 2dku n ALA 36 N 14.05 0.19 0.30 8.56 0.00 -1.26 -4.81 120.51 137.53 2dku n ALA 36 Ca 0.41 0.38 0.15 0.00 0.00 0.00 0.00 53.44 54.39 2dku n ALA 36 Cb 0.47 -2.30 0.71 0.00 0.00 0.00 0.00 19.45 18.33 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 7.24 1.00 -2.58 0.00 0.00 -1.91 -3.44 119.26 119.58 2dku h ALA 37 Ca -0.47 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 2dku h ALA 37 Cb 1.30 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.93 2dku h ALA 37 CO 0.92 0.00 -0.24 -0.08 0.00 0.00 0.00 179.25 179.85 2dku s THR 38 N -3.63 0.09 -0.18 0.00 -1.32 -1.26 -5.16 115.64 104.18 2dku s THR 38 Ca -0.00 -0.76 -0.05 0.00 -1.21 0.00 0.00 61.69 59.67 2dku s THR 38 Cb 0.09 -1.06 0.09 0.00 -1.51 0.00 0.00 72.50 70.11 2dku s THR 38 CO 0.39 -0.42 0.33 -0.69 -2.21 0.00 0.00 174.62 172.02 2dku s VAL 39 N -3.05 -0.52 -0.37 5.08 1.01 -1.26 -4.53 120.40 116.77 2dku s VAL 39 Ca -0.01 0.13 -0.03 0.00 0.00 0.00 0.00 61.98 62.06 2dku s VAL 39 Cb 0.01 -0.61 0.08 0.00 0.00 0.00 0.00 36.38 35.86 2dku s VAL 39 CO -0.06 0.02 0.14 -0.89 0.00 0.00 0.00 175.10 174.30 2dku s THR 40 N 2.50 3.33 0.64 3.92 2.01 -0.28 -4.97 115.64 122.78 2dku s THR 40 Ca 0.03 -1.72 -0.12 0.00 0.31 0.00 0.00 61.69 60.20 2dku s THR 40 Cb -0.13 -3.12 -0.02 0.00 0.01 0.00 0.00 72.50 69.24 2dku s THR 40 CO -0.12 -0.46 1.04 0.26 -0.69 0.00 0.00 174.62 174.66 2dku s TRP 41 N 1.22 3.30 -0.03 4.92 0.52 -1.26 -2.56 118.94 125.05 2dku s TRP 41 Ca 0.03 1.40 -0.02 0.00 0.02 0.00 0.00 56.10 57.52 2dku s TRP 41 Cb -0.22 -2.84 0.02 0.00 -1.15 0.00 0.00 33.47 29.29 2dku s TRP 41 CO -0.02 -0.95 0.08 0.50 0.02 0.00 0.00 176.95 176.58 2dku s ARG 42 N -4.86 0.07 -0.10 4.98 3.52 0.73 -1.22 118.95 122.07 2dku s ARG 42 Ca 0.58 0.17 0.01 0.00 -0.13 0.00 0.00 55.73 56.36 2dku s ARG 42 Cb -0.13 -0.05 0.02 0.00 -1.56 0.00 0.00 34.95 33.23 2dku s ARG 42 CO 0.50 -0.07 -0.11 0.21 -0.81 0.00 0.00 175.30 175.02 2dku s LYS 43 N 0.45 1.75 -1.11 5.12 2.20 0.16 -0.23 119.74 128.08 2dku s LYS 43 Ca -0.03 -0.37 -0.22 0.00 -0.36 0.00 0.00 55.97 54.98 2dku s LYS 43 Cb -0.05 -1.64 0.01 0.00 -1.51 0.00 0.00 37.83 34.64 2dku s LYS 43 CO -0.02 -0.16 0.74 0.41 -0.36 0.00 0.00 175.35 175.96 2dku n GLY 44 N 4.54 -0.99 3.10 5.54 0.00 -1.19 -0.62 105.19 115.57 2dku n GLY 44 Ca -0.17 0.44 -0.21 0.00 0.00 0.00 0.00 46.02 46.08 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 -4.20 -1.91 -4.07 0.99 4.77 -1.26 -4.96 117.00 106.35 2dku n LEU 45 Ca -0.11 -0.27 -0.16 0.00 -0.03 0.00 0.00 