#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugj n SER 2 N 0.00 -8.82 -0.30 1.61 7.64 -1.26 -4.35 113.62 108.14 1ugj n SER 2 Ca 0.00 1.26 -0.09 0.00 1.01 0.00 0.00 58.87 61.05 1ugj n SER 2 Cb 0.00 -4.75 -0.05 0.00 -1.01 0.00 0.00 64.21 58.40 1ugj n SER 2 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1ugj h SER 3 N 2.25 -1.74 -0.33 6.43 4.64 -2.08 -3.35 113.55 119.37 1ugj h SER 3 Ca 0.00 0.28 -0.27 0.00 -0.47 0.00 0.00 61.79 61.33 1ugj h SER 3 Cb 0.00 0.79 -0.20 0.00 -0.31 0.00 0.00 62.40 62.68 1ugj h SER 3 CO 0.00 -0.30 -0.57 0.61 -0.87 0.00 0.00 176.83 175.70 1ugj n GLY 4 N -1.37 1.28 2.72 -0.77 0.00 -1.26 -5.01 105.19 100.78 1ugj n GLY 4 Ca 0.03 -0.35 -0.08 0.00 0.00 0.00 0.00 46.02 45.62 1ugj n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ugj n SER 5 N 0.00 -2.89 -3.85 1.61 7.64 -1.26 -5.14 113.62 109.73 1ugj n SER 5 Ca 0.06 -3.13 -0.12 0.00 1.01 0.00 0.00 58.87 56.69 1ugj n SER 5 Cb 0.75 1.64 -0.11 0.00 -1.01 0.00 0.00 64.21 65.49 1ugj n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ugj s SER 6 N -0.80 -0.03 0.43 6.43 0.15 -1.26 -4.71 113.70 113.91 1ugj s SER 6 Ca 0.32 -0.05 -0.21 0.00 0.70 0.00 0.00 55.95 56.70 1ugj s SER 6 Cb 0.15 0.25 -0.13 0.00 -1.71 0.00 0.00 66.02 64.57 1ugj s SER 6 CO -0.18 -0.28 0.33 0.61 1.20 0.00 0.00 173.24 174.93 1ugj n GLY 7 N 1.90 -2.06 3.58 9.45 0.00 -1.26 -4.75 105.19 112.05 1ugj n GLY 7 Ca -0.20 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 1ugj n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ugj s PRO 8 N -1.38 3.22 -0.02 1.61 0.04 -1.26 -4.85 135.00 132.36 1ugj s PRO 8 Ca 0.62 -1.44 -0.23 0.00 0.04 0.00 0.00 61.00 59.99 1ugj s PRO 8 Cb -0.60 -5.36 0.05 0.00 0.04 0.00 0.00 34.50 28.63 1ugj s PRO 8 CO 0.60 -3.06 0.50 -0.98 0.04 0.00 0.00 177.00 174.10 1ugj s ARG 9 N 5.44 0.89 -0.15 4.56 3.03 -1.26 -5.02 118.95 126.44 1ugj s ARG 9 Ca 0.60 -0.01 0.17 0.00 2.03 0.00 0.00 55.73 58.53 1ugj s ARG 9 Cb 0.01 0.41 0.73 0.00 -1.03 0.00 0.00 34.95 35.07 1ugj s ARG 9 CO 0.08 -0.27 1.64 -0.11 -1.13 0.00 0.00 175.30 175.51 1ugj n LEU 10 N 0.99 4.95 -4.76 -1.89 0.00 -1.26 -4.96 117.00 110.07 1ugj n LEU 10 Ca -0.20 -2.62 -0.39 0.00 0.00 0.00 0.00 56.01 52.80 1ugj n LEU 10 Cb 0.57 -0.60 -0.06 0.00 0.00 0.00 0.00 43.42 43.33 1ugj n LEU 10 CO 0.23 0.75 0.63 -0.31 0.00 0.00 0.00 177.39 178.69 1ugj s TYR 11 N -2.16 3.93 -0.29 1.96 2.02 -1.26 -5.03 117.35 116.51 1ugj s TYR 11 Ca 0.51 1.87 -0.19 0.00 -0.37 0.00 0.00 57.07 58.89 1ugj s TYR 11 Cb 0.35 -2.95 0.18 0.00 -0.40 0.00 0.00 41.96 39.14 1ugj s TYR 11 CO 0.21 0.42 1.20 -1.59 -1.57 0.00 0.00 175.55 174.22 1ugj s LYS 12 N -1.34 0.18 0.63 -0.62 0.00 -1.26 -5.00 119.74 112.33 1ugj s LYS 12 Ca 0.42 0.28 -0.18 0.00 0.00 0.00 0.00 55.97 56.50 1ugj s LYS 12 Cb -0.24 0.05 -0.14 0.00 0.00 0.00 0.00 37.83 37.50 1ugj s LYS 12 CO 0.30 -0.03 -0.17 0.39 0.00 0.00 0.00 175.35 175.83 1ugj n GLU 13 N 2.89 0.06 -1.40 1.78 1.02 -1.26 -4.94 120.64 118.78 1ugj n GLU 13 Ca -0.16 0.02 -0.28 0.00 -0.02 0.00 0.00 57.16 56.73 1ugj n GLU 13 Cb 0.57 -1.12 0.21 0.00 -0.02 0.00 0.00 31.44 31.08 1ugj n GLU 13 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1ugj n PRO 14 N 1.42 -2.11 -3.68 3.49 -0.04 -1.26 -5.10 135.00 127.73 1ugj n PRO 14 Ca 0.06 -1.80 -0.09 0.00 -0.04 0.00 0.00 63.50 61.63 1ugj n PRO 14 Cb 0.49 -1.42 -0.10 0.00 -0.04 0.00 0.00 33.50 32.44 1ugj n PRO 14 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1ugj s SER 15 N -4.96 -0.49 -0.65 3.54 0.01 -1.26 -5.11 113.70 104.78 1ugj s SER 