#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 2.87 -1.48 1.61 0.15 -1.26 -4.69 113.70 110.90 2dku s SER 2 Ca 0.00 -0.45 -0.13 0.00 0.70 0.00 0.00 55.95 56.08 2dku s SER 2 Cb 0.00 -0.39 0.09 0.00 -1.71 0.00 0.00 66.02 64.01 2dku s SER 2 CO 0.00 0.29 0.74 -0.24 1.20 0.00 0.00 173.24 175.23 2dku n SER 3 N 2.55 -4.23 -0.08 5.45 2.88 -1.26 -4.88 113.62 114.05 2dku n SER 3 Ca -0.16 -0.64 -0.08 0.00 -1.33 0.00 0.00 58.87 56.66 2dku n SER 3 Cb 0.52 -3.44 -0.03 0.00 -0.75 0.00 0.00 64.21 60.52 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 -1.43 -0.59 0.13 0.46 0.00 -1.26 -4.77 105.19 97.74 2dku n GLY 4 Ca 0.02 -0.28 -0.22 0.00 0.00 0.00 0.00 46.02 45.54 2dku n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dku h SER 5 N -0.90 0.49 -2.94 1.61 0.02 -1.93 -3.46 113.55 106.44 2dku h SER 5 Ca 0.00 -0.90 -0.64 0.00 -0.84 0.00 0.00 61.79 59.41 2dku h SER 5 Cb 0.84 -0.16 -0.10 0.00 0.14 0.00 0.00 62.40 63.12 2dku h SER 5 CO 0.00 1.69 -0.49 -0.44 -1.14 0.00 0.00 176.83 176.45 2dku s SER 6 N -7.15 6.26 0.00 3.07 0.01 -1.26 -5.02 113.70 109.61 2dku s SER 6 Ca -0.18 0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.43 2dku s SER 6 Cb 0.05 -2.06 0.00 0.00 0.21 0.00 0.00 66.02 64.22 2dku s SER 6 CO 0.81 0.31 0.00 0.61 0.41 0.00 0.00 173.24 175.37 2dku n GLY 7 N 2.67 -0.01 3.89 3.44 0.00 -1.26 -4.39 105.19 109.53 2dku n GLY 7 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.60 2.87 0.26 4.61 0.00 -1.26 -5.07 121.76 120.58 2dku s ALA 8 Ca 0.00 -0.51 0.08 0.00 0.00 0.00 0.00 51.96 51.53 2dku s ALA 8 Cb 0.00 -2.94 -0.04 0.00 0.00 0.00 0.00 23.12 20.14 2dku s ALA 8 CO 0.00 -1.29 0.08 1.21 0.00 0.00 0.00 175.76 175.76 2dku s ASN 9 N -4.44 4.96 0.31 0.00 3.84 -1.26 -5.00 114.94 113.36 2dku s ASN 9 Ca 0.59 -0.48 -0.05 0.00 0.21 0.00 0.00 52.86 53.13 2dku s ASN 9 Cb -0.11 -1.08 -0.00 0.00 -0.55 0.00 0.00 41.25 39.51 2dku s ASN 9 CO 0.50 -0.02 0.45 0.00 -2.79 0.00 0.00 177.10 175.24 2dku s PHE 11 N -3.35 3.16 0.20 0.00 0.40 -1.26 -1.18 117.98 115.95 2dku s PHE 11 Ca 0.29 -1.40 0.07 0.00 -0.60 0.00 0.00 56.93 55.29 2dku s PHE 11 Cb 0.00 -2.17 0.09 0.00 0.51 0.00 0.00 43.02 41.46 2dku s PHE 11 CO 0.17 -0.69 1.45 1.79 0.70 0.00 0.00 175.22 178.64 2dku h THR 12 N 6.11 1.54 -3.19 0.64 1.35 -1.85 -3.41 112.91 114.11 2dku h THR 12 Ca -0.29 -2.64 -0.59 0.00 -0.55 0.00 0.00 66.41 62.34 2dku h THR 12 Cb 1.10 2.43 -0.40 0.00 -1.73 0.00 0.00 68.15 69.55 2dku h THR 12 CO 0.58 0.76 -0.75 -1.61 -0.25 0.00 0.00 175.52 174.25 2dku s GLU 13 N -3.24 0.83 0.67 4.72 2.02 -1.26 -5.03 118.70 117.41 2dku s GLU 13 Ca -0.01 -1.23 -0.16 0.00 0.02 0.00 0.00 54.97 53.59 2dku s GLU 13 Cb 0.11 -2.14 0.01 0.00 0.10 0.00 0.00 34.13 32.21 2dku s GLU 13 CO 0.80 -1.00 1.15 -1.21 0.02 0.00 0.00 175.26 175.02 2dku s GLU 14 N 1.44 2.64 1.16 1.61 2.02 -1.26 -2.21 118.70 124.10 2dku s GLU 14 Ca 0.11 1.55 -0.17 0.00 0.02 0.00 0.00 54.97 56.47 2dku s GLU 14 Cb -0.18 -1.92 0.18 0.00 0.10 0.00 0.00 34.13 32.32 2dku s GLU 14 CO -0.21 -1.40 0.33 1.28 0.02 0.00 0.00 175.26 175.27 2dku n LEU 15 N -2.38 -1.94 -3.75 1.80 4.77 -1.26 -4.90 117.00 109.33 2dku n LEU 15 Ca 0.12 -0.26 -0.18 0.00 -0.03 0.00 0.00 56.01 55.65 2dku n LEU 15 Cb 0.51 -0.99 -0.17 