56.01 55.44 2dku n LEU 45 Cb 0.59 -2.46 -0.13 0.00 -2.33 0.00 0.00 43.42 39.09 2dku n LEU 45 CO 0.68 0.14 -0.43 -0.22 -1.33 0.00 0.00 177.39 176.23 2dku s LEU 46 N -6.43 2.17 -0.15 2.23 0.20 0.21 -5.13 118.68 111.78 2dku s LEU 46 Ca 0.30 -0.42 -0.24 0.00 0.69 0.00 0.00 54.13 54.47 2dku s LEU 46 Cb -0.15 -0.36 -0.02 0.00 -0.43 0.00 0.00 46.19 45.22 2dku s LEU 46 CO 0.37 -0.05 0.74 -0.70 -0.29 0.00 0.00 176.35 176.42 2dku s GLU 47 N -1.10 4.31 0.29 1.98 2.12 -1.26 0.40 118.70 125.43 2dku s GLU 47 Ca -0.03 0.87 -0.06 0.00 0.36 0.00 0.00 54.97 56.12 2dku s GLU 47 Cb -0.07 -3.54 -0.05 0.00 0.26 0.00 0.00 34.13 30.72 2dku s GLU 47 CO 0.01 -0.20 0.57 -0.51 -0.54 0.00 0.00 175.26 174.58 2dku s LEU 48 N 1.73 4.05 -0.02 2.70 1.43 -0.35 -4.89 118.68 123.32 2dku s LEU 48 Ca 0.36 0.77 -0.03 0.00 -1.03 0.00 0.00 54.13 54.19 2dku s LEU 48 Cb -0.17 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.47 2dku s LEU 48 CO 0.13 -0.20 0.08 -0.13 0.23 0.00 0.00 176.35 176.47 2dku s ARG 49 N -3.49 0.17 -0.74 1.70 0.52 -1.26 -4.49 118.95 111.37 2dku s ARG 49 Ca 0.45 -0.01 -0.32 0.00 -0.52 0.00 0.00 55.73 55.33 2dku s ARG 49 Cb -0.11 0.07 -0.17 0.00 0.52 0.00 0.00 34.95 35.27 2dku s ARG 49 CO 0.29 -0.03 2.50 0.00 0.02 0.00 0.00 175.30 178.08 2dku n ALA 50 N 2.71 0.49 -2.54 2.13 0.00 -1.24 -4.55 120.51 117.51 2dku n ALA 50 Ca -0.15 -0.32 -0.10 0.00 0.00 0.00 0.00 53.44 52.87 2dku n ALA 50 Cb 0.59 -2.48 -0.08 0.00 0.00 0.00 0.00 19.45 17.47 2dku n ALA 50 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2dku s SER 51 N 9.05 0.11 0.60 0.00 0.01 0.79 -4.97 113.70 119.28 2dku s SER 51 Ca 1.22 -1.03 0.31 0.00 1.31 0.00 0.00 55.95 57.76 2dku s SER 51 Cb -1.01 0.40 1.11 0.00 0.21 0.00 0.00 66.02 66.73 2dku s SER 51 CO 0.46 -0.86 1.40 1.23 0.41 0.00 0.00 173.24 175.88 2dku h GLY 52 N 2.61 0.00 0.00 3.44 0.00 -2.00 -1.60 103.07 105.52 2dku h GLY 52 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2dku h GLY 52 CO 0.51 0.00 -0.18 1.70 0.00 0.00 0.00 176.54 178.57 2dku h LYS 53 N 0.00 0.00 -4.31 4.80 1.63 -1.90 -3.43 116.57 113.35 2dku h LYS 53 Ca 0.54 0.00 -0.74 0.00 -0.85 0.00 0.00 60.65 59.60 2dku h LYS 53 Cb 2.91 0.00 -0.22 0.00 -0.60 0.00 0.00 32.23 34.32 2dku h LYS 53 CO -0.01 0.00 -0.23 -1.01 -3.45 0.00 0.00 179.45 174.76 2dku s HIS 54 N -1.48 3.21 -0.66 1.91 3.76 -0.60 -3.25 115.29 118.18 2dku s HIS 54 Ca -0.05 -1.02 0.01 0.00 -0.15 0.00 0.00 55.06 53.85 2dku s HIS 54 Cb 0.01 -3.48 0.17 0.00 1.11 0.00 0.00 32.58 30.38 2dku s