15 Ca 0.69 1.00 -0.24 0.00 1.31 0.00 0.00 55.95 58.71 1ugj s SER 15 Cb -0.04 1.04 0.06 0.00 0.21 0.00 0.00 66.02 67.29 1ugj s SER 15 CO 0.51 -0.21 1.02 0.00 0.41 0.00 0.00 173.24 174.97 1ugj s ALA 16 N 1.83 3.05 -0.07 1.44 0.00 -1.26 -4.67 121.76 122.09 1ugj s ALA 16 Ca -0.07 -1.63 0.08 0.00 0.00 0.00 0.00 51.96 50.34 1ugj s ALA 16 Cb -0.09 -3.91 0.17 0.00 0.00 0.00 0.00 23.12 19.29 1ugj s ALA 16 CO -0.14 -2.80 1.13 1.63 0.00 0.00 0.00 175.76 175.58 1ugj n LYS 17 N 7.98 0.31 -1.55 0.00 4.76 -1.26 -5.12 118.16 123.28 1ugj n LYS 17 Ca -0.01 -1.35 -0.58 0.00 -2.87 0.00 0.00 58.31 53.49 1ugj n LYS 17 Cb 0.46 0.29 -0.08 0.00 -1.84 0.00 0.00 35.03 33.86 1ugj n LYS 17 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1ugj n SER 18 N -0.18 0.53 -2.21 4.39 7.64 -1.26 -4.86 113.62 117.67 1ugj n SER 18 Ca -0.18 1.15 -0.24 0.00 1.01 0.00 0.00 58.87 60.61 1ugj n SER 18 Cb 0.82 -0.98 0.01 0.00 -1.01 0.00 0.00 64.21 63.05 1ugj n SER 18 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1ugj n ASN 19 N 2.06 4.68 -0.05 6.43 6.94 -0.74 -4.74 115.26 129.84 1ugj n ASN 19 Ca 0.21 -3.66 -0.18 0.00 -0.02 0.00 0.00 54.58 50.93 1ugj n ASN 19 Cb 0.09 -0.39 -0.13 0.00 -2.36 0.00 0.00 39.78 37.00 1ugj n ASN 19 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 1ugj h LYS 20 N 2.34 0.08 0.00 -3.83 3.64 -1.88 -3.24 116.57 113.68 1ugj h LYS 20 Ca 0.32 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 1ugj h LYS 20 Cb 1.33 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 33.20 1ugj h LYS 20 CO 0.76 1.07 -0.11 0.74 -2.27 0.00 0.00 179.45 179.64 1ugj h PHE 21 N -0.81 0.00 0.00 1.91 -1.00 -1.92 0.22 116.94 115.35 1ugj h PHE 21 Ca -0.13 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.60 1ugj h PHE 21 Cb 1.27 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.82 1ugj h PHE 21 CO 0.21 0.11 -0.20 0.82 -1.61 0.00 0.00 178.31 177.63 1ugj h ILE 22 N 0.00 0.48 0.07 -0.55 2.04 -1.89 -3.03 117.51 114.62 1ugj h ILE 22 Ca -0.00 -1.10 -0.24 0.00 1.00 0.00 0.00 64.86 64.52 1ugj h ILE 22 Cb 0.26 1.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 1ugj h ILE 22 CO 0.01 0.20 -1.25 0.40 0.00 0.00 0.00 178.15 177.51 1ugj h ILE 23 N 0.00 1.06 -1.21 -0.67 1.08 -1.04 -2.85 117.51 113.88 1ugj h ILE 23 Ca -0.00 -2.33 0.35 0.00 -0.39 0.00 0.00 64.86 62.49 1ugj h ILE 23 Cb 0.77 2.64 -0.09 0.00 -3.07 0.00 0.00 36.82 37.06 1ugj h ILE 23 CO 0.03 0.60 0.81 -0.74 -0.69 0.00 0.00 178.15 178.15 1ugj h HIS 24 N -0.55 0.41 0.12 1.37 2.76 -1.13 1.21 115.15 119.34 1ugj h HIS 24 Ca -0.29 0.02 -0.30 0.00 -2.20 0.00 0.00 60.37 57.59 1ugj h HIS 24 Cb 1.57 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 30.41 1ugj h HIS 24 CO 0.13 -0.03 -1.49 -0.91 -1.30 0.00 0.00 177.93 174.34 1ugj h ASN 25 N 0.19 0.39 -0.30 3.26 2.35 -1.64 -3.07 115.58 116.76 1ugj h ASN 25 Ca 0.67 -0.52 0.05 0.00 -0.55 0.00 0.00 56.30 55.95 1ugj h ASN 25 Cb 2.12 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 40.35 1ugj h ASN 25 CO -0.24 1.43 0.21 0.00 -1.65 0.00 0.00 177.43 177.18 1ugj h ALA 26 N 0.51 2.06 0.10 -0.83 0.00 0.16 1.55 119.26 122.80 1ugj h ALA 26 Ca -0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1ugj h ALA 26 Cb 2.