0.00 -2.33 0.00 0.00 43.42 40.45 2dku n LEU 15 CO 0.47 -3.31 -0.36 0.28 -1.33 0.00 0.00 177.39 173.15 2dku s THR 16 N -2.23 0.03 -0.06 -5.08 -1.32 -1.26 -4.93 115.64 100.79 2dku s THR 16 Ca 0.57 0.24 -0.41 0.00 -1.21 0.00 0.00 61.69 60.88 2dku s THR 16 Cb -0.14 -0.20 -0.20 0.00 -1.51 0.00 0.00 72.50 70.46 2dku s THR 16 CO 0.60 0.15 1.13 0.59 -2.21 0.00 0.00 174.62 174.88 2dku n ASN 17 N 4.63 0.13 -4.54 8.08 3.02 -1.26 -4.89 115.26 120.42 2dku n ASN 17 Ca -0.17 1.16 -0.33 0.00 -0.03 0.00 0.00 54.58 55.21 2dku n ASN 17 Cb 0.50 -0.92 -0.12 0.00 -0.61 0.00 0.00 39.78 38.64 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 0.34 2.98 -0.15 3.41 1.43 -1.12 -5.02 118.68 120.56 2dku s LEU 18 Ca 0.93 -0.16 -0.02 0.00 -1.03 0.00 0.00 54.13 53.85 2dku s LEU 18 Cb -1.30 -1.67 0.05 0.00 0.03 0.00 0.00 46.19 43.30 2dku s LEU 18 CO 0.60 0.32 0.01 -1.58 0.23 0.00 0.00 176.35 175.93 2dku s GLN 19 N -1.04 0.76 -0.15 1.70 -0.44 -1.26 -1.14 119.66 118.08 2dku s GLN 19 Ca 0.14 -0.25 -0.12 0.00 -2.50 0.00 0.00 55.36 52.63 2dku s GLN 19 Cb -0.11 -1.70 0.04 0.00 -1.64 0.00 0.00 33.01 29.60 2dku s GLN 19 CO 0.03 -0.49 0.38 0.08 0.50 0.00 0.00 175.29 175.79 2dku s VAL 20 N 1.87 -0.01 0.78 1.34 1.01 -0.66 -5.00 120.40 119.73 2dku s VAL 20 Ca 0.01 0.03 -0.15 0.00 0.00 0.00 0.00 61.98 61.88 2dku s VAL 20 Cb -0.15 -0.54 -0.00 0.00 0.00 0.00 0.00 36.38 35.68 2dku s VAL 20 CO -0.07 0.01 0.62 -0.62 0.00 0.00 0.00 175.10 175.04 2dku n GLU 21 N 3.32 0.18 -0.70 2.72 1.02 -1.26 -2.71 120.64 123.20 2dku n GLU 21 Ca -0.16 0.11 -0.32 0.00 -0.02 0.00 0.00 57.16 56.77 2dku n GLU 21 Cb 0.57 -1.94 0.16 0.00 -0.02 0.00 0.00 31.44 30.20 2dku n GLU 21 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2dku n GLU 22 N -1.35 -0.48 -2.06 3.49 0.28 0.40 -2.86 120.64 118.06 2dku n GLU 22 Ca 0.10 -0.08 -0.19 0.00 -0.16 0.00 0.00 57.16 56.83 2dku n GLU 22 Cb 0.51 -2.20 -0.04 0.00 1.43 0.00 0.00 31.44 31.14 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 -3.44 -1.44 0.00 3.44 4.76 -0.94 -4.77 118.16 115.76 2dku n LYS 23 Ca 0.10 1.01 0.00 0.00 -2.87 0.00 0.00 58.31 56.55 2dku n LYS 23 Cb 0.53 -5.47 0.00 0.00 -1.84 0.00 0.00 35.03 28.24 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 -0.88 0.99 3.63 0.72 0.00 -1.13 -4.74 105.19 103.79 2dku n GLY 24 Ca -0.21 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.78 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 3.79 -0.66 -0.15 2.61 2.01 -1.26 -3.27 115.64 118.72 2dku s THR 25 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 2dku s THR 25 Cb 0.00 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.53 2dku s THR 25 CO 0.00 0.00 -0.14 0.00 -0.69 0.00 0.00 174.62 173.79 2dku s ALA 26 N 2.47 1.82 -0.36 7.40 0.00 -0.71 -4.96 121.76 127.42 2dku s ALA 26 Ca -0.07 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 51.03 2dku s ALA 26 Cb -0.09 -1.04 0.10 0.00 0.00 0.00 0.00 23.12 22.08 2dku s ALA 26 CO -0.19 -0.38 0.09 0.54 0.00 0.00 0.00 175.76 175.82 2dku s VAL 27 N 1.50 2.63 -0.57 0.00 0.11 -1.26 0.13 120.40 122.94 2dku s VAL 27 Ca 0.05 -2.20 -0.26 0.00 -2.93 0.00 0.00 61.98 56.64 2dku s VAL 27 Cb -0.13 -2.86 -0.06 0.00 -1.53 0.00 0.00 36.38 31.80 2dku s VAL 27 CO -0.11 -0.59 2.21 -0.36 -3.33 0.00 0.00 175.10 172.92 2dku s PHE 28 N 1.00 1.30 0.02 1.54 0.08 -0.86 -4.71 117.98 116.35 2dku s PHE 28 Ca 0.09 1.30 -0.22 0.00 0.12 0.00 0.00 56.93 58.22 2dku s PHE 28 Cb -0.20 -3.76 -0.05 0.00 -0.57 0.00 0.00 43.02 38.43 2dku s PHE 28 CO -0.06 -2.36 0.66 0.95 -0.10 0.00 0.00 175.22 174.31 2dku s THR 29 N 11.27 4.83 0.25 0.64 -4.23 -1.26 -2.08 115.64 125.05 2dku s THR 29 Ca 0.86 1.40 -0.00 0.00 -1.18 0.00 0.00 61.69 62.76 2dku s THR 29 Cb -0.15 -4.00 0.00 0.00 1.34 0.00 0.00 72.50 69.69 2dku s THR 29 CO 0.22 0.40 0.33 0.00 -0.54 0.00 0.00 174.62 175.03 2dku s LYS 31 N -2.65 1.37 -0.04 0.00 2.20 -0.94 -1.98 119.74 117.70 2dku s LYS 31 Ca 0.22 -1.22 -0.11 0.00 -0.36 0.00 0.00 55.97 54.50 2dku s LYS 31 Cb -0.00 0.43 0.02 0.00 -1.51 0.00 0.00 37.83 36.77 2dku s LYS 31 CO 0.16 -0.54 0.26 0.95 -0.36 0.00 0.00 175.35 175.82 2dku s THR 32 N -4.00 0.04 0.43 3.43 -4.23 -0.81 -3.79 115.64 106.71 2dku s THR 32 Ca 0.21 -0.35 0.11 0.00 -1.18 0.00 0.00 61.69 60.48 2dku s THR 32 Cb 0.01 -0.50 0.21 0.00 1.34 0.00 0.00 72.50 73.57 2dku s THR 32 CO 0.05 -0.19 2.02 -0.08 -0.54 0.00 0.00 174.62 175.87 2dku h GLU 33 N 4.62 0.23 -5.90 3.99 4.57 -1.47 -3.43 114.58 117.19 2dku h GLU 33 Ca -0.29 -0.03 -0.52 0.00 -1.18 0.00 0.00 59.36 57.35 2dku h GLU 33 Cb 1.19 -0.04 -0.22 0.00 -0.16 0.00 0.00 28.75 29.51 2dku h GLU 33 CO 0.37 0.26 -0.81 -1.01 -1.18 0.00 0.00 179.01 176.64 2dku s HIS 34 N -4.99 1.61 -0.88 0.92 3.76 -1.26 -5.02 115.29 109.43 2dku s HIS 34 Ca -0.06 -0.42 -0.25 0.00 -0.15 0.00 0.00 55.06 54.18 2dku s HIS 34 Cb 0.16 -0.90 -0.05 0.00 1.11 0.00 0.00 32.58 32.91 2dku s HIS 34 CO 0.71 0.15 1.94 -1.25 -0.85 0.00 0.00 174.74 175.44 2dku s PRO 35 N -1.74 2.56 0.47 8.40 0.04 -1.26 -4.94 135.00 138.53 2dku s PRO 35 Ca 0.04 -0.22 -0.23 0.00 0.04 0.00 0.00 61.00 60.62 2dku s PRO 35 Cb -0.10 -5.01 -0.09 0.00 0.04 0.00 0.00 34.50 29.34 2dku s PRO 35 CO 0.03 -3.33 1.11 0.00 0.04 0.00 0.00 177.00 174.86 2dku n ALA 36 N 13.87 0.66 0.05 8.56 0.00 -1.26 -4.92 120.51 137.47 2dku n ALA 36 Ca 0.39 0.18 -0.02 0.00 0.00 0.00 0.00 53.44 53.99 2dku n ALA 36 Cb 0.47 -2.17 -0.07 0.00 0.00 0.00 0.00 19.45 17.68 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 1.48 0.64 -3.00 0.00 0.00 -1.92 -3.47 119.26 112.99 2dku h ALA 37 Ca -0.47 -0.86 -0.16 0.00 0.00 0.00 0.00 54.91 53.42 2dku h ALA 37 Cb 1.33 0.19 -0.23 0.00 0.00 0.00 0.00 17.79 19.07 2dku h ALA 37 CO 0.57 0.99 -0.51 -0.08 0.00 0.00 0.00 179.25 180.21 2dku s THR 38 N -2.86 0.05 -0.07 0.00 -1.32 -1.26 -5.15 115.64 105.02 2dku s THR 38 Ca -0.01 -0.42 0.01 0.00 -1.21 0.00 0.00 61.69 60.06 2dku s THR 38 Cb 0.08 -0.34 0.02 0.00 -1.51 0.00 0.00 72.50 70.75 2dku s THR 38 CO 0.80 -0.23 -0.08 -0.69 -2.21 0.00 0.00 174.62 172.21 2dku s VAL 39 N -0.79 0.86 -0.40 5.08 1.01 -1.26 -4.44 120.40 120.46 2dku s VAL 39 Ca -0.09 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.63 2dku s VAL 39 Cb -0.05 -0.85 0.11 0.00 0.00 0.00 0.00 36.38 35.59 2dku s VAL 39 CO 0.01 0.31 0.14 -0.89 0.00 0.00 0.00 175.10 174.67 2dku s THR 40 N 1.10 2.71 0.33 3.92 2.01 0.82 -4.98 115.64 121.55 2dku s THR 40 Ca -0.07 -2.39 -0.26 0.00 0.31 0.00 0.00 61.69 59.27 2dku s THR 40 Cb -0.14 -2.92 -0.09 0.00 0.01 