#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 -1.17 0.33 1.61 0.01 -1.26 -5.17 113.70 108.06 2dku s SER 2 Ca 0.00 0.61 0.07 0.00 1.31 0.00 0.00 55.95 57.94 2dku s SER 2 Cb 0.00 1.93 -0.07 0.00 0.21 0.00 0.00 66.02 68.10 2dku s SER 2 CO 0.00 -0.22 -0.02 -0.94 0.41 0.00 0.00 173.24 172.47 2dku s SER 3 N 2.88 3.14 0.00 2.44 1.04 -1.26 -5.10 113.70 116.84 2dku s SER 3 Ca 0.15 -1.27 0.00 0.00 0.48 0.00 0.00 55.95 55.30 2dku s SER 3 Cb -0.13 -0.24 0.00 0.00 0.10 0.00 0.00 66.02 65.75 2dku s SER 3 CO -0.19 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.24 2dku n GLY 4 N -0.74 -0.03 3.92 7.32 0.00 -1.26 -5.11 105.19 109.28 2dku n GLY 4 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.92 6.42 -0.28 1.61 0.15 -1.26 -5.10 113.70 113.31 2dku s SER 5 Ca 0.00 0.43 -0.21 0.00 0.70 0.00 0.00 55.95 56.88 2dku s SER 5 Cb 0.00 -2.03 0.11 0.00 -1.71 0.00 0.00 66.02 62.39 2dku s SER 5 CO 0.00 0.03 0.87 -0.55 1.20 0.00 0.00 173.24 174.80 2dku s SER 6 N -2.78 -0.65 0.00 5.45 0.15 -1.26 -5.12 113.70 109.49 2dku s SER 6 Ca 0.39 1.13 0.00 0.00 0.70 0.00 0.00 55.95 58.17 2dku s SER 6 Cb -0.12 1.21 0.00 0.00 -1.71 0.00 0.00 66.02 65.40 2dku s SER 6 CO 0.27 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.14 2dku n GLY 7 N 3.20 0.35 4.00 9.45 0.00 -1.26 -5.13 105.19 115.80 2dku n GLY 7 Ca -0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 2dku n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dku s ALA 8 N -2.00 3.83 0.26 4.61 0.00 -1.26 -5.13 121.76 122.07 2dku s ALA 8 Ca 0.00 -1.86 0.08 0.00 0.00 0.00 0.00 51.96 50.19 2dku s ALA 8 Cb 0.00 -1.91 -0.05 0.00 0.00 0.00 0.00 23.12 21.16 2dku s ALA 8 CO 0.00 -1.48 -0.12 1.21 0.00 0.00 0.00 175.76 175.37 2dku s ASN 9 N -4.77 2.99 0.08 0.00 2.47 -1.26 -5.00 114.94 109.45 2dku s ASN 9 Ca 0.67 -1.10 -0.11 0.00 0.42 0.00 0.00 52.86 52.74 2dku s ASN 9 Cb -0.05 -0.21 0.01 0.00 -1.45 0.00 0.00 41.25 39.56 2dku s ASN 9 CO 0.44 -0.19 0.26 0.00 -3.72 0.00 0.00 177.10 173.89 2dku s PHE 11 N -3.45 3.14 0.30 0.00 0.40 -1.26 -0.60 117.98 116.52 2dku s PHE 11 Ca 0.01 0.12 0.09 0.00 -0.60 0.00 0.00 56.93 56.55 2dku s PHE 11 Cb 0.02 -3.09 0.48 0.00 0.51 0.00 0.00 43.02 40.95 2dku s PHE 11 CO -0.09 -0.66 1.70 1.79 0.70 0.00 0.00 175.22 178.65 2dku h THR 12 N 5.71 1.35 -3.02 0.64 1.35 -1.82 -3.40 112.91 113.72 2dku h THR 12 Ca -0.27 -1.67 -0.57 0.00 -0.55 0.00 0.00 66.41 63.35 2dku h THR 12 Cb 1.11 1.85 -0.40 0.00 -1.73 0.00 0.00 68.15 68.99 2dku h THR 12 CO 0.82 0.49 -0.77 -1.61 -0.25 0.00 0.00 175.52 174.20 2dku s GLU 13 N -3.96 0.58 0.71 4.72 2.02 -1.25 -5.01 118.70 116.51 2dku s GLU 13 Ca -0.03 -0.97 -0.15 0.00 0.02 0.00 0.00 54.97 53.84 2dku s GLU 13 Cb 0.13 -1.74 0.03 0.00 0.10 0.00 0.00 34.13 32.65 2dku s GLU 13 CO 0.76 -1.01 1.18 -1.21 0.02 0.00 0.00 175.26 174.99 2dku s GLU 14 N 1.68 2.32 1.34 1.61 2.02 -1.26 -2.19 118.70 124.21 2dku s GLU 14 Ca 0.10 1.65 -0.21 0.00 0.02 0.00 0.00 54.97 56.53 2dku s GLU 14 Cb -0.17 -1.87 0.32 0.00 0.10 0.00 0.00 34.13 32.51 2dku s GLU 14 CO -0.27 -1.67 0.74 1.28 0.02 0.00 0.00 175.26 175.36 2dku n LEU 15 N -2.64 -0.59 -3.77 1.80 4.77 -1.26 -4.90 117.00 110.41 2dku n LEU 15 Ca 0.12 -0.73 -0.13 0.00 -0.03 0.00 0.00 56.01 55.25 2dku n LEU 15 Cb 