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.76 1ugj h ALA 26 CO 0.17 -0.12 -0.05 -0.07 0.00 0.00 0.00 179.25 179.19 1ugj h LEU 27 N 0.18 -0.11 0.00 0.00 3.38 -0.70 -2.08 115.31 115.97 1ugj h LEU 27 Ca 0.13 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1ugj h LEU 27 Cb 0.30 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1ugj h LEU 27 CO -0.02 0.51 0.00 -1.20 0.09 0.00 0.00 178.44 177.82 1ugj n SER 28 N -4.85 0.00 -0.02 -0.43 7.64 -0.83 0.19 113.62 115.33 1ugj n SER 28 Ca -0.08 -0.46 -0.18 0.00 1.01 0.00 0.00 58.87 59.17 1ugj n SER 28 Cb 0.29 -0.11 -0.14 0.00 -1.01 0.00 0.00 64.21 63.24 1ugj n SER 28 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1ugj h HIS 29 N 0.00 0.26 0.00 1.43 3.86 0.23 -3.42 115.15 117.50 1ugj h HIS 29 Ca 0.00 -0.19 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 1ugj h HIS 29 Cb 0.08 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.54 1ugj h HIS 29 CO 0.00 1.20 0.00 0.00 0.86 0.00 0.00 177.93 179.99 1ugj n LEU 32 N -5.50 0.95 -4.72 0.00 4.77 0.94 -2.41 117.00 111.02 1ugj n LEU 32 Ca 0.21 -1.95 -0.38 0.00 -0.03 0.00 0.00 56.01 53.86 1ugj n LEU 32 Cb 0.68 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.69 1ugj n LEU 32 CO -0.07 0.50 0.12 0.00 -1.33 0.00 0.00 177.39 176.62 1ugj s ALA 33 N -0.09 3.51 0.00 -1.18 0.00 0.50 -4.55 121.76 119.94 1ugj s ALA 33 Ca 0.31 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1ugj s ALA 33 Cb 0.35 -2.59 0.00 0.00 0.00 0.00 0.00 23.12 20.88 1ugj s ALA 33 CO -0.15 -0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.01 1ugj n GLY 34 N 3.36 -0.46 0.09 0.00 0.00 -1.26 -4.70 105.19 102.21 1ugj n GLY 34 Ca -0.08 -1.57 -0.14 0.00 0.00 0.00 0.00 46.02 44.23 1ugj n GLY 34 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ugj h LYS 35 N 3.55 0.00 -0.93 1.61 3.11 -1.98 -3.19 116.57 118.75 1ugj h LYS 35 Ca 0.00 0.00 0.21 0.00 -2.81 0.00 0.00 60.65 58.05 1ugj h LYS 35 Cb 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 32.23 31.16 1ugj h LYS 35 CO 0.00 0.61 0.61 -0.39 -2.81 0.00 0.00 179.45 177.48 1ugj h VAL 36 N -1.00 0.65 -0.65 2.00 -1.51 -1.98 1.49 116.25 115.26 1ugj h VAL 36 Ca -0.19 -0.14 -0.21 0.00 -1.23 0.00 0.00 66.70 64.93 1ugj h VAL 36 Cb 0.94 0.22 -0.13 0.00 -2.13 0.00 0.00 31.29 30.20 1ugj h VAL 36 CO -0.11 0.07 0.27 0.59 -1.23 0.00 0.00 177.57 177.16 1ugj n ASN 37 N -4.52 4.30 0.10 4.19 3.02 -1.26 -4.23 115.26 116.87 1ugj n ASN 37 Ca 0.20 -3.05 -0.22 0.00 -0.03 0.00 0.00 54.58 51.48 1ugj n ASN 37 Cb 0.73 -0.72 -0.14 0.00 -0.61 0.00 0.00 39.78 39.04 1ugj n ASN 37 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1ugj h GLU 38 N 2.10 0.51 -0.05 3.52 4.81 0.21 -0.64 114.58 125.05 1ugj h GLU 38 Ca 0.26 -0.78 -0.24 0.00 -0.13 0.00 0.00 59.36 58.47 1ugj h GLU 38 Cb 2.14 0.27 0.01 0.00 0.63 0.00 0.00 28.75 31.80 1ugj h GLU 38 CO 0.66 1.36 -0.93 -1.00 -0.73 0.00 0.00 179.01 178.37 1ugj h PRO 39 N 0.06 0.66 0.19 0.92 0.13 -1.73 -3.12 132.00 129.10 1ugj h PRO 39 Ca -0.20 -0.64 -0.01 0.00 -0.87 0.00 0.00 66.00 64.29 1ugj h PRO 39 Cb 1.91 0.17 0.00 0.00 0.13 0.00 0.00 31.00 33.20 1ugj h PRO 39 CO 0.23 1.24 -0.09 0.37 -0.23 0.00 0.00 178.00 179.52 1ugj h GLN 40 N 0.40 -0.25 -0.98 0.86 4.15 -1.80 -2.99 115.11 114.51 1ugj h GLN 40 Ca -0.09 0.02 0.17 0.00 0.77 0.00 0.00 58.65 59.52 1ugj h GLN 40 Cb 1.56 0.06 -0.17 0.00 0.21 0.00 0.00 27.48 29.14 1ugj h GLN 40 CO 0.18 0.15 -0.32 1.17 -1.93 0.00 0.00 178.83 178.08 1ugj n LYS 41 N -4.95 -0.16 -0.19 1.69 4.81 -0.25 0.21 118.16 119.31 1ugj n LYS 41 Ca -0.08 1.51 -0.01 0.00 -0.87 0.00 0.00 58.31 58.87 1ugj n LYS 41 Cb 0.26 -2.25 0.10 0.00 0.02 0.00 0.00 35.03 33.16 1ugj n LYS 41 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1ugj h ASN 42 N 0.00 0.21 -0.91 3.14 2.35 -1.60 0.65 115.58 119.42 1ugj h ASN 42 Ca 0.40 0.08 0.02 0.00 -0.55 0.00 0.00 56.30 