0.00 0.00 72.50 69.35 2dku s THR 40 CO -0.01 -0.67 1.01 0.26 -0.69 0.00 0.00 174.62 174.52 2dku s TRP 41 N 0.80 3.57 0.04 4.92 0.52 -1.26 -2.02 118.94 125.51 2dku s TRP 41 Ca 0.11 1.74 0.06 0.00 0.02 0.00 0.00 56.10 58.02 2dku s TRP 41 Cb -0.21 -3.06 -0.02 0.00 -1.15 0.00 0.00 33.47 29.03 2dku s TRP 41 CO -0.06 -0.17 -0.16 0.50 0.02 0.00 0.00 176.95 177.08 2dku s ARG 42 N -1.99 1.03 -0.07 4.98 3.52 0.14 -1.40 118.95 125.16 2dku s ARG 42 Ca 0.51 -0.82 -0.03 0.00 -0.13 0.00 0.00 55.73 55.25 2dku s ARG 42 Cb -0.23 -1.07 0.04 0.00 -1.56 0.00 0.00 34.95 32.13 2dku s ARG 42 CO 0.29 0.27 0.13 0.21 -0.81 0.00 0.00 175.30 175.39 2dku s LYS 43 N -1.21 0.00 -1.29 5.12 2.20 0.69 -0.53 119.74 124.71 2dku s LYS 43 Ca 0.03 0.49 -0.02 0.00 -0.36 0.00 0.00 55.97 56.12 2dku s LYS 43 Cb -0.08 -0.38 -0.00 0.00 -1.51 0.00 0.00 37.83 35.85 2dku s LYS 43 CO 0.02 -0.32 0.70 0.41 -0.36 0.00 0.00 175.35 175.79 2dku n GLY 44 N 5.32 -0.36 2.46 5.54 0.00 -1.17 -1.07 105.19 115.90 2dku n GLY 44 Ca -0.04 0.16 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 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 -4.23 -1.89 -4.04 0.99 4.77 -1.26 -4.97 117.00 106.37 2dku n LEU 45 Ca -0.28 -0.01 -0.22 0.00 -0.03 0.00 0.00 56.01 55.47 2dku n LEU 45 Cb 0.67 -2.83 -0.16 0.00 -2.33 0.00 0.00 43.42 38.77 2dku n LEU 45 CO 0.68 -0.17 -0.46 -0.22 -1.33 0.00 0.00 177.39 175.90 2dku s LEU 46 N -6.04 1.80 -0.01 2.23 2.96 -0.23 -5.12 118.68 114.27 2dku s LEU 46 Ca 0.03 -0.24 -0.30 0.00 -0.22 0.00 0.00 54.13 53.40 2dku s LEU 46 Cb -0.01 -0.69 -0.03 0.00 0.50 0.00 0.00 46.19 45.96 2dku s LEU 46 CO 0.03 0.08 1.06 -0.70 -1.32 0.00 0.00 176.35 175.50 2dku s GLU 47 N 0.20 4.49 0.67 1.98 2.12 -1.26 -0.23 118.70 126.68 2dku s GLU 47 Ca -0.04 1.52 0.01 0.00 0.36 0.00 0.00 54.97 56.81 2dku s GLU 47 Cb -0.10 -3.46 0.11 0.00 0.26 0.00 0.00 34.13 30.94 2dku s GLU 47 CO 0.01 -0.18 0.93 -0.51 -0.54 0.00 0.00 175.26 174.98 2dku s LEU 48 N 1.30 3.04 -0.06 2.70 1.43 -0.49 -4.94 118.68 121.67 2dku s LEU 48 Ca 0.53 -0.36 -0.24 0.00 -1.03 0.00 0.00 54.13 53.03 2dku s LEU 48 Cb -0.23 -2.09 0.05 0.00 0.03 0.00 0.00 46.19 43.96 2dku s LEU 48 CO 0.26 -1.68 0.54 0.00 0.23 0.00 0.00 176.35 175.71 2dku s ARG 49 N -5.02 0.89 -0.43 1.70 1.70 -1.26 -4.75 118.95 111.78 2dku s ARG 49 Ca 0.64 0.17 -0.27 0.00 -0.47 0.00 0.00 55.73 55.80 2dku s ARG 49 Cb -0.06 0.41 -0.06 0.00 -0.57 0.00 0.00 34.95 34.67 2dku s ARG 49 CO 0.43 -0.25 2.36 0.00 -1.08 0.00 0.00 175.30 176.75 2dku s ALA 50 N -1.07 1.90 0.32 7.88 0.00 -1.24 -4.44 121.76 125.09 2dku s ALA 50 Ca -0.11 0.20 -0.00 0.00 0.00 0.00 0.00 51.96 52.05 2dku s ALA 50 Cb -0.02 -4.28 -0.01 0.00 0.00 0.00 0.00 23.12 18.80 2dku s ALA 50 CO 0.07 -4.06 0.37 0.45 0.00 0.00 0.00 175.76 172.60 2dku s SER 51 N 11.22 0.98 0.47 0.00 0.15 0.86 -4.96 113.70 122.42 2dku s SER 51 Ca 0.98 -1.52 0.29 0.00 0.70 0.00 0.00 55.95 56.40 2dku s SER 51 Cb -0.21 0.59 1.37 0.00 -1.71 0.00 0.00 66.02 66.06 2dku s SER 51 CO 0.28 -1.16 1.76 1.23 1.20 0.00 0.00 173.24 176.55 2dku h GLY 52 N 2.19 0.63 0.00 9.45 0.00 -1.99 -2.78 103.07 110.57 2dku h GLY 52 Ca -0.28 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 46.96 2dku h GLY 52 CO 0.40 -0.10 -0.03 1.70 