HIS 54 CO 0.08 -0.93 0.46 -1.14 -0.85 0.00 0.00 174.74 172.36 2dku s GLN 55 N 1.78 2.51 1.12 1.40 2.00 -0.94 -0.15 119.66 127.38 2dku s GLN 55 Ca 0.05 -2.90 -0.16 0.00 -2.00 0.00 0.00 55.36 50.35 2dku s GLN 55 Cb -0.26 -3.58 0.25 0.00 0.80 0.00 0.00 33.01 30.22 2dku s GLN 55 CO 0.06 -1.20 1.10 -1.25 -0.50 0.00 0.00 175.29 173.50 2dku s PRO 56 N -0.71 -0.56 0.23 1.67 0.04 -1.26 -3.21 135.00 131.20 2dku s PRO 56 Ca 0.21 0.18 -0.22 0.00 0.04 0.00 0.00 61.00 61.21 2dku s PRO 56 Cb -0.16 -1.65 0.04 0.00 0.04 0.00 0.00 34.50 32.77 2dku s PRO 56 CO -0.07 -3.32 0.67 -1.12 0.04 0.00 0.00 177.00 173.19 2dku s SER 57 N -3.69 -0.39 -0.13 6.66 0.01 -0.79 -4.94 113.70 110.42 2dku s SER 57 Ca 0.69 -0.36 -0.01 0.00 1.31 0.00 0.00 55.95 57.57 2dku s SER 57 Cb -0.14 0.67 0.04 0.00 0.21 0.00 0.00 66.02 66.80 2dku s SER 57 CO 0.57 -1.19 -0.01 -1.58 0.41 0.00 0.00 173.24 171.44 2dku s GLN 58 N -3.85 0.92 -0.60 12.44 0.74 -1.26 -3.73 119.66 124.32 2dku s GLN 58 Ca 0.07 -0.23 0.04 0.00 0.05 0.00 0.00 55.36 55.30 2dku s GLN 58 Cb -0.04 -1.60 0.17 0.00 1.10 0.00 0.00 33.01 32.64 2dku s GLN 58 CO -0.01 -0.42 0.43 -1.21 -0.55 0.00 0.00 175.29 173.52 2dku s GLU 59 N 1.83 1.95 4.95 1.67 0.41 -0.41 -5.04 118.70 124.05 2dku s GLU 59 Ca 0.02 -2.90 0.00 0.00 -0.41 0.00 0.00 54.97 51.68 2dku s GLU 59 Cb -0.14 -2.80 0.00 0.00 -1.78 0.00 0.00 34.13 29.41 2dku s GLU 59 CO -0.07 -1.30 0.00 0.41 -0.49 0.00 0.00 175.26 173.81 2dku n GLY 60 N 2.34 1.03 0.82 -1.39 0.00 -1.26 -1.09 105.19 105.64 2dku n GLY 60 Ca 0.21 0.37 0.07 0.00 0.00 0.00 0.00 46.02 46.68 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 3.42 -4.04 0.99 4.77 -1.26 -4.15 117.00 116.73 2dku n LEU 61 Ca 0.00 -2.38 -0.29 0.00 -0.03 0.00 0.00 56.01 53.31 2dku n LEU 61 Cb 0.00 -0.37 -0.17 0.00 -2.33 0.00 0.00 43.42 40.55 2dku n LEU 61 CO 0.00 0.72 -0.49 -0.89 -1.33 0.00 0.00 177.39 175.40 2dku s THR 62 N -1.68 1.54 0.21 -5.08 2.01 -0.25 -1.81 115.64 110.59 2dku s THR 62 Ca 0.32 -0.64 0.11 0.00 0.31 0.00 0.00 61.69 61.79 2dku s THR 62 Cb 0.21 -1.43 -0.05 0.00 0.01 0.00 0.00 72.50 71.25 2dku s THR 62 CO 0.14 0.45 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.54 2dku s LEU 63 N 1.21 2.47 0.06 4.42 1.43 -0.99 -1.29 118.68 125.99 2dku s LEU 63 Ca -0.01 -0.91 -0.25 0.00 -1.03 0.00 0.00 54.13 51.93 2dku s LEU 63 Cb -0.14 -1.14 0.06 0.00 0.03 0.00 0.00 46.19 45.00 2dku s LEU 63 CO -0.06 0.10 0.60 0.00 0.23 0.00 0.00 176.35 177.21 2dku s ARG 64 N -2.88 1.14 -0.29 1.70 1.70 -1.24 -0.81 118.95 118.27 2dku s ARG 64 Ca 0.23 -0.19 -0.01 0.00 -0.47 0.00 0.00 55.73 55.29 2dku s ARG 64 Cb -0.07 0.53 0.09 0.00 -0.57 0.00 0.00 34.95 34.93 2dku s ARG 64 CO 0.11 -0.43 0.09 -1.17 -1.08 0.00 0.00 175.30 172.81 2dku s LEU 65 N -2.06 1.98 0.01 -1.89 2.96 -0.86 -1.89 118.68 116.93 2dku s LEU 65 Ca -0.04 -1.48 -0.30 0.00 -0.22 0.00 0.00 54.13 52.08 2dku s LEU 65 Cb -0.01 -0.80 -0.05 0.00 0.50 0.00 0.00 46.19 45.84 2dku s LEU 65 CO -0.03 -0.40 1.24 -0.89 -1.32 0.00 0.00 176.35 174.95 2dku s THR 66 N 1.68 4.04 -0.16 3.68 2.01 -1.20 -2.15 115.64 123.55 2dku s THR 66 Ca 0.08 1.43 0.00 0.00 0.31 0.00 0.00 61.69 63.51 2dku s THR 66 Cb -0.17 -3.92 0.02 0.00 0.01 0.00 0.00 72.50 68.44 2dku s THR 66 CO -0.23 0.05 -0.14 -0.63 -0.69 0.00 0.00 174.62 172.98 2dku s ILE 67 N 1.70 1.60 0.33 1.82 1.01 0.82 -2.22 121.20 126.27 2dku s ILE 67 Ca 0.59 -0.69 0.09 0.00 0.00 0.00 0.00 60.65 60.64 2dku s ILE 67 Cb -0.28 -1.52 -0.05 0.00 0.01 0.00 0.00 42.46 40.61 2dku s ILE 67 CO 0.26 0.43 -0.01 -0.44 0.00 0.00 0.00 174.94 175.18 2dku s SER 68 N 1.47 4.15 -1.16 3.58 0.01 -1.20 -0.21 113.70 120.33 2dku s SER 68 Ca 0.04 -0.97 0.00 0.00 1.31 0.00 0.00 55.95 56.33 2dku s SER 68 Cb -0.13 -0.53 0.00 0.00 0.21 0.00 0.00 66.02 65.56 2dku s SER 68 CO -0.11 -0.20 0.00 0.00 0.41 0.00 0.00 173.24 173.35 2dku n ALA 69 N -0.92 -0.33 -0.60 1.44 0.00 -1.13 -4.80 120.51 114.18 2dku n ALA 69 Ca -0.04 0.13 -0.23 0.00 0.00 0.00 0.00 53.44 53.30 2dku n ALA 69 Cb 0.62 -1.51 0.14 0.00 0.00 0.00 0.00 19.45 18.70 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 -1.73 -1.75 -3.85 0.00 4.77 -1.26 -4.52 117.00 108.67 2dku n LEU 70 Ca -0.14 -0.29 -0.01 0.00 -0.03 0.00 0.00 56.01 55.54 2dku n LEU 70 Cb 0.56 -0.79 0.01 0.00 -2.33 0.00 0.00 43.42 40.87 2dku n LEU 70 CO 0.18 -3.13 0.91 -1.83 -1.33 0.00 0.00 177.39 172.20 2dku s GLU 71 N -3.33 0.91 0.56 3.23 -1.05 -1.26 -0.72 118.70 117.04 2dku s GLU 71 Ca 0.41 -0.57 0.28 0.00 -0.15 0.00 0.00 54.97 54.94 2dku s GLU 71 Cb -0.06 0.27 1.47 0.00 -0.44 0.00 0.00 34.13 35.37 2dku s GLU 71 CO 0.44 -0.43 1.96 0.87 0.95 0.00 0.00 175.26 179.05 2dku h LYS 72 N 2.00 0.00 -0.14 -4.83 1.79 -1.92 -0.66 116.57 112.81 2dku h LYS 72 Ca -0.26 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.15 2dku h LYS 72 Cb 1.21 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.86 2dku h LYS 72 CO 0.32 0.00 -0.15 0.00 -1.08 0.00 0.00 179.45 178.54 2dku h ALA 73 N 1.61 0.21 -0.96 3.86 0.00 -1.95 -3.16 119.26 118.87 2dku h