56.24 1ugj h ASN 42 Cb 0.64 0.06 -0.05 0.00 0.05 0.00 0.00 38.32 39.02 1ugj h ASN 42 CO -0.99 0.13 0.60 0.03 -1.65 0.00 0.00 177.43 175.55 1ugj h ARG 43 N 0.39 1.16 0.53 0.81 2.47 0.26 -0.16 114.38 119.84 1ugj h ARG 43 Ca 0.29 -0.07 -0.03 0.00 -1.26 0.00 0.00 59.98 58.92 1ugj h ARG 43 Cb 0.35 -0.26 0.01 0.00 -1.65 0.00 0.00 29.97 28.42 1ugj h ARG 43 CO -0.30 0.77 -0.26 0.82 0.56 0.00 0.00 179.97 181.56 1ugj h ILE 44 N 1.19 0.02 -0.89 2.04 1.08 0.18 -1.31 117.51 119.82 1ugj h ILE 44 Ca 0.34 -0.48 0.22 0.00 -0.39 0.00 0.00 64.86 64.55 1ugj h ILE 44 Cb -0.08 0.03 -0.16 0.00 -3.07 0.00 0.00 36.82 33.54 1ugj h ILE 44 CO -0.09 0.00 -0.02 -0.07 -0.69 0.00 0.00 178.15 177.29 1ugj h LEU 45 N -1.18 -0.48 0.50 1.44 4.07 0.34 0.78 115.31 120.77 1ugj h LEU 45 Ca -0.07 0.25 -0.02 0.00 0.08 0.00 0.00 57.88 58.11 1ugj h LEU 45 Cb 0.55 0.44 0.00 0.00 1.08 0.00 0.00 40.66 42.74 1ugj h LEU 45 CO 0.12 -0.28 -0.26 -0.33 -1.08 0.00 0.00 178.44 176.61 1ugj h GLU 46 N 0.05 -0.67 -0.94 1.13 4.39 -1.02 -0.11 114.58 117.41 1ugj h GLU 46 Ca 0.50 0.05 0.26 0.00 0.34 0.00 0.00 59.36 60.51 1ugj h GLU 46 Cb 0.95 0.15 -0.17 0.00 -0.10 0.00 0.00 28.75 29.57 1ugj h GLU 46 CO -0.83 -0.45 0.03 0.39 -1.16 0.00 0.00 179.01 177.00 1ugj n GLU 47 N -3.95 -0.07 0.09 2.33 -0.58 -0.30 0.20 120.64 118.35 1ugj n GLU 47 Ca -0.09 1.40 -0.13 0.00 -0.42 0.00 0.00 57.16 57.93 1ugj n GLU 47 Cb 0.28 -2.24 -0.08 0.00 -0.57 0.00 0.00 31.44 28.84 1ugj n GLU 47 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1ugj h ILE 48 N 0.00 0.93 0.00 -3.67 2.04 -0.66 1.55 117.51 117.70 1ugj h ILE 48 Ca 0.58 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 66.29 1ugj h ILE 48 Cb 1.20 1.02 -0.00 0.00 -0.74 0.00 0.00 36.82 38.29 1ugj h ILE 48 CO -0.88 0.03 -0.07 -0.33 0.00 0.00 0.00 178.15 176.90 1ugj h GLU 49 N -0.20 0.00 0.00 2.37 5.08 0.32 -0.69 114.58 121.46 1ugj h GLU 49 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1ugj h GLU 49 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1ugj h GLU 49 CO 0.02 0.07 -1.00 0.36 -1.00 0.00 0.00 179.01 177.47 1ugj n LYS 50 N -3.36 0.44 -2.89 2.33 2.85 0.54 -4.88 118.16 113.19 1ugj n LYS 50 Ca -0.01 0.05 -0.40 0.00 -1.05 0.00 0.00 58.31 56.90 1ugj n LYS 50 Cb 0.23 -1.70 -0.06 0.00 -0.65 0.00 0.00 35.03 32.86 1ugj n LYS 50 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1ugj s SER 51 N -4.58 7.47 -0.23 -5.58 0.15 0.52 -4.94 113.70 106.51 1ugj s SER 51 Ca 0.02 1.74 0.05 0.00 0.70 0.00 0.00 55.95 58.46 1ugj s SER 51 Cb 0.12 -2.54 0.46 0.00 -1.71 0.00 0.00 66.02 62.35 1ugj s SER 51 CO 0.79 0.17 1.46 0.29 1.20 0.00 0.00 173.24 177.15 1ugj n LYS 52 N 1.69 2.46 -3.99 5.44 4.76 -1.26 -4.89 118.16 122.37 1ugj n LYS 52 Ca -0.04 -1.93 -0.24 0.00 -2.87 0.00 0.00 58.31 53.23 1ugj n LYS 52 Cb 0.48 -1.84 -0.03 0.00 -1.84 0.00 0.00 35.03 31.80 1ugj n LYS 52 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ugj s ALA 53 N -2.09 3.87 -0.29 7.82 0.00 -1.26 -5.01 121.76 124.81 1ugj s ALA 53 Ca 0.35 -1.15 0.04 0.00 0.00 0.00 0.00 51.96 51.21 1ugj s ALA 53 Cb 0.29 -1.67 -0.03 0.00 0.00 0.00 0.00 23.12 21.71 1ugj s ALA 53 CO 0.08 0.42 0.29 0.27 0.00 0.00 0.00 175.76 176.82 1ugj n ASN 54 N -0.83 0.47 -4.22 0.00 0.23 -1.26 -4.96 115.26 104.69 1ugj n ASN 54 Ca -0.08 -0.74 -0.33 0.00 -0.53 0.00 0.00 54.58 52.91 1ugj n ASN 54 Cb 0.55 0.77 -0.16 0.00 -2.08 0.00 0.00 39.78 38.87 1ugj n ASN 54 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 1ugj s HIS 55 N -1.17 2.68 -0.04 -2.53 2.46 -1.26 -1.78 115.29 113.64 1ugj s