0.51 -0.94 -0.13 0.00 -2.33 0.00 0.00 43.42 40.53 2dku n LEU 15 CO 0.48 -4.22 -0.15 0.28 -1.33 0.00 0.00 177.39 172.45 2dku s THR 16 N -2.10 -0.02 -0.18 -5.08 -1.32 -1.26 -4.94 115.64 100.73 2dku s THR 16 Ca 0.58 0.08 -0.39 0.00 -1.21 0.00 0.00 61.69 60.75 2dku s THR 16 Cb -0.11 -0.31 -0.16 0.00 -1.51 0.00 0.00 72.50 70.41 2dku s THR 16 CO 0.49 0.03 1.66 0.59 -2.21 0.00 0.00 174.62 175.18 2dku n ASN 17 N 3.63 2.29 -4.68 8.08 3.02 -1.26 -4.79 115.26 121.55 2dku n ASN 17 Ca -0.20 1.08 -0.35 0.00 -0.03 0.00 0.00 54.58 55.08 2dku n ASN 17 Cb 0.55 -1.17 -0.09 0.00 -0.61 0.00 0.00 39.78 38.46 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 2.88 3.58 -0.22 3.41 1.43 -0.97 -5.00 118.68 123.80 2dku s LEU 18 Ca 0.95 0.14 0.02 0.00 -1.03 0.00 0.00 54.13 54.21 2dku s LEU 18 Cb -1.02 -1.82 0.05 0.00 0.03 0.00 0.00 46.19 43.43 2dku s LEU 18 CO 0.61 0.38 -0.13 -1.58 0.23 0.00 0.00 176.35 175.86 2dku s GLN 19 N -0.88 2.34 0.15 1.70 0.74 -1.26 -1.49 119.66 120.96 2dku s GLN 19 Ca 0.13 -1.06 -0.02 0.00 0.05 0.00 0.00 55.36 54.46 2dku s GLN 19 Cb -0.11 -2.66 -0.04 0.00 1.10 0.00 0.00 33.01 31.30 2dku s GLN 19 CO 0.02 -0.44 0.11 0.08 -0.55 0.00 0.00 175.29 174.51 2dku s VAL 20 N 1.24 0.07 0.12 1.34 1.01 -0.37 -4.99 120.40 118.83 2dku s VAL 20 Ca -0.03 -1.86 -0.07 0.00 0.00 0.00 0.00 61.98 60.02 2dku s VAL 20 Cb -0.17 -2.13 -0.06 0.00 0.00 0.00 0.00 36.38 34.02 2dku s VAL 20 CO -0.08 -0.33 0.40 -1.61 0.00 0.00 0.00 175.10 173.48 2dku s GLU 21 N -4.06 3.69 0.73 2.72 2.02 -1.26 0.37 118.70 122.90 2dku s GLU 21 Ca 0.27 0.05 -0.16 0.00 0.02 0.00 0.00 54.97 55.14 2dku s GLU 21 Cb 0.07 -2.89 -0.07 0.00 0.10 0.00 0.00 34.13 31.34 2dku s GLU 21 CO 0.04 0.49 0.26 -0.85 0.02 0.00 0.00 175.26 175.23 2dku n GLU 22 N 0.42 0.19 -2.19 1.61 0.28 -0.81 -2.02 120.64 118.12 2dku n GLU 22 Ca -0.05 0.09 -0.20 0.00 -0.16 0.00 0.00 57.16 56.85 2dku n GLU 22 Cb 0.52 -1.60 -0.03 0.00 1.43 0.00 0.00 31.44 31.76 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 -0.04 -1.54 0.00 3.44 4.76 -0.15 -4.74 118.16 119.89 2dku n LYS 23 Ca 0.08 1.02 0.00 0.00 -2.87 0.00 0.00 58.31 56.54 2dku n LYS 23 Cb 0.50 -5.57 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 -0.90 3.10 3.03 0.72 0.00 -0.85 -4.70 105.19 105.58 2dku n GLY 24 Ca -0.23 -1.25 -0.13 0.00 0.00 0.00 0.00 46.02 44.41 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 4.35 -0.30 -0.20 2.61 2.01 -1.26 -2.38 115.64 120.47 2dku s THR 25 Ca 0.00 0.24 -0.01 0.00 0.31 0.00 0.00 61.69 62.23 2dku s THR 25 Cb 0.00 -0.43 0.05 0.00 0.01 0.00 0.00 72.50 72.14 2dku s THR 25 CO 0.00 0.10 -0.02 0.00 -0.69 0.00 0.00 174.62 174.01 2dku s ALA 26 N 2.07 1.43 -0.29 7.40 0.00 -0.33 -4.97 121.76 127.06 2dku s ALA 26 Ca -0.02 -0.93 -0.04 0.00 0.00 0.00 0.00 51.96 50.97 2dku s ALA 26 Cb -0.11 -1.24 0.03 0.00 0.00 0.00 0.00 23.12 21.80 2dku s ALA 26 CO -0.09 -1.06 0.03 0.54 0.00 0.00 0.00 175.76 175.19 2dku s VAL 27 N 1.65 3.47 -0.51 0.00 0.11 -1.26 -0.48 120.40 123.38 2dku s VAL 27 Ca -0.02 -0.99 -0.28 0.00 -2.93 0.00 0.00 61.98 57.76 2dku s VAL 27 Cb -0.17 -2.85 0.02 0.00 -1.53 0.00 0.00 36.38 31.84 2dku s VAL 27 CO -0.07 0.03 1.35 -0.36 -3.33 0.00 0.00 175.10 172.71 2dku s PHE 28 N 1.39 2.42 -0.06 1.54 0.08 -0.37 -4.80 117.98 118.18 2dku s PHE 28 Ca -0.00 0.55 -0.12 0.00 0.12 0.00 0.00 56.93 57.47 2dku s PHE 28 Cb -0.18 -4.40 -0.05 0.00 -0.57 0.00 0.00 43.02 37.83 2dku s PHE 28 CO 0.00 -1.84 0.31 0.95 -0.10 0.00 0.00 175.22 174.54 2dku s THR 29 N 5.55 5.22 0.34 0.64 -4.23 -1.26 -1.49 115.64 120.41 2dku s THR 29 Ca 0.53 0.61 -0.02 0.00 -1.18 0.00 0.00 61.69 61.63 2dku s THR 29 Cb -0.11 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 70.13 2dku s THR 29 CO 0.28 0.56 0.47 0.00 -0.54 0.00 0.00 174.62 175.39 2dku s LYS 31 N -3.09 0.80 0.04 0.00 2.20 -0.93 -2.12 119.74 116.63 2dku s LYS 31 Ca 0.31 -1.27 -0.06 0.00 -0.36 0.00 0.00 55.97 54.59 2dku s LYS 31 Cb -0.00 0.25 -0.01 0.00 -1.51 0.00 0.00 37.83 36.56 2dku s LYS 31 CO 0.20 -0.21 0.12 0.95 -0.36 0.00 0.00 175.35 176.05 2dku s THR 32 N -3.96 0.13 0.16 3.43 -4.23 -1.02 -3.34 115.64 106.80 2dku s THR 32 Ca 0.14 -1.05 0.10 0.00 -1.18 0.00 0.00 61.69 59.70 2dku s THR 32 Cb 0.07 -0.90 -0.07 0.00 1.34 0.00 0.00 72.50 72.93 2dku s THR 32 CO -0.05 -0.58 1.48 -0.08 -0.54 0.00 0.00 174.62 174.85 2dku h GLU 33 N 3.60 0.00 -5.87 3.99 4.57 -1.18 -3.43 114.58 116.27 2dku h GLU 33 Ca -0.32 0.00 -0.51 0.00 -1.18 0.00 0.00 59.36 57.35 2dku h GLU 33 Cb 1.19 0.00 -0.22 0.00 -0.16 0.00 0.00 28.75 29.56 2dku h GLU 33 CO 0.50 0.73 -0.81 -1.01 -1.18 0.00 0.00 179.01 177.24 2dku s HIS 34 N -3.19 1.59 -1.18 0.92 3.76 -1.26 -5.02 115.29 110.90 2dku s HIS 34 Ca 0.00 -0.42 -0.23 0.00 -0.15 0.00 0.00 55.06 54.26 2dku s HIS 34 Cb 0.11 -0.88 -0.09 0.00 1.11 0.00 0.00 32.58 32.83 2dku s HIS 34 CO 0.78 0.14 1.93 -1.25 -0.85 0.00 0.00 174.74 175.49 2dku s PRO 35 N -1.77 2.50 0.07 8.40 0.04 -1.26 -4.92 135.00 138.06 2dku s PRO 35 Ca 0.04 -1.15 -0.37 0.00 0.04 0.00 0.00 61.00 59.56 2dku s PRO 35 Cb -0.10 -5.24 -0.18 0.00 0.04 0.00 0.00 34.50 29.02 2dku s PRO 35 CO 0.03 -3.97 1.10 0.00 0.04 0.00 0.00 177.00 174.20 2dku n ALA 36 N 14.38 -2.36 0.11 8.56 0.00 -1.26 -4.85 120.51 135.08 2dku n ALA 36 Ca 0.45 0.54 -0.03 0.00 0.00 0.00 0.00 53.44 54.39 2dku n ALA 36 Cb 0.47 -1.88 0.06 0.00 0.00 0.00 0.00 19.45 18.10 2dku n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dku h ALA 37 N 3.28 0.74 -3.14 0.00 0.00 -1.91 -3.45 119.26 114.78 2dku h ALA 37 Ca -0.46 -0.69 -0.18 0.00 0.00 0.00 0.00 54.91 53.57 2dku h ALA 37 Cb 1.39 -0.12 -0.23 0.00 0.00 0.00 0.00 17.79 18.83 2dku h ALA 37 CO 0.68 0.95 -0.69 -0.08 0.00 0.00 0.00 179.25 180.11 2dku s THR 38 N -3.27 0.08 -0.05 0.00 -1.32 -1.26 -5.15 115.64 104.67 2dku s THR 38 Ca -0.00 -0.70 -0.02 0.00 -1.21 0.00 0.00 61.69 59.77 2dku s THR 38 Cb 0.12 -0.21 0.03 0.00 -1.51 0.00 0.00 72.50 70.92 2dku s THR 38 CO 0.78 -0.38 0.04 -0.69 -2.21 0.00 0.00 174.62 172.16 2dku s VAL 39 N -1.13 0.05 -0.34 5.08 1.01 -1.26 -4.37 120.40 119.44 2dku s VAL 39 Ca -0.12 0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.19 2dku s VAL 39 Cb -0.08 -0.26 0.09 0.00 0.00 0.00 0.00 36.38 36.14 2dku s VAL 39 CO -0.01 0.19 0.05 -0.89 0.00 0.00 0.00 175.10 174.45 2dku s THR 40 N 1.97 2.44 0.41 3.92 2.01 0.22 -4.98 115.64 121.63 2dku s THR 40 Ca 0.03 -2.18 -0.23 0.00 0.31 0.00 0.00 61.69 59.62 2dku s THR 40 Cb -0.12 -2.72 -0.09 0.00 0.01 0.00 0.00 72.50 69.57 2dku s THR 40 CO -0.03 -0.52 1.01 0.26 -0.69 0.00 0.00 174.62 174.64 2dku s TRP 41 N 0.97 3.31 -0.01 4.92 0.52 -1.26 -2.45 118.94 124.95 2dku s TRP 41 Ca 0.07 1.65 0.03 0.00 0.02 0.00 0.00 56.10 57.88 2dku s TRP 41 Cb -0.20 -3.02 -0.01 0.00 -1.15 0.00 0.00 33.47 29.10 2dku s TRP 41 CO -0.07 -0.39 -0.10 0.50 0.02 0.00 0.00 176.95 176.91 2dku s ARG 42 N -2.68 0.85 -0.10 4.98 3.52 0.13 -1.43 118.95 124.21 2dku s ARG 42 Ca 0.59 -0.35 -0.01 0.00 -0.13 0.00 0.00 55.73 55.82 2dku s ARG 42 Cb -0.18 -0.82 0.03 0.00 -1.56 0.00 0.00 34.95 32.43 2dku s ARG 42 CO 0.22 0.20 -0.03 0.21 -0.81 0.00 0.00 175.30 175.09 2dku s LYS 43 N -0.16 1.00 -1.08 5.12 2.20 0.92 0.05 119.74 127.80 2dku s LYS 43 Ca 0.03 -0.10 -0.16 0.00 -0.36 0.00 0.00 55.97 55.38 2dku s LYS 43 Cb -0.05 -1.34 -0.02 0.00 -1.51 0.00 0.00 37.83 34.91 2dku s LYS 43 CO -0.00 -0.32 0.80 0.41 -0.36 0.00 0.00 175.35 175.88 2dku n GLY 44 N 5.05 -1.06 3.42 5.54 0.00 -1.12 -1.54 105.19 115.48 2dku n GLY 44 Ca -0.09 0.49 -0.24 0.00 0.00 0.00 0.00 46.02 46.17 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 -3.76 -1.78 -3.93 0.99 4.77 -1.26 -4.95 117.00 107.08 2dku n LEU 45 Ca -0.09 -0.45 -0.16 0.00 -0.03 0.00 0.00 56.01 55.28 2dku n LEU 45 Cb 0.59 -2.26 -0.15 0.00 -2.33 0.00 0.00 43.42 39.28 2dku n LEU 45 CO 0.64 0.20 -0.40 -0.22 -1.33 0.00 0.00 177.39 176.29 2dku s LEU 46 N -6.62 1.81 -0.24 2.23 2.96 -0.59 -5.12 118.68 113.10 2dku s LEU 46 Ca 0.43 -0.09 -0.27 0.00 -0.22 0.00 0.00 54.13 53.98 2dku s LEU 46 Cb -0.22 -0.28 0.00 0.00 0.50 0.00 0.00 46.19 46.18 2dku s LEU 46 CO 0.53 0.03 0.94 -0.70 -1.32 0.00 0.00 176.35 175.83 2dku s GLU 47 N 0.16 4.22 0.59 1.98 2.12 -1.26 -0.06 118.70 126.45 2dku s GLU 47 Ca -0.02 1.16 -0.11 0.00 0.36 0.00 0.00 54.97 56.37 2dku s GLU 47 Cb -0.05 -3.65 -0.04 0.00 0.26 0.00 0.00 34.13 30.65 2dku s GLU 47 CO -0.00 -0.59 0.99 -0.51 -0.54 0.00 0.00 175.26 174.61 2dku s LEU 48 N 3.05 3.33 -0.07 2.70 1.43 -0.52 -4.95 118.68 123.66 2dku s LEU 48 Ca 0.40 1.36 -0.05 0.00 -1.03 0.00 0.00 54.13 54.81 2dku s LEU 48 Cb -0.15 -4.39 0.02 0.00 0.03 0.00 0.00 46.19 41.70 2dku s LEU 48 CO 0.07 -0.79 0.17 0.00 0.23 0.00 0.00 176.35 176.02 2dku s ARG 49 N -4.99 0.17 -0.62 1.70 1.70 -1.26 -4.70 118.95 110.96 2dku s ARG 49 Ca 0.54 0.28 -0.36 0.00 -0.47 0.00 0.00 55.73 55.73 2dku s ARG 49 Cb -0.11 0.02 -0.17 0.00 -0.57 0.00 0.00 34.95 34.13 2dku s ARG 49 CO 0.50 -0.06 2.36 0.00 -1.08 0.00 0.00 175.30 177.02 2dku n ALA 50 N 3.33 0.52 -3.37 7.88 0.00 -1.24 -4.45 120.51 123.19 2dku n ALA 50 Ca -0.16 -0.15 -0.10 0.00 0.00 0.00 0.00 53.44 53.03 2dku n ALA 50 Cb 0.57 -2.38 -0.03 0.00 0.00 0.00 0.00 19.45 17.61 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 7.98 -0.33 0.40 0.00 0.01 0.78 -4.98 113.70 117.55 2dku s SER 51 Ca 1.20 -0.36 0.34 0.00 1.31 0.00 0.00 55.95 58.44 2dku s SER 51 Cb -1.12 0.59 1.29 0.00 0.21 0.00 0.00 66.02 67.00 2dku s SER 51 CO 0.52 -1.05 1.23 0.61 0.41 0.00 0.00 173.24 174.96 2dku n GLY 52 N -0.35 -0.73 0.01 3.44 0.00 -1.26 -1.11 105.19 105.18 2dku n GLY 52 Ca -0.12 0.57 -0.00 0.00 0.00 0.00 0.00 46.02 46.47 2dku n GLY 52 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2dku h LYS 53 N 0.00 0.00 -4.34 1.61 1.63 -1.90 -3.43 116.57 110.13 2dku h LYS 53 Ca 0.72 0.00 -0.74 