ALA 73 Ca 0.25 -0.33 0.38 0.00 0.00 0.00 0.00 54.91 55.21 2dku h ALA 73 Cb 1.13 -0.04 -0.17 0.00 0.00 0.00 0.00 17.79 18.70 2dku h ALA 73 CO -0.00 0.10 0.43 -0.25 0.00 0.00 0.00 179.25 179.52 2dku n ASP 74 N -4.55 0.26 -4.52 0.00 9.92 -0.25 -4.27 116.55 113.13 2dku n ASP 74 Ca -0.06 1.59 -0.35 0.00 -0.53 0.00 0.00 54.79 55.44 2dku n ASP 74 Cb 0.36 -0.74 -0.13 0.00 -0.64 0.00 0.00 41.12 39.98 2dku n ASP 74 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2dku n SER 75 N -5.21 0.67 -3.21 -2.24 7.64 -1.20 -4.76 113.62 105.32 2dku n SER 75 Ca 0.34 -0.21 -0.03 0.00 1.01 0.00 0.00 58.87 59.98 2dku n SER 75 Cb 1.15 -1.09 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 0.47 -3.01 0.00 0.00 175.04 172.50 2dku n ASP 76 N 11.76 -1.72 -4.52 6.43 8.00 -1.26 -5.02 116.55 130.22 2dku n ASP 76 Ca 0.58 -1.92 -0.42 0.00 0.71 0.00 0.00 54.79 53.74 2dku n ASP 76 Cb 0.20 2.80 -0.08 0.00 -0.02 0.00 0.00 41.12 44.02 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 -2.08 5.06 0.34 -3.53 2.01 -1.26 -3.11 115.64 113.07 2dku s THR 77 Ca 0.22 -0.03 -0.09 0.00 0.31 0.00 0.00 61.69 62.10 2dku s THR 77 Cb -0.03 -3.99 -0.06 0.00 0.01 0.00 0.00 72.50 68.43 2dku s THR 77 CO 0.06 -0.31 0.67 -0.31 -0.69 0.00 0.00 174.62 174.04 2dku s TYR 78 N 2.25 3.46 -0.12 4.92 1.51 -0.79 -3.16 117.35 125.41 2dku s TYR 78 Ca 0.15 0.92 -0.04 0.00 -1.01 0.00 0.00 57.07 57.09 2dku s TYR 78 Cb -0.16 -2.32 0.05 0.00 -0.11 0.00 0.00 41.96 39.41 2dku s TYR 78 CO 0.14 0.05 0.07 0.99 -1.11 0.00 0.00 175.55 175.69 2dku s THR 79 N -2.17 -0.04 -0.51 -0.71 2.01 0.68 -2.39 115.64 112.51 2dku s THR 79 Ca 0.49 0.04 -0.17 0.00 0.31 0.00 0.00 61.69 62.35 2dku s THR 79 Cb -0.11 -0.45 0.08 0.00 0.01 0.00 0.00 72.50 72.04 2dku s THR 79 CO 0.28 -0.09 0.53 0.00 -0.69 0.00 0.00 174.62 174.65 2dku s ASP 81 N 2.98 6.51 -0.04 0.00 2.15 -1.06 -2.02 116.67 125.19 2dku s ASP 81 Ca 0.08 0.58 0.04 0.00 0.43 0.00 0.00 52.55 53.68 2dku s ASP 81 Cb -0.24 -2.10 -0.06 0.00 -0.30 0.00 0.00 42.92 40.23 2dku s ASP 81 CO 0.07 0.23 0.02 2.30 -0.17 0.00 0.00 175.17 177.63 2dku n ILE 82 N 1.03 0.28 0.00 4.11 -5.35 -0.98 -1.13 119.36 117.32 2dku n ILE 82 Ca -0.10 -0.18 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 2dku n ILE 82 Cb 0.53 -0.77 0.00 0.00 -1.74 0.00 0.00 39.64 37.66 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 2.68 1.58 0.00 3.28 0.00 -1.26 -4.47 105.19 107.00 2dku n GLY 83 Ca -0.07 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 3.03 -4.27 1.61 -0.06 -1.26 -5.07 117.38 111.36 2dku n GLN 84 Ca 0.00 0.00 -0.14 0.00 -2.00 0.00 0.00 57.00 54.86 2dku n GLN 84 Cb 0.00 -0.98 -0.10 0.00 -4.06 0.00 0.00 30.24 25.10 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 -1.96 1.47 -0.11 1.69 0.00 -1.26 -4.91 121.76 116.69 2dku s ALA 85 Ca 0.00 -1.69 -0.07 0.00 0.00 0.00 0.00 51.96 50.21 2dku s ALA 85 Cb 0.00 0.73 0.04 0.00 0.00 0.00 0.00 23.12 23.89 2dku s ALA 85 CO 0.00 -0.37 0.26 -0.65 0.00 0.00 0.00 175.76 175.00 2dku s GLN 86 N -3.96 0.24 0.63 0.00 1.11 -1.26 -2.33 119.66 114.09 2dku s GLN 86 Ca 0.29 0.49 0.06 0.00 0.01 0.00 0.00 55.36 56.21 2dku s GLN 86 Cb 0.07 -0.04 0.11 0.00 -1.01 0.00 0.00 33.01 32.14 2dku s GLN 86 CO 0.07 -0.12 0.88 0.45 0.01 0.00 0.00 175.29 176.57 2dku s SER 87 N 0.93 4.79 -0.18 5.90 0.15 -0.86 -4.92 113.70 119.52 2dku s SER 87 Ca -0.07 -0.72 -0.14 0.00 0.70 0.00 0.00 55.95 55.72 2dku s SER 87 Cb -0.08 0.26 0.05 0.00 -1.71 0.00 0.00 66.02 64.55 2dku s SER 87 CO -0.06 -1.57 0.47 -0.13 1.20 0.00 0.00 173.24 173.15 2dku s ARG 88 N -4.85 0.52 -0.02 5.44 0.52 -1.26 -3.07 118.95 116.22 2dku s ARG 88 Ca 0.64 0.73 -0.05 0.00 -0.52 0.00 0.00 55.73 56.53 2dku s ARG 88 Cb -0.05 0.18 0.00 0.00 0.52 0.00 0.00 34.95 35.60 2dku s ARG 88 CO 0.41 -0.10 0.12 0.00 0.02 0.00 0.00 175.30 175.75 2dku s ALA 89 N 0.66 -0.28 -0.20 2.13 0.00 -1.01 -4.58 121.76 118.48 2dku s ALA 89 Ca -0.03 0.06 -0.09 0.00 0.00 0.00 0.00 51.96 51.90 2dku s ALA 89 Cb -0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 2dku s ALA 89 CO -0.04 -0.14 0.10 -0.65 0.00 0.00 0.00 175.76 175.03 2dku s GLN 90 N -0.71 4.03 0.13 0.00 -0.21 -1.26 -1.88 119.66 119.76 2dku s GLN 90 Ca -0.08 -0.30 0.04 0.00 0.02 0.00 0.00 55.36 55.04 2dku s GLN 90 Cb -0.05 -3.35 -0.04 0.00 1.00 0.00 0.00 33.01 30.58 2dku s GLN 90 CO 0.01 0.21 0.14 -1.17 -2.12 0.00 0.00 175.29 172.36 2dku s LEU 91 N 0.59 3.90 -0.21 2.90 2.96 -1.18 -2.32 118.68 125.32 2dku s LEU 91 Ca 0.05 -0.04 -0.03 0.00 -0.22 0.00 0.00 54.13 53.90 2dku s LEU 91 Cb -0.12 -2.53 0.07 0.00 0.50 0.00 0.00 46.19 44.11 2dku s LEU 91 CO 0.01 0.10 0.06 -0.22 -1.32 0.00 0.00 176.35 174.98 2dku s LEU 92 N -2.90 1.05 -0.79 -0.68 2.96 -0.36 -4.18 118.68 113.77 2dku s LEU 92 Ca 0.31 -0.91 -0.19 0.00 -0.22 0.00 0.00 54.13 53.13 2dku s LEU 92 Cb -0.11 -0.53 0.13 0.00 0.50 0.00 0.00 46.19 46.18 2dku s LEU 92 CO 0.24 -0.34 0.94 -0.69 -1.32 0.00 0.00 176.35 175.18 2dku s VAL 93 N 1.92 4.82 0.99 1.68 1.01 -1.26 -1.87 120.40 127.70 2dku s VAL 93 Ca 0.02 -1.38 -0.11 0.00 0.00 0.00 0.00 61.98 60.51 2dku s VAL 93 Cb -0.17 -4.64 0.19 0.00 0.00 0.00 0.00 36.38 31.76 2dku s VAL 93 CO -0.13 -1.33 1.09 -1.10 0.00 0.00 0.00 175.10 173.63 2dku s GLN 94 N 2.51 0.43 -0.50 2.72 -1.52 -0.59 -4.53 119.66 118.19 2dku s GLN 94 Ca 0.23 1.17 -0.18 0.00 -1.95 0.00 0.00 55.36 54.63 2dku s GLN 94 Cb -0.12 -1.69 0.06 0.00 -0.22 0.00 0.00 33.01 31.04 2dku s GLN 94 CO -0.02 -2.91 0.57 0.20 -0.25 0.00 0.00 175.29 172.88 2dku s GLY 95 N -2.77 1.83 0.24 3.09 0.00 -1.26 -0.52 107.32 107.94 2dku s GLY 95 Ca 0.67 -1.81 -0.08 0.00 0.00 0.00 0.00 44.72 43.50 2dku s GLY 95 CO 0.60 1.38 1.63 -0.09 0.00 0.00 0.00 173.10 176.61 2dku h ARG 96 N 8.93 0.07 -2.53 2.90 2.43 -1.91 -3.41 114.38 120.87 2dku h ARG 96 Ca -0.28 -0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 58.80 2dku h ARG 96 Cb 1.10 -0.02 -0.26 0.00 -0.42 0.00 0.00 29.97 30.37 2dku h ARG 96 CO 0.94 0.05 -0.29 0.50 -1.51 0.00 0.00 179.97 179.66 2dku s ARG 97 N -6.14 0.40 -1.54 0.20 6.06 -1.26 -5.05 118.95 111.61 2dku s ARG 97 Ca -0.14 0.93 -0.09 0.00 -2.50 0.00 0.00 55.73 53.93 2dku s ARG 97 Cb 0.22 0.13 -0.05 0.00 0.06 0.00 0.00 34.95 35.31 2dku s ARG 97 CO 0.75 -0.19 2.87 0.43 -2.50 0.00 0.00 175.30 176.66 2dku n SER 98 N 4.69 8.58 -1.74 -2.12 7.64 -1.26 -4.90 113.62 124.51 2dku n SER 98 Ca -0.18 -2.68 0.00 0.00 1.01 0.00 0.00 58.87 57.03 2dku n SER 98 Cb 0.53 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 2dku n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dku n GLY 99 N 3.20 1.31 0.00 0.23 0.00 -1.26 -4.95 105.19 103.72 2dku n GLY 99 Ca 0.75 -2.02 0.08 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.81 0.39 -2.20 1.61 -0.04 -1.26 -4.79 135.00 127.90 2dku n PRO 100 Ca 0.00 0.05 -0.41 0.00 -0.04 0.00 0.00 63.50 63.10 2dku n PRO 100 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 2dku n PRO 100 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dku s SER 101 N -2.19 6.89 0.23 3.54 1.04 -1.26 -4.92 113.70 117.02 2dku s SER 101 Ca 0.20 2.51 -0.06 0.00 0.48 0.00 0.00 55.95 59.07 2dku s SER 101 Cb 0.10 -2.63 0.39 0.00 0.10 0.00 0.00 66.02 63.99 2dku s SER 101 CO 0.20 -0.49 1.72 0.28 0.98 0.00 0.00 173.24 175.93 2dku h SER 102 N 4.40 0.16 0.00 7.02 0.02 -1.99 -3.51 113.55 119.65 2dku h SER 102 Ca -0.47 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 2dku h SER 102 Cb 1.22 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.87 2dku h SER 102 CO 0.71 0.06 0.00 0.61 -1.14 0.00 0.00 176.83 177.08