HIS 55 Ca 0.03 -1.15 -0.01 0.00 0.47 0.00 0.00 55.06 54.39 1ugj s HIS 55 Cb 0.03 -1.81 0.03 0.00 -0.13 0.00 0.00 32.58 30.70 1ugj s HIS 55 CO 0.15 -0.51 0.04 -0.06 -2.47 0.00 0.00 174.74 171.89 1ugj s PHE 56 N 0.68 0.22 0.23 3.88 0.40 -1.26 -1.96 117.98 120.17 1ugj s PHE 56 Ca -0.09 0.13 0.06 0.00 -0.60 0.00 0.00 56.93 56.42 1ugj s PHE 56 Cb -0.16 -0.52 -0.03 0.00 0.51 0.00 0.00 43.02 42.81 1ugj s PHE 56 CO 0.02 -0.21 0.26 -0.51 0.70 0.00 0.00 175.22 175.48 1ugj s LEU 57 N 1.91 4.05 -0.23 -0.37 1.02 0.18 -4.82 118.68 120.42 1ugj s LEU 57 Ca 0.02 -0.08 -0.05 0.00 0.02 0.00 0.00 54.13 54.04 1ugj s LEU 57 Cb -0.12 -2.60 -0.02 0.00 0.02 0.00 0.00 46.19 43.48 1ugj s LEU 57 CO -0.03 -0.03 0.00 -0.63 0.02 0.00 0.00 176.35 175.68 1ugj s ILE 58 N -2.00 3.74 -0.13 -0.59 1.01 -1.25 -2.05 121.20 119.93 1ugj s ILE 58 Ca 0.33 -0.38 -0.20 0.00 0.00 0.00 0.00 60.65 60.40 1ugj s ILE 58 Cb -0.09 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.62 1ugj s ILE 58 CO 0.27 0.38 0.56 -0.22 0.00 0.00 0.00 174.94 175.92 1ugj s LEU 59 N 1.53 4.25 0.31 2.97 2.96 -0.63 -1.91 118.68 128.16 1ugj s LEU 59 Ca 0.06 0.89 0.09 0.00 -0.22 0.00 0.00 54.13 54.95 1ugj s LEU 59 Cb -0.15 -2.82 -0.05 0.00 0.50 0.00 0.00 46.19 43.68 1ugj s LEU 59 CO -0.01 -0.09 0.04 -0.36 -1.32 0.00 0.00 176.35 174.62 1ugj s PHE 60 N 0.98 2.65 0.20 5.38 0.08 -1.20 -1.09 117.98 124.96 1ugj s PHE 60 Ca 0.29 -0.34 -0.11 0.00 0.12 0.00 0.00 56.93 56.90 1ugj s PHE 60 Cb -0.16 -1.41 0.23 0.00 -0.57 0.00 0.00 43.02 41.11 1ugj s PHE 60 CO 0.12 0.49 1.75 -0.09 -0.10 0.00 0.00 175.22 177.39 1ugj h ARG 61 N 1.77 0.38 0.00 0.44 9.65 -1.73 -3.42 114.38 121.47 1ugj h ARG 61 Ca -0.44 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.42 1ugj h ARG 61 Cb 1.25 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.75 1ugj h ARG 61 CO 0.63 0.25 0.00 -3.47 2.80 0.00 0.00 179.97 180.18 1ugj n ASP 62 N -5.00 -0.23 -3.36 -3.80 2.03 -1.26 -4.89 116.55 100.03 1ugj n ASP 62 Ca 0.07 0.06 0.02 0.00 0.52 0.00 0.00 54.79 55.46 1ugj n ASP 62 Cb 0.24 0.55 -0.02 0.00 -0.72 0.00 0.00 41.12 41.16 1ugj n ASP 62 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1ugj s SER 63 N -2.90 -1.28 -1.81 1.67 0.01 -1.26 -4.74 113.70 103.39 1ugj s SER 63 Ca 0.00 1.17 -0.22 0.00 1.31 0.00 0.00 55.95 58.21 1ugj s SER 63 Cb 0.00 2.22 0.21 0.00 0.21 0.00 0.00 66.02 68.67 1ugj s SER 63 CO 0.00 -0.24 0.66 -1.54 0.41 0.00 0.00 173.24 172.53 1ugj n SER 64 N 5.44 -2.33 -3.81 2.44 3.41 -1.26 -4.80 113.62 112.71 1ugj n SER 64 Ca -0.06 -1.15 -0.41 0.00 -0.26 0.00 0.00 58.87 56.99 1ugj n SER 64 Cb 0.50 -1.97 0.01 0.00 -0.26 0.00 0.00 64.21 62.49 1ugj n SER 64 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ugj n GLN 66 N 0.72 -1.89 -2.55 0.00 3.00 -1.26 -3.66 117.38 111.75 1ugj n GLN 66 Ca 0.34 1.36 -0.35 0.00 -0.01 0.00 0.00 57.00 58.34 1ugj n GLN 66 Cb 0.31 -2.40 -0.04 0.00 0.00 0.00 0.00 30.24 28.11 1ugj n GLN 66 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.06 177.18 1ugj s PHE 67 N -2.71 3.13 0.00 1.08 2.19 -1.01 -4.20 117.98 116.46 1ugj s PHE 67 Ca 0.00 1.61 0.00 0.00 0.33 0.00 0.00 56.93 58.87 1ugj s PHE 67 Cb 0.00 -3.09 0.00 0.00 -1.31 0.00 0.00 43.02 38.62 1ugj s PHE 67 CO 0.00 -0.72 0.00 0.54 1.83 0.00 0.00 175.22 176.87 1ugj n ARG 68 N -0.55 0.00 -3.64 10.12 5.12 -0.25 -4.90 116.66 122.56 1ugj n ARG 68 Ca 0.07 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 55.93 1ugj n ARG 68 Cb 0.51 -0.60 -0.07 0.00 -1.16 0.00 0.00 32.46 31.15 1ugj n ARG 68 