0.00 0.00 0.00 176.54 178.51 2dku h LYS 53 N 0.16 0.00 -4.26 4.80 1.63 -1.90 -3.44 116.57 113.57 2dku h LYS 53 Ca 0.62 0.00 -0.74 0.00 -0.85 0.00 0.00 60.65 59.68 2dku h LYS 53 Cb 2.06 0.00 -0.23 0.00 -0.60 0.00 0.00 32.23 33.46 2dku h LYS 53 CO -0.17 0.00 -0.13 -1.01 -3.45 0.00 0.00 179.45 174.69 2dku s HIS 54 N -1.23 3.18 -0.61 1.91 3.76 -1.05 -3.46 115.29 117.79 2dku s HIS 54 Ca -0.01 -1.19 0.01 0.00 -0.15 0.00 0.00 55.06 53.72 2dku s HIS 54 Cb 0.00 -3.84 0.15 0.00 1.11 0.00 0.00 32.58 30.00 2dku s HIS 54 CO 0.01 -1.09 0.39 -1.14 -0.85 0.00 0.00 174.74 172.07 2dku s GLN 55 N 1.89 2.37 1.16 1.40 2.00 -1.00 -0.10 119.66 127.39 2dku s GLN 55 Ca 0.05 -2.68 -0.18 0.00 -2.00 0.00 0.00 55.36 50.56 2dku s GLN 55 Cb -0.28 -3.56 0.27 0.00 0.80 0.00 0.00 33.01 30.23 2dku s GLN 55 CO 0.04 -1.16 1.11 -1.25 -0.50 0.00 0.00 175.29 173.52 2dku s PRO 56 N -0.34 -0.89 0.18 1.67 0.04 -1.26 -3.32 135.00 131.08 2dku s PRO 56 Ca 0.18 0.06 -0.23 0.00 0.04 0.00 0.00 61.00 61.05 2dku s PRO 56 Cb -0.21 -1.62 0.07 0.00 0.04 0.00 0.00 34.50 32.78 2dku s PRO 56 CO -0.03 -3.52 0.99 0.45 0.04 0.00 0.00 177.00 174.94 2dku s SER 57 N -3.79 -0.07 -0.12 6.66 0.15 -0.62 -4.94 113.70 110.98 2dku s SER 57 Ca 0.70 -0.60 -0.08 0.00 0.70 0.00 0.00 55.95 56.67 2dku s SER 57 Cb -0.12 0.52 0.04 0.00 -1.71 0.00 0.00 66.02 64.75 2dku s SER 57 CO 0.56 -1.00 0.29 -1.58 1.20 0.00 0.00 173.24 172.72 2dku s GLN 58 N -2.63 0.29 -0.24 5.44 0.74 -1.26 -3.12 119.66 118.89 2dku s GLN 58 Ca 0.17 0.54 -0.13 0.00 0.05 0.00 0.00 55.36 55.99 2dku s GLN 58 Cb -0.02 -0.00 0.08 0.00 1.10 0.00 0.00 33.01 34.16 2dku s GLN 58 CO 0.04 -0.12 0.58 -1.21 -0.55 0.00 0.00 175.29 174.03 2dku s GLU 59 N 0.90 0.57 -0.86 1.67 0.41 0.15 -4.94 118.70 116.60 2dku s GLU 59 Ca -0.06 1.08 -0.15 0.00 -0.41 0.00 0.00 54.97 55.43 2dku s GLU 59 Cb -0.07 0.13 0.02 0.00 -1.78 0.00 0.00 34.13 32.43 2dku s GLU 59 CO -0.06 -0.16 0.54 0.41 -0.49 0.00 0.00 175.26 175.49 2dku n GLY 60 N 4.41 -0.91 2.39 -1.39 0.00 -1.26 0.21 105.19 108.64 2dku n GLY 60 Ca -0.20 0.40 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.36 -1.12 -3.99 0.99 4.77 -1.26 -4.93 117.00 108.09 2dku n LEU 61 Ca -0.19 0.21 -0.30 0.00 -0.03 0.00 0.00 56.01 55.70 2dku n LEU 61 Cb 0.53 -2.12 -0.16 0.00 -2.33 0.00 0.00 43.42 39.34 2dku n LEU 61 CO 0.58 -0.19 -0.47 -0.89 -1.33 0.00 0.00 177.39 175.10 2dku s THR 62 N -2.55 1.50 0.02 -5.08 2.01 0.56 -1.92 115.64 110.18 2dku s THR 62 Ca 0.00 -0.68 0.04 0.00 0.31 0.00 0.00 61.69 61.36 2dku s THR 62 Cb 0.00 -1.47 -0.03 0.00 0.01 0.00 0.00 72.50 71.00 2dku s THR 62 CO 0.00 0.36 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.44 2dku s LEU 63 N 1.50 3.05 -0.09 4.42 1.43 -0.84 0.31 118.68 128.47 2dku s LEU 63 Ca 0.03 -0.23 -0.15 0.00 -1.03 0.00 0.00 54.13 52.76 2dku s LEU 63 Cb -0.14 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.35 2dku s LEU 63 CO -0.10 0.26 0.38 0.00 0.23 0.00 0.00 176.35 177.13 2dku s ARG 64 N -1.52 0.58 -0.33 1.70 1.70 -1.18 0.21 118.95 120.11 2dku s ARG 64 Ca 0.17 0.25 0.03 0.00 -0.47 0.00 0.00 55.73 55.71 2dku s ARG 64 Cb -0.11 0.27 0.10 0.00 -0.57 0.00 0.00 34.95 34.64 2dku s ARG 64 CO 0.08 -0.12 0.04 -1.17 -1.08 0.00 0.00 175.30 173.05 2dku s