0.00 -0.85 0.00 0.00 60.65 59.79 2dku h LYS 53 Cb 2.69 0.00 -0.22 0.00 -0.60 0.00 0.00 32.23 34.09 2dku h LYS 53 CO -0.15 0.00 -0.28 -1.01 -3.45 0.00 0.00 179.45 174.56 2dku s HIS 54 N -1.07 3.22 -0.64 1.91 3.76 -0.26 -3.39 115.29 118.82 2dku s HIS 54 Ca -0.00 -0.93 0.02 0.00 -0.15 0.00 0.00 55.06 54.00 2dku s HIS 54 Cb 0.00 -3.28 0.16 0.00 1.11 0.00 0.00 32.58 30.57 2dku s HIS 54 CO 0.00 -0.85 0.43 -1.14 -0.85 0.00 0.00 174.74 172.33 2dku s GLN 55 N 1.74 2.42 1.12 1.40 2.00 -0.90 -0.16 119.66 127.27 2dku s GLN 55 Ca 0.05 -2.86 -0.16 0.00 -2.00 0.00 0.00 55.36 50.39 2dku s GLN 55 Cb -0.24 -3.53 0.25 0.00 0.80 0.00 0.00 33.01 30.28 2dku s GLN 55 CO 0.07 -1.19 1.10 -1.25 -0.50 0.00 0.00 175.29 173.52 2dku s PRO 56 N -0.65 -0.54 0.25 1.67 0.04 -1.26 -3.11 135.00 131.39 2dku s PRO 56 Ca 0.20 0.18 -0.22 0.00 0.04 0.00 0.00 61.00 61.20 2dku s PRO 56 Cb -0.17 -1.65 0.03 0.00 0.04 0.00 0.00 34.50 32.75 2dku s PRO 56 CO -0.06 -3.31 0.74 0.45 0.04 0.00 0.00 177.00 174.85 2dku s SER 57 N -3.69 -0.29 0.03 6.66 0.15 -0.66 -4.93 113.70 110.97 2dku s SER 57 Ca 0.68 -0.51 0.03 0.00 0.70 0.00 0.00 55.95 56.86 2dku s SER 57 Cb -0.14 0.68 -0.02 0.00 -1.71 0.00 0.00 66.02 64.84 2dku s SER 57 CO 0.57 -1.24 -0.09 -1.58 1.20 0.00 0.00 173.24 172.10 2dku s GLN 58 N -3.81 0.60 0.37 5.44 0.74 -1.26 -3.60 119.66 118.13 2dku s GLN 58 Ca 0.10 -0.59 -0.14 0.00 0.05 0.00 0.00 55.36 54.77 2dku s GLN 58 Cb -0.05 -0.49 0.04 0.00 1.10 0.00 0.00 33.01 33.62 2dku s GLN 58 CO 0.04 0.11 0.73 -1.21 -0.55 0.00 0.00 175.29 174.41 2dku s GLU 59 N -1.05 2.13 -0.97 1.67 8.01 -0.05 -5.00 118.70 123.44 2dku s GLU 59 Ca -0.04 -1.43 -0.13 0.00 0.01 0.00 0.00 54.97 53.38 2dku s GLU 59 Cb -0.07 0.60 -0.31 0.00 -4.31 0.00 0.00 34.13 30.04 2dku s GLU 59 CO 0.00 -0.98 2.24 0.41 0.01 0.00 0.00 175.26 176.94 2dku n GLY 60 N -0.52 -0.46 2.41 -1.39 0.00 -1.26 -0.52 105.19 103.45 2dku n GLY 60 Ca -0.06 0.15 -0.08 0.00 0.00 0.00 0.00 46.02 46.03 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 7.37 -0.78 -3.81 0.99 4.77 -1.26 -4.91 117.00 119.37 2dku n LEU 61 Ca 0.66 0.29 -0.23 0.00 -0.03 0.00 0.00 56.01 56.69 2dku n LEU 61 Cb 0.16 -1.77 -0.17 0.00 -2.33 0.00 0.00 43.42 39.30 2dku n LEU 61 CO 1.03 -0.11 -0.40 -0.89 -1.33 0.00 0.00 177.39 175.69 2dku s THR 62 N -2.38 0.53 0.16 -5.08 2.01 0.32 -2.45 115.64 108.75 2dku s THR 62 Ca 0.00 0.01 0.10 0.00 0.31 0.00 0.00 61.69 62.11 2dku s THR 62 Cb 0.00 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.82 2dku s THR 62 CO 0.00 0.28 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.25 2dku s LEU 63 N 1.78 2.59 -0.06 4.42 1.43 -0.90 -0.87 118.68 127.08 2dku s LEU 63 Ca 0.03 -0.70 -0.28 0.00 -1.03 0.00 0.00 54.13 52.15 2dku s LEU 63 Cb -0.13 -1.38 0.06 0.00 0.03 0.00 0.00 46.19 44.78 2dku s LEU 63 CO -0.05 0.14 0.61 0.00 0.23 0.00 0.00 176.35 177.29 2dku s ARG 64 N -2.45 0.97 -0.24 1.70 1.70 -1.24 -0.51 118.95 118.89 2dku s ARG 64 Ca 0.20 0.23 -0.01 0.00 -0.47 0.00 0.00 55.73 55.67 2dku s ARG 64 Cb -0.09 0.46 0.07 0.00 -0.57 0.00 0.00 34.95 34.81 2dku s ARG 64 CO 0.10 -0.29 0.02 -1.17 -1.08 0.00 0.00 175.30 172.89 2dku s LEU 65 N -1.11 1.93 0.12 -1.89 2.96 -0.56 -1.66 118.68 118.48 2dku s LEU 65 Ca -0.11 -1.15 -0.30 0.00 -0.22 0.00 0.00 54.13 52.35 2dku s LEU 65 Cb -0.01 -0.86 -0.06 0.00 0.50 0.00 0.00 46.19 45.76 2dku s LEU 65 CO 0.08 -0.31 1.00 -0.89 -1.32 0.00 0.00 176.35 174.92 2dku s THR 66 N 1.64 4.33 -0.31 3.68 2.01 -1.18 -1.24 115.64 124.57 2dku s THR 66 Ca 0.00 1.94 -0.01 0.00 0.31 0.00 0.00 61.69 63.93 2dku s THR 66 Cb -0.18 -4.24 0.10 0.00 0.01 0.00 0.00 72.50 68.20 2dku s THR 66 CO -0.11 0.30 0.10 -0.63 -0.69 0.00 0.00 174.62 173.58 2dku s ILE 67 N -0.01 0.83 0.51 1.82 1.01 0.37 -2.13 121.20 123.60 2dku s ILE 67 Ca 0.48 -1.36 0.02 0.00 0.00 0.00 0.00 60.65 59.79 2dku s ILE 67 Cb -0.25 -1.63 0.02 0.00 0.01 0.00 0.00 42.46 40.61 2dku s ILE 67 CO 0.31 -0.68 0.72 -0.55 0.00 0.00 0.00 174.94 174.75 2dku s SER 68 N 1.64 5.46 -1.07 3.58 0.15 -1.22 -1.18 113.70 121.05 2dku s SER 68 Ca 0.10 0.02 -0.06 0.00 0.70 0.00 0.00 55.95 56.70 2dku s SER 68 Cb -0.17 -1.02 0.01 0.00 -1.71 0.00 0.00 66.02 63.13 2dku s SER 68 CO -0.26 -0.99 0.78 0.00 1.20 0.00 0.00 173.24 173.97 2dku n ALA 69 N -2.22 -0.92 -0.72 5.45 0.00 -1.00 -4.86 120.51 116.23 2dku n ALA 69 Ca 0.06 0.29 -0.33 0.00 0.00 0.00 0.00 53.44 53.45 2dku n ALA 69 Cb 0.59 -3.97 0.15 0.00 0.00 0.00 0.00 19.45 16.22 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 -3.69 -2.38 -3.58 0.00 4.77 -1.25 -4.55 117.00 106.31 2dku n LEU 70 Ca -0.02 -0.09 -0.11 0.00 -0.03 0.00 0.00 56.01 55.76 2dku n LEU 70 Cb 0.56 -0.90 -0.05 0.00 -2.33 0.00 0.00 43.42 40.70 2dku n LEU 70 CO 0.45 -3.04 0.74 -1.83 -1.33 0.00 0.00 177.39 172.38 2dku s GLU 71 N -3.24 0.62 0.48 3.23 -1.05 -1.26 -0.98 118.70 116.50 2dku s GLU 71 Ca 0.53 0.22 0.42 0.00 -0.15 0.00 0.00 54.97 55.99 2dku s GLU 71 Cb -0.09 0.29 1.51 0.00 -0.44 0.00 0.00 34.13 35.40 2dku s GLU 71 CO 0.66 -0.18 1.39 1.63 0.95 0.00 0.00 175.26 179.71 2dku n LYS 72 N 0.94 -0.01 0.02 -4.83 4.76 -1.26 0.10 118.16 117.88 2dku n LYS 72 Ca -0.11 0.99 -0.11 0.00 -2.87 0.00 0.00 58.31 56.21 2dku n LYS 72 Cb 0.58 -2.22 -0.09 0.00 -1.84 0.00 0.00 35.03 31.45 2dku n LYS 72 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2dku h ALA 73 N 0.98 -0.13 -0.80 7.82 0.00 -1.94 -3.27 119.26 121.92 2dku h ALA 73 Ca 0.83 -0.27 0.28 0.00 0.00 0.00 0.00 54.91 55.76 2dku h ALA 73 Cb 3.22 0.05 -0.15 0.00 0.00 0.00 0.00 17.79 20.91 2dku h ALA 73 CO -0.09 -0.23 0.25 -0.25 0.00 0.00 0.00 179.25 178.93 2dku n ASP 74 N -4.85 0.12 -4.52 0.00 9.92 0.28 -4.20 116.55 113.29 2dku n ASP 74 Ca -0.08 1.34 -0.38 0.00 -0.53 0.00 0.00 54.79 55.14 2dku n ASP 74 Cb 0.29 -0.58 -0.11 0.00 -0.64 0.00 0.00 41.12 40.08 2dku n ASP 74 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2dku n SER 75 N -4.94 1.00 -2.53 -2.24 3.41 -1.18 -4.78 113.62 102.35 2dku n SER 75 Ca 0.25 -0.15 -0.06 0.00 -0.26 0.00 0.00 58.87 58.65 2dku n SER 75 Cb 0.85 -1.17 0.02 0.00 -0.26 0.00 0.00 64.21 63.65 2dku n SER 75 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2dku n ASP 76 N 12.53 -1.73 -4.62 4.04 -0.08 -1.26 -4.95 116.55 120.49 2dku n ASP 76 Ca 0.55 -2.13 -0.41 0.00 -1.51 0.00 0.00 54.79 51.29 2dku n ASP 76 Cb 0.24 2.86 -0.06 0.00 2.34 0.00 0.00 41.12 46.50 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 -2.25 4.93 0.21 5.18 2.01 -1.26 -3.05 115.64 121.40 2dku s THR 77 Ca 0.14 1.07 0.04 0.00 0.31 0.00 