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ugj s ALA 69 N -1.73 -2.12 0.28 7.54 0.00 -1.19 -4.12 121.76 120.43 1ugj s ALA 69 Ca 0.00 1.92 -0.11 0.00 0.00 0.00 0.00 51.96 53.78 1ugj s ALA 69 Cb 0.00 -1.59 -0.07 0.00 0.00 0.00 0.00 23.12 21.46 1ugj s ALA 69 CO 0.00 -0.24 0.63 -1.17 0.00 0.00 0.00 175.76 174.98 1ugj s LEU 70 N 0.49 4.09 0.01 0.00 2.96 0.73 -1.61 118.68 125.34 1ugj s LEU 70 Ca 0.01 1.03 -0.09 0.00 -0.22 0.00 0.00 54.13 54.85 1ugj s LEU 70 Cb -0.05 -3.82 0.00 0.00 0.50 0.00 0.00 46.19 42.83 1ugj s LEU 70 CO -0.10 -0.16 0.17 -0.31 -1.32 0.00 0.00 176.35 174.63 1ugj s TYR 71 N -1.96 0.02 -0.17 5.38 1.51 -0.87 -1.71 117.35 119.55 1ugj s TYR 71 Ca 0.49 -0.12 -0.03 0.00 -1.01 0.00 0.00 57.07 56.41 1ugj s TYR 71 Cb -0.11 -0.03 -0.02 0.00 -0.11 0.00 0.00 41.96 41.70 1ugj s TYR 71 CO 0.22 -0.33 -0.07 0.95 -1.11 0.00 0.00 175.55 175.21 1ugj s THR 72 N -1.65 3.44 0.14 -0.71 -4.23 -0.80 0.49 115.64 112.32 1ugj s THR 72 Ca -0.12 -0.50 -0.30 0.00 -1.18 0.00 0.00 61.69 59.58 1ugj s THR 72 Cb -0.06 -2.51 -0.07 0.00 1.34 0.00 0.00 72.50 71.21 1ugj s THR 72 CO 0.01 0.48 1.14 -0.22 -0.54 0.00 0.00 174.62 175.49 1ugj s LEU 73 N 0.75 4.44 -0.22 4.79 2.96 -0.83 -2.18 118.68 128.40 1ugj s LEU 73 Ca -0.03 2.08 -0.23 0.00 -0.22 0.00 0.00 54.13 55.73 1ugj s LEU 73 Cb -0.15 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 42.93 1ugj s LEU 73 CO 0.02 -0.33 0.72 -0.44 -1.32 0.00 0.00 176.35 175.00 1ugj s SER 74 N 0.34 6.75 0.31 3.68 0.01 -0.95 -4.60 113.70 119.24 1ugj s SER 74 Ca 0.53 0.92 0.25 0.00 1.31 0.00 0.00 55.95 58.96 1ugj s SER 74 Cb -0.30 -2.39 1.09 0.00 0.21 0.00 0.00 66.02 64.63 1ugj s SER 74 CO 0.33 -0.39 1.74 1.23 0.41 0.00 0.00 173.24 176.57 1ugj h GLY 75 N 8.66 0.00 1.94 3.44 0.00 -1.94 -2.06 103.07 113.11 1ugj h GLY 75 Ca -0.28 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 46.85 1ugj h GLY 75 CO 0.81 0.00 -0.93 1.05 0.00 0.00 0.00 176.54 177.47 1ugj h GLU 76 N 0.00 0.05 0.00 4.80 9.09 -1.97 -3.48 114.58 123.07 1ugj h GLU 76 Ca 0.00 -0.07 0.00 0.00 0.05 0.00 0.00 59.36 59.34 1ugj h GLU 76 Cb 0.30 0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.43 1ugj h GLU 76 CO 0.00 0.94 0.00 0.25 0.05 0.00 0.00 179.01 180.25 1ugj n THR 77 N -3.49 0.00 -0.30 -1.06 -2.24 -0.77 -5.04 114.28 101.38 1ugj n THR 77 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1ugj n THR 77 Cb 0.87 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 1ugj n THR 77 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ugj n GLU 78 N 0.00 0.07 -1.67 -0.78 1.02 -1.26 -4.61 120.64 113.41 1ugj n GLU 78 Ca 0.00 -0.58 -0.31 0.00 -0.02 0.00 0.00 57.16 56.25 1ugj n GLU 78 Cb 0.00 -0.85 0.05 0.00 -0.02 0.00 0.00 31.44 30.62 1ugj n GLU 78 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1ugj s GLU 79 N -0.19 2.87 -0.09 3.49 8.01 -1.26 -4.46 118.70 127.06 1ugj s GLU 79 Ca 0.00 0.77 0.02 0.00 0.01 0.00 0.00 54.97 55.77 1ugj s GLU 79 Cb 0.00 -2.00 0.01 0.00 -4.31 0.00 0.00 34.13 27.83 1ugj s GLU 79 CO 0.00 -1.10 -0.16 -0.51 0.01 0.00 0.00 175.26 173.50 1ugj s LEU 80 N -5.50 1.79 0.17 1.80 1.43 0.16 -2.24 118.68 116.29 1ugj s LEU 80 Ca 0.58 -0.42 -0.09 0.00 -1.03 0.00 0.00 54.13 53.18 1ugj s LEU 80 Cb -0.13 -1.08 -0.06 0.00 0.03 0.00 0.00 46.19 44.95 1ugj s LEU 80 CO 0.54 0.06 0.48 -0.55 0.23 0.00 0.00 176.35 177.11 1ugj s SER 81 N 0.71 6.61 -0.77 2.29 0.15 -0.92 0.13 113.70 121.90 1ugj s SER 81 Ca -0.12 0.82 -0.27 0.00 0.70 0.00 0.00 55.95 57.08 1ugj s SER 81 Cb -0.16 -2.19 0.03 0.00 -1.71 0.00 0.00 66.02 62.00 1ugj s