LEU 65 N -0.47 4.23 0.04 -1.89 2.96 -0.88 -1.58 118.68 121.07 2dku s LEU 65 Ca -0.06 -2.00 -0.30 0.00 -0.22 0.00 0.00 54.13 51.55 2dku s LEU 65 Cb -0.04 -1.49 -0.05 0.00 0.50 0.00 0.00 46.19 45.11 2dku s LEU 65 CO 0.03 -0.37 1.18 -0.89 -1.32 0.00 0.00 176.35 174.98 2dku s THR 66 N 1.04 4.14 -0.36 3.68 2.01 -1.21 -2.02 115.64 122.93 2dku s THR 66 Ca 0.09 1.53 0.01 0.00 0.31 0.00 0.00 61.69 63.64 2dku s THR 66 Cb -0.19 -3.98 0.11 0.00 0.01 0.00 0.00 72.50 68.45 2dku s THR 66 CO -0.10 0.10 0.12 -0.63 -0.69 0.00 0.00 174.62 173.42 2dku s ILE 67 N 1.21 1.48 0.61 1.82 1.01 0.12 -2.37 121.20 125.08 2dku s ILE 67 Ca 0.58 -2.01 -0.02 0.00 0.00 0.00 0.00 60.65 59.20 2dku s ILE 67 Cb -0.28 -2.09 0.04 0.00 0.01 0.00 0.00 42.46 40.15 2dku s ILE 67 CO 0.28 -0.70 0.87 -0.44 0.00 0.00 0.00 174.94 174.95 2dku s SER 68 N 1.06 5.14 -1.24 3.58 0.01 -1.22 -1.74 113.70 119.28 2dku s SER 68 Ca 0.12 0.23 -0.03 0.00 1.31 0.00 0.00 55.95 57.58 2dku s SER 68 Cb -0.20 -1.05 0.00 0.00 0.21 0.00 0.00 66.02 64.99 2dku s SER 68 CO -0.14 -1.30 1.06 0.00 0.41 0.00 0.00 173.24 173.27 2dku n ALA 69 N -2.57 -1.77 -0.51 1.44 0.00 -1.20 -4.90 120.51 110.99 2dku n ALA 69 Ca 0.07 0.10 -0.30 0.00 0.00 0.00 0.00 53.44 53.31 2dku n ALA 69 Cb 0.60 -3.45 0.28 0.00 0.00 0.00 0.00 19.45 16.88 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 -6.65 -0.65 0.00 0.00 1.43 -1.26 -4.78 118.68 106.78 2dku s LEU 70 Ca 0.20 0.86 -0.17 0.00 -1.03 0.00 0.00 54.13 53.99 2dku s LEU 70 Cb -0.09 -2.38 0.06 0.00 0.03 0.00 0.00 46.19 43.82 2dku s LEU 70 CO 0.72 -5.07 0.82 -1.84 0.23 0.00 0.00 176.35 171.21 2dku n GLU 71 N -5.44 0.50 -0.23 1.70 0.28 -1.26 -2.22 120.64 113.97 2dku n GLU 71 Ca 0.12 -1.15 0.02 0.00 -0.16 0.00 0.00 57.16 55.99 2dku n GLU 71 Cb 0.59 1.57 0.11 0.00 1.43 0.00 0.00 31.44 35.14 2dku n GLU 71 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2dku n LYS 72 N -0.58 2.02 0.00 3.44 5.02 -1.26 -3.30 118.16 123.50 2dku n LYS 72 Ca -0.02 -0.82 0.00 0.00 -2.02 0.00 0.00 58.31 55.46 2dku n LYS 72 Cb 0.46 -1.70 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 2dku n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dku n ALA 73 N 0.16 1.71 0.19 7.82 0.00 -1.26 -4.67 120.51 124.47 2dku n ALA 73 Ca 0.07 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.58 2dku n ALA 73 Cb 0.50 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.27 2dku n ALA 73 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2dku h ASP 74 N 0.00 0.00 -0.90 0.00 3.58 -1.95 -3.43 116.42 113.72 2dku h ASP 74 Ca 0.00 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 56.93 2dku h ASP 74 Cb 0.00 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 2dku h ASP 74 CO 0.00 0.35 1.64 -1.20 -2.88 0.00 0.00 179.24 177.14 2dku n SER 75 N -3.43 1.52 -2.47 2.28 7.64 -1.26 -4.81 113.62 113.09 2dku n SER 75 Ca 0.00 -0.06 -0.06 0.00 1.01 0.00 0.00 58.87 59.76 2dku n SER 75 Cb 0.52 -1.27 0.02 0.00 -1.01 0.00 0.00 64.21 62.47 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 12.66 -1.63 -4.57 6.43 -0.08 -1.26 -5.00 116.55 123.10 2dku n ASP 76 Ca 0.49 -2.07 -0.41 0.00 -1.51 0.00 0.00 54.79 51.29 2dku n ASP 76 Cb 0.29 2.71 -0.07 0.00 2.34 0.00 0.00 41.12 46.38 2dku n ASP 76 