0.00 61.69 63.25 2dku s THR 77 Cb -0.04 -4.00 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 2dku s THR 77 CO 0.08 -0.08 0.32 -0.31 -0.69 0.00 0.00 174.62 173.95 2dku s TYR 78 N 2.62 3.44 -0.03 4.92 1.51 -1.05 -2.78 117.35 125.99 2dku s TYR 78 Ca 0.27 0.02 0.01 0.00 -1.01 0.00 0.00 57.07 56.36 2dku s TYR 78 Cb -0.15 -1.60 0.02 0.00 -0.11 0.00 0.00 41.96 40.13 2dku s TYR 78 CO 0.10 0.47 -0.01 0.99 -1.11 0.00 0.00 175.55 176.00 2dku s THR 79 N -1.90 0.20 -0.71 -0.71 2.01 0.11 -2.85 115.64 111.78 2dku s THR 79 Ca 0.34 0.05 -0.08 0.00 0.31 0.00 0.00 61.69 62.32 2dku s THR 79 Cb -0.10 -0.27 0.19 0.00 0.01 0.00 0.00 72.50 72.32 2dku s THR 79 CO 0.28 0.14 0.58 0.00 -0.69 0.00 0.00 174.62 174.93 2dku s ASP 81 N 1.31 7.42 0.00 0.00 1.11 -1.02 -2.53 116.67 122.95 2dku s ASP 81 Ca 0.17 1.69 0.02 0.00 0.18 0.00 0.00 52.55 54.62 2dku s ASP 81 Cb -0.16 -2.55 -0.01 0.00 1.07 0.00 0.00 42.92 41.26 2dku s ASP 81 CO -0.06 -0.05 0.22 2.30 1.18 0.00 0.00 175.17 178.76 2dku n ILE 82 N 2.84 0.00 0.00 0.77 -5.35 -0.79 -0.61 119.36 116.22 2dku n ILE 82 Ca 0.01 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 62.03 2dku n ILE 82 Cb 0.50 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.41 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 0.80 3.12 0.06 3.28 0.00 -1.26 -4.43 105.19 106.76 2dku n GLY 83 Ca 0.01 -1.13 -0.08 0.00 0.00 0.00 0.00 46.02 44.82 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 1.09 -4.38 1.61 1.13 -1.26 -5.06 117.38 110.51 2dku n GLN 84 Ca 0.00 0.05 -0.19 0.00 -1.94 0.00 0.00 57.00 54.92 2dku n GLN 84 Cb 0.00 -1.27 -0.10 0.00 0.11 0.00 0.00 30.24 28.98 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 -2.26 2.06 -0.11 -1.58 0.00 -1.26 -4.86 121.76 113.75 2dku s ALA 85 Ca -0.13 -1.92 -0.05 0.00 0.00 0.00 0.00 51.96 49.85 2dku s ALA 85 Cb 0.04 0.67 0.05 0.00 0.00 0.00 0.00 23.12 23.88 2dku s ALA 85 CO 0.36 -0.31 0.25 -0.65 0.00 0.00 0.00 175.76 175.40 2dku s GLN 86 N -3.91 0.20 0.72 0.00 1.11 -1.26 -1.89 119.66 114.64 2dku s GLN 86 Ca 0.34 0.55 0.02 0.00 0.01 0.00 0.00 55.36 56.27 2dku s GLN 86 Cb 0.07 -0.12 0.14 0.00 -1.01 0.00 0.00 33.01 32.09 2dku s GLN 86 CO 0.13 -0.17 0.99 0.45 0.01 0.00 0.00 175.29 176.69 2dku s SER 87 N 1.35 4.35 -0.13 5.90 0.15 -1.05 -4.87 113.70 119.40 2dku s SER 87 Ca -0.08 -0.57 -0.29 0.00 0.70 0.00 0.00 55.95 55.71 2dku s SER 87 Cb -0.11 0.25 0.07 0.00 -1.71 0.00 0.00 66.02 64.52 2dku s SER 87 CO -0.09 -1.88 0.69 -0.13 1.20 0.00 0.00 173.24 173.04 2dku s ARG 88 N -5.10 0.97 -0.25 5.44 0.52 -1.26 -2.77 118.95 116.50 2dku s ARG 88 Ca 0.67 0.53 -0.21 0.00 -0.52 0.00 0.00 55.73 56.20 2dku s ARG 88 Cb -0.04 0.46 0.07 0.00 0.52 0.00 0.00 34.95 35.96 2dku s ARG 88 CO 0.44 -0.24 0.67 0.00 0.02 0.00 0.00 175.30 176.19 2dku s ALA 89 N -0.60 -1.68 -0.03 2.13 0.00 -1.13 -4.38 121.76 116.06 2dku s ALA 89 Ca -0.07 1.98 -0.17 0.00 0.00 0.00 0.00 51.96 53.71 2dku s ALA 89 Cb -0.02 -1.16 -0.05 0.00 0.00 0.00 0.00 23.12 21.89 2dku s ALA 89 CO 0.07 -0.33 0.46 -0.65 0.00 0.00 0.00 175.76 175.31 2dku s GLN 90 N 0.64 4.12 0.18 0.00 -0.21 -1.26 -2.54 119.66 120.59 2dku s GLN 90 Ca -0.02 0.48 0.08 0.00 0.02 0.00 0.00 55.36 55.92 2dku s GLN 90 Cb -0.05 -3.30 -0.04 0.00 1.00 0.00 0.00 