SER 81 CO 0.03 0.02 1.31 -0.60 1.20 0.00 0.00 173.24 175.20 1ugj s ARG 82 N -2.55 3.22 -0.00 5.44 3.52 0.34 -1.90 118.95 127.02 1ugj s ARG 82 Ca 0.42 -0.32 -0.23 0.00 -0.13 0.00 0.00 55.73 55.48 1ugj s ARG 82 Cb -0.12 -4.31 -0.13 0.00 -1.56 0.00 0.00 34.95 28.82 1ugj s ARG 82 CO 0.21 -2.17 0.99 1.25 -0.81 0.00 0.00 175.30 174.78 1ugj h LEU 83 N 13.08 -0.60 -7.31 -0.88 5.85 -1.64 -3.47 115.31 120.34 1ugj h LEU 83 Ca -0.23 -0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.36 1ugj h LEU 83 Cb 1.05 0.16 -0.21 0.00 0.37 0.00 0.00 40.66 42.02 1ugj h LEU 83 CO 1.29 -0.20 -0.15 0.00 -0.34 0.00 0.00 178.44 179.04 1ugj s ALA 84 N -4.60 -1.11 0.00 1.25 0.00 -1.10 -5.02 121.76 111.18 1ugj s ALA 84 Ca -0.12 0.93 0.00 0.00 0.00 0.00 0.00 51.96 52.77 1ugj s ALA 84 Cb 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.83 1ugj s ALA 84 CO 0.40 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.31 1ugj n GLY 85 N 1.90 0.39 0.56 0.00 0.00 -1.26 -0.20 105.19 106.58 1ugj n GLY 85 Ca -0.17 -1.23 -0.00 0.00 0.00 0.00 0.00 46.02 44.61 1ugj n GLY 85 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1ugj n TYR 86 N 0.77 0.00 -0.52 1.61 4.11 -1.26 -5.05 117.16 116.83 1ugj n TYR 86 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 57.90 57.85 1ugj n TYR 86 Cb 0.00 0.15 0.00 0.00 -0.00 0.00 0.00 39.34 39.49 1ugj n TYR 86 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1ugj n GLY 87 N 0.02 0.90 3.71 -7.48 0.00 -1.26 -5.01 105.19 96.07 1ugj n GLY 87 Ca -0.01 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 1ugj n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ugj s PRO 88 N 1.37 4.46 0.24 1.61 0.04 -1.26 -4.92 135.00 136.55 1ugj s PRO 88 Ca 0.00 1.72 -0.07 0.00 0.04 0.00 0.00 61.00 62.69 1ugj s PRO 88 Cb 0.00 -3.35 0.39 0.00 0.04 0.00 0.00 34.50 31.58 1ugj s PRO 88 CO 0.00 -0.20 1.36 -2.13 0.04 0.00 0.00 177.00 176.07 1ugj n ARG 89 N 3.78 -0.08 -4.27 4.56 0.63 -1.26 -4.40 116.66 115.61 1ugj n ARG 89 Ca 0.08 1.36 -0.15 0.00 -0.92 0.00 0.00 57.85 58.22 1ugj n ARG 89 Cb 0.47 -2.03 -0.10 0.00 0.45 0.00 0.00 32.46 31.25 1ugj n ARG 89 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1ugj s THR 90 N -6.09 1.03 0.03 5.15 2.01 -1.26 0.13 115.64 116.63 1ugj s THR 90 Ca -0.13 -2.03 0.03 0.00 0.31 0.00 0.00 61.69 59.86 1ugj s THR 90 Cb 0.23 -2.04 -0.02 0.00 0.01 0.00 0.00 72.50 70.69 1ugj s THR 90 CO 0.68 -0.58 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.25 1ugj s VAL 91 N -3.42 0.65 0.32 3.82 1.01 0.34 -4.94 120.40 118.18 1ugj s VAL 91 Ca 0.21 -0.80 0.09 0.00 0.00 0.00 0.00 61.98 61.49 1ugj s VAL 91 Cb 0.04 -0.64 -0.06 0.00 0.00 0.00 0.00 36.38 35.73 1ugj s VAL 91 CO 0.03 -0.13 -0.11 0.42 0.00 0.00 0.00 175.10 175.32 1ugj s THR 92 N -0.86 2.18 -1.27 3.92 -4.23 -1.26 0.40 115.64 114.51 1ugj s THR 92 Ca -0.03 -2.23 0.22 0.00 -1.18 0.00 0.00 61.69 58.47 1ugj s THR 92 Cb -0.07 -2.55 0.32 0.00 1.34 0.00 0.00 72.50 71.53 1ugj s THR 92 CO 0.00 -0.25 1.72 -0.81 -0.54 0.00 0.00 174.62 174.74 1ugj n PRO 93 N -0.73 0.20 0.10 3.99 -0.04 -1.26 -1.97 135.00 135.29 1ugj n PRO 93 Ca -0.05 0.09 0.12 0.00 -0.04 0.00 0.00 63.50 63.62 1ugj n PRO 93 Cb 0.63 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.63 1ugj n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ugj h ALA 94 N 2.95 0.52 0.00 0.55 0.00 -1.95 -3.33 119.26 118.00 1ugj h ALA 94 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1ugj h ALA 94 Cb 0.27 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1ugj h ALA 94 CO 0.00 0.00 -2.12 -1.33 0.00 0.00 0.00 179.25 175.80 1ugj n MET 95 N -2.54 0.67 -2.00 0.00 2.81 -0.91 -4.95 117.12 110.21 1ugj n MET 95 Ca 0.01 -0.11 -0.41 0.00 -1.81 0.00 0.00 57.70 55.38 1ugj n MET 95 Cb 0.52 -1.53 -0.01 0.00 -0.71 0.00 0.00 33.22 31.48 1ugj n MET 95 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1ugj s VAL 96 N -3.11 2.48 -0.23 2.03 0.11 -0.83 0.01 120.40 120.86 1ugj s VAL 96 Ca -0.09 0.47 -0.15 0.00 -2.93 0.00 0.00 61.98 59.29 1ugj s VAL 96 Cb 0.11 -3.30 -0.17 0.00 -1.53 0.00 0.00 36.38 31.48 1ugj s VAL 96 CO 0.88 0.11 0.00 1.21 -3.33 0.00 0.00 175.10 173.96 1ugj n GLU 97 N 0.88 0.60 -3.71 1.54 2.13 0.38 -4.73 120.64 117.74 1ugj n GLU 97 Ca 0.01 0.40 -0.11 0.00 0.66 0.00 0.00 57.16 58.12 1ugj n GLU 97 Cb 0.41 -1.64 -0.06 0.00 0.27 0.00 0.00 31.44 30.42 1ugj n GLU 97 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1ugj s GLY 98 N -5.31 -0.17 0.11 8.31 0.00 -1.18 -5.02 107.32 104.06 1ugj s GLY 98 Ca -0.32 -0.09 0.09 0.00 0.00 0.00 0.00 44.72 44.41 1ugj s GLY 98 CO 0.58 -0.32 -0.24 -0.26 0.00 0.00 0.00 173.10 172.86 1ugj s ILE 99 N -3.32 1.97 0.01 0.90 -4.36 -1.26 -1.99 121.20 113.15 1ugj s ILE 99 Ca 0.00 -1.63 -0.08 0.00 -0.26 0.00 0.00 60.65 58.69 1ugj s ILE 99 Cb 0.01 -1.76 0.00 0.00 1.25 0.00 0.00 42.46 41.96 1ugj s ILE 99 CO -0.08 0.03 0.15 -0.31 0.24 0.00 0.00 174.94 174.97 1ugj s TYR 100 N -1.09 0.03 0.00 1.37 1.51 0.60 -0.64 117.35 119.13 1ugj s TYR 100 Ca 0.10 -0.13 0.00 0.00 -1.01 0.00 0.00 57.07 56.03 1ugj s TYR 100 Cb -0.10 -0.04 0.00 0.00 -0.11 0.00 0.00 41.96 41.71 1ugj s TYR 100 CO 0.05 -0.31 0.00 0.36 -1.11 0.00 0.00 175.55 174.54 1ugj n LYS 101 N 1.34 1.58 -3.54 -0.62 2.85 0.50 0.12 118.16 120.40 1ugj n LYS 101 Ca -0.22 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 56.85 1ugj n LYS 101 Cb 0.56 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.80 1ugj n LYS 101 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 177.40 176.88 1ugj s TYR 102 N 0.88 -0.21 -0.66 5.58 6.14 -1.26 -3.53 117.35 124.29 1ugj s TYR 102 Ca 0.00 0.23 -0.27 0.00 0.64 0.00 0.00 57.07 57.68 1ugj s TYR 102 Cb 0.00 -0.38 -0.01 0.00 0.42 0.00 0.00 41.96 41.99 1ugj s TYR 102 CO 0.00 -0.54 1.71 -0.80 0.64 0.00 0.00 175.55 176.56 1ugj s ASN 103 N 2.30 5.51 0.00 4.32 0.01 0.22 -4.78 114.94 122.53 1ugj s ASN 103 Ca 0.06 0.09 0.20 0.00 -0.71 0.00 0.00 52.86 52.49 1ugj s ASN 103 Cb -0.15 -2.54 0.99 0.00 0.41 0.00 0.00 41.25 39.96 1ugj s ASN 103 CO -0.11 -2.24 1.66 -1.20 -1.51 0.00 0.00 177.10 173.71 1ugj n SER 104 N 11.86 0.60 -0.02 -1.22 7.64 -1.26 -0.35 113.62 130.86 1ugj n SER 104 Ca 0.16 -1.52 -0.03 0.00 1.01 0.00 0.00 58.87 58.50 1ugj n SER 104 Cb 0.51 -0.04 -0.02 0.00 -1.01 0.00 0.00 64.21 63.66 1ugj n SER 104 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1ugj n ASP 105 N -0.39 3.73 -0.03 6.43 8.00 -1.26 -4.64 116.55 128.39 1ugj n ASP 105 Ca 0.15 -0.02 0.11 0.00 0.71 0.00 0.00 54.79 55.74 1ugj n ASP 105 Cb 0.16 -0.00 0.14 0.00 -0.02 0.00 0.00 41.12 41.40 1ugj n ASP 105 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1ugj n ARG 106 N -2.57 0.10 -3.46 -1.24 1.74 -1.23 -4.95 116.66 105.05 1ugj n ARG 106 Ca -0.07 -0.07 -0.23 0.00 -0.77 0.00 0.00 57.85 56.71 1ugj n ARG 106 Cb 0.58 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.59 1ugj n ARG 106 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1ugj n LYS 107 N -1.39 -7.18 -3.05 5.56 5.02 0.52 -4.98 118.16 112.66 1ugj n LYS 107 Ca 0.06 0.81 -0.10 0.00 -2.02 0.00 0.00 58.31 57.06 1ugj n LYS 107 Cb 0.34 -5.75 