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2dku s THR 77 N -2.28 4.93 0.23 5.18 2.01 -1.26 -3.19 115.64 121.26 2dku s THR 77 Ca 0.14 0.57 -0.07 0.00 0.31 0.00 0.00 61.69 62.64 2dku s THR 77 Cb -0.03 -4.03 -0.06 0.00 0.01 0.00 0.00 72.50 68.38 2dku s THR 77 CO 0.08 -0.25 0.51 -0.31 -0.69 0.00 0.00 174.62 173.95 2dku s TYR 78 N 2.61 3.45 -0.14 4.92 1.51 -1.02 -3.06 117.35 125.62 2dku s TYR 78 Ca 0.23 0.73 -0.04 0.00 -1.01 0.00 0.00 57.07 56.97 2dku s TYR 78 Cb -0.15 -2.15 0.06 0.00 -0.11 0.00 0.00 41.96 39.61 2dku s TYR 78 CO 0.14 0.28 0.10 0.99 -1.11 0.00 0.00 175.55 175.95 2dku s THR 79 N -1.85 -0.13 -0.41 -0.71 2.01 0.31 -2.75 115.64 112.10 2dku s THR 79 Ca 0.45 0.01 -0.18 0.00 0.31 0.00 0.00 61.69 62.28 2dku s THR 79 Cb -0.11 -0.47 0.02 0.00 0.01 0.00 0.00 72.50 71.94 2dku s THR 79 CO 0.25 -0.15 0.46 0.00 -0.69 0.00 0.00 174.62 174.49 2dku s ASP 81 N 1.82 5.77 0.00 0.00 2.15 -0.86 -1.01 116.67 124.55 2dku s ASP 81 Ca 0.13 0.13 0.00 0.00 0.43 0.00 0.00 52.55 53.24 2dku s ASP 81 Cb -0.17 -1.65 0.00 0.00 -0.30 0.00 0.00 42.92 40.80 2dku s ASP 81 CO 0.14 0.23 0.00 2.30 -0.17 0.00 0.00 175.17 177.67 2dku n ILE 82 N 0.83 0.00 0.00 4.11 -5.35 -0.98 -0.12 119.36 117.84 2dku n ILE 82 Ca -0.10 -0.18 0.00 0.00 -0.27 0.00 0.00 62.75 62.20 2dku n ILE 82 Cb 0.52 0.67 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 1.54 1.00 0.02 3.28 0.00 -1.26 -4.52 105.19 105.25 2dku n GLY 83 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 0.92 -4.25 1.61 1.13 -1.26 -5.07 117.38 110.46 2dku n GLN 84 Ca 0.00 0.02 -0.14 0.00 -1.94 0.00 0.00 57.00 54.94 2dku n GLN 84 Cb 0.00 -1.10 -0.10 0.00 0.11 0.00 0.00 30.24 29.15 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 1.40 -0.04 -1.58 0.00 -1.26 -4.89 121.76 113.29 2dku s ALA 85 Ca -0.05 -1.68 -0.03 0.00 0.00 0.00 0.00 51.96 50.19 2dku s ALA 85 Cb 0.02 0.83 0.02 0.00 0.00 0.00 0.00 23.12 23.98 2dku s ALA 85 CO 0.12 -0.41 0.10 -0.65 0.00 0.00 0.00 175.76 174.93 2dku s GLN 86 N -3.99 0.10 0.63 0.00 1.11 -1.26 -2.33 119.66 113.91 2dku s GLN 86 Ca 0.30 0.19 0.05 0.00 0.01 0.00 0.00 55.36 55.91 2dku s GLN 86 Cb 0.07 -0.01 0.10 0.00 -1.01 0.00 0.00 33.01 32.15 2dku s GLN 86 CO 0.08 -0.06 0.86 0.45 0.01 0.00 0.00 175.29 176.64 2dku s SER 87 N 0.35 4.82 -0.23 5.90 0.15 -0.18 -4.89 113.70 119.61 2dku s SER 87 Ca -0.02 -0.59 -0.19 0.00 0.70 0.00 0.00 55.95 55.85 2dku s SER 87 Cb -0.04 0.07 0.06 0.00 -1.71 0.00 0.00 66.02 64.41 2dku s SER 87 CO -0.01 -1.53 0.59 -0.13 1.20 0.00 0.00 173.24 173.37 2dku s ARG 88 N -4.85 0.67 -0.21 5.44 0.52 -1.26 -2.96 118.95 116.29 2dku s ARG 88 Ca 0.63 0.90 -0.17 0.00 -0.52 0.00 0.00 55.73 56.57 2dku s ARG 88 Cb -0.06 0.26 0.06 0.00 0.52 0.00 0.00 34.95 35.73 2dku s ARG 88 CO 0.41 -0.10 0.54 0.00 0.02 0.00 0.00 175.30 176.16 2dku s ALA 89 N 0.67 -1.35 -0.06 2.13 0.00 -1.11 -4.53 121.76 117.51 2dku s ALA 89 Ca -0.03 1.62 -0.17 0.00 0.00 0.00 0.00 51.96 53.38 2dku s ALA 89 Cb -0.05 -0.95 -0.05 0.00 0.00 0.00 0.00 23.12 22.07 2dku s ALA 89 CO -0.04 -0.27 0.47 -0.65 0.00 0.00 0.00 175.76 175.27 2dku s GLN 90 N 0.59 4.20 0.11 0.00 -0.21 -1.26 -2.44 119.66 120.65 2dku s GLN 90 Ca -0.02 0.48 0.04 0.00 0.02 0.00 0.00 55.36 55.88 