33.01 30.62 2dku s GLN 90 CO -0.04 0.50 -0.03 -1.17 -2.12 0.00 0.00 175.29 172.43 2dku s LEU 91 N -0.49 3.21 -0.22 2.90 2.96 -1.17 -2.29 118.68 123.58 2dku s LEU 91 Ca 0.25 -0.45 -0.02 0.00 -0.22 0.00 0.00 54.13 53.69 2dku s LEU 91 Cb -0.17 -1.87 0.07 0.00 0.50 0.00 0.00 46.19 44.72 2dku s LEU 91 CO 0.13 0.09 0.04 -0.22 -1.32 0.00 0.00 176.35 175.08 2dku s LEU 92 N -2.92 1.44 -0.93 -0.68 2.96 -0.55 -4.09 118.68 113.91 2dku s LEU 92 Ca 0.27 -1.00 -0.17 0.00 -0.22 0.00 0.00 54.13 53.01 2dku s LEU 92 Cb -0.09 -0.68 0.16 0.00 0.50 0.00 0.00 46.19 46.08 2dku s LEU 92 CO 0.18 -0.32 1.05 -0.69 -1.32 0.00 0.00 176.35 175.24 2dku s VAL 93 N 1.79 5.02 1.30 1.68 1.01 -1.24 -1.24 120.40 128.73 2dku s VAL 93 Ca 0.01 -1.94 -0.21 0.00 0.00 0.00 0.00 61.98 59.84 2dku s VAL 93 Cb -0.17 -4.70 0.33 0.00 0.00 0.00 0.00 36.38 31.83 2dku s VAL 93 CO -0.12 -1.38 0.74 0.00 0.00 0.00 0.00 175.10 174.34 2dku n GLN 94 N 5.69 -4.09 -3.77 2.72 6.02 0.16 -4.49 117.38 119.62 2dku n GLN 94 Ca 0.22 -1.24 -0.37 0.00 -0.01 0.00 0.00 57.00 55.60 2dku n GLN 94 Cb 0.48 -1.71 -0.12 0.00 1.02 0.00 0.00 30.24 29.90 2dku n GLN 94 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2dku s GLY 95 N -2.82 1.86 -0.03 1.08 0.00 -1.26 -1.93 107.32 104.21 2dku s GLY 95 Ca 0.57 -1.90 -0.38 0.00 0.00 0.00 0.00 44.72 43.01 2dku s GLY 95 CO 0.48 0.81 1.51 -2.13 0.00 0.00 0.00 173.10 173.77 2dku n ARG 96 N 4.76 1.26 -3.65 2.90 0.63 -1.26 -0.76 116.66 120.53 2dku n ARG 96 Ca -0.11 0.46 -0.23 0.00 -0.92 0.00 0.00 57.85 57.04 2dku n ARG 96 Cb 0.44 -2.13 0.06 0.00 0.45 0.00 0.00 32.46 31.28 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 3.66 -6.59 -1.88 -0.14 0.63 -1.26 -4.90 116.66 106.18 2dku n ARG 97 Ca 0.21 0.75 -0.42 0.00 -0.92 0.00 0.00 57.85 57.47 2dku n ARG 97 Cb 0.18 -5.67 -0.03 0.00 0.45 0.00 0.00 32.46 27.39 2dku n ARG 97 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2dku s SER 98 N -3.75 6.52 -0.29 6.15 1.04 0.06 -4.97 113.70 118.47 2dku s SER 98 Ca 0.36 2.72 -0.35 0.00 0.48 0.00 0.00 55.95 59.17 2dku s SER 98 Cb -0.17 -2.60 0.17 0.00 0.10 0.00 0.00 66.02 63.52 2dku s SER 98 CO 0.77 -0.85 1.37 -0.83 0.98 0.00 0.00 173.24 174.68 2dku s GLY 99 N 0.97 -0.08 0.83 7.32 0.00 -1.26 -5.12 107.32 109.97 2dku s GLY 99 Ca 0.69 2.29 -0.11 0.00 0.00 0.00 0.00 44.72 47.59 2dku s GLY 99 CO 0.35 0.83 1.09 2.56 0.00 0.00 0.00 173.10 177.93 2dku s PRO 100 N -1.64 1.83 -0.49 2.90 0.04 -1.26 -4.98 135.00 131.40 2dku s PRO 100 Ca 0.11 1.02 0.03 0.00 0.04 0.00 0.00 61.00 62.19 2dku s PRO 100 Cb -0.01 -1.86 0.44 0.00 0.04 0.00 0.00 34.50 33.11 2dku s PRO 100 CO -0.05 -1.90 1.54 0.45 0.04 0.00 0.00 177.00 177.08 2dku n SER 101 N -3.68 6.07 -4.71 6.66 2.88 -1.26 -5.03 113.62 114.56 2dku n SER 101 Ca 0.08 -3.77 -0.42 0.00 -1.33 0.00 0.00 58.87 53.43 2dku n SER 101 Cb 0.54 -0.64 -0.03 0.00 -0.75 0.00 0.00 64.21 63.33 2dku n SER 101 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dku s SER 102 N -2.76 7.08 0.00 -3.46 1.04 -1.26 -5.39 113.70 108.95 2dku s SER 102 Ca 0.55 1.99 0.00 0.00 0.48 0.00 0.00 55.95 58.97 2dku s SER 102 Cb 0.44 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.99 2dku s SER 102 CO -0.05 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.29