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 -0.03 0.38 0.10 -1.17 -2.12 0.00 0.00 175.29 172.44 2dku s LEU 91 N -0.11 3.81 -0.22 2.90 2.96 -1.19 -2.78 118.68 124.05 2dku s LEU 91 Ca 0.26 -0.04 -0.03 0.00 -0.22 0.00 0.00 54.13 54.09 2dku s LEU 91 Cb -0.16 -2.47 0.07 0.00 0.50 0.00 0.00 46.19 44.13 2dku s LEU 91 CO 0.12 0.14 0.06 -0.22 -1.32 0.00 0.00 176.35 175.13 2dku s LEU 92 N -2.61 1.15 -0.91 -0.68 2.96 -0.29 -4.27 118.68 114.02 2dku s LEU 92 Ca 0.30 -0.94 -0.16 0.00 -0.22 0.00 0.00 54.13 53.11 2dku s LEU 92 Cb -0.12 -0.56 0.18 0.00 0.50 0.00 0.00 46.19 46.20 2dku s LEU 92 CO 0.22 -0.34 0.98 -0.69 -1.32 0.00 0.00 176.35 175.21 2dku s VAL 93 N 1.89 5.23 0.98 1.68 1.01 -1.26 -1.65 120.40 128.28 2dku s VAL 93 Ca 0.02 -2.17 -0.13 0.00 0.00 0.00 0.00 61.98 59.70 2dku s VAL 93 Cb -0.17 -4.64 0.10 0.00 0.00 0.00 0.00 36.38 31.68 2dku s VAL 93 CO -0.13 -1.28 0.62 0.00 0.00 0.00 0.00 175.10 174.32 2dku n GLN 94 N 5.07 -0.71 -3.07 2.72 1.13 -1.10 -4.47 117.38 116.95 2dku n GLN 94 Ca 0.20 -0.16 -0.41 0.00 -1.94 0.00 0.00 57.00 54.69 2dku n GLN 94 Cb 0.47 -2.02 -0.06 0.00 0.11 0.00 0.00 30.24 28.75 2dku n GLN 94 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2dku s GLY 95 N -2.21 1.77 0.05 1.08 0.00 -1.26 -0.45 107.32 106.30 2dku s GLY 95 Ca 0.61 -0.52 -0.31 0.00 0.00 0.00 0.00 44.72 44.51 2dku s GLY 95 CO 0.64 1.52 1.32 -1.60 0.00 0.00 0.00 173.10 174.99 2dku s ARG 96 N 2.65 4.34 -1.34 2.90 3.52 -1.26 -3.14 118.95 126.62 2dku s ARG 96 Ca 0.27 1.91 -0.06 0.00 -0.13 0.00 0.00 55.73 57.73 2dku s ARG 96 Cb -0.15 -3.41 0.02 0.00 -1.56 0.00 0.00 34.95 29.85 2dku s ARG 96 CO 0.11 -0.43 0.99 -2.13 -0.81 0.00 0.00 175.30 173.03 2dku n ARG 97 N 4.50 -6.47 -0.88 5.12 0.63 -1.26 -4.87 116.66 113.43 2dku n ARG 97 Ca 0.11 0.74 -0.18 0.00 -0.92 0.00 0.00 57.85 57.60 2dku n ARG 97 Cb 0.44 -5.65 0.07 0.00 0.45 0.00 0.00 32.46 27.77 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 -3.02 5.34 0.00 6.15 2.88 -1.19 -4.99 113.62 118.80 2dku n SER 98 Ca -0.13 -3.11 0.00 0.00 -1.33 0.00 0.00 58.87 54.30 2dku n SER 98 Cb 0.61 -0.90 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 2dku n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dku n GLY 99 N -0.17 -2.01 0.00 0.46 0.00 -1.26 -4.50 105.19 97.71 2dku n GLY 99 Ca 0.37 -1.49 0.08 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.41 0.37 -0.38 1.61 -0.04 -1.26 -3.94 135.00 129.94 2dku n PRO 100 Ca 0.00 0.06 -0.10 0.00 -0.04 0.00 0.00 63.50 63.42 2dku n PRO 100 Cb 0.00 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.88 2dku n PRO 100 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2dku h SER 101 N 0.00 -2.03 -4.18 3.54 0.87 -2.02 -3.40 113.55 106.34 2dku h SER 101 Ca 0.00 0.32 -0.61 0.00 -1.23 0.00 0.00 61.79 60.26 2dku h SER 101 Cb 0.06 0.91 -0.24 0.00 -0.44 0.00 0.00 62.40 62.68 2dku h SER 101 CO 0.00 -0.26 -0.85 -0.55 -0.53 0.00 0.00 176.83 174.64 2dku s SER 102 N -5.43 2.78 0.00 6.23 0.15 -1.25 -5.25 113.70 110.93 2dku s SER 102 Ca -0.13 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 55.89 2dku s SER 102 Cb 0.12 -0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 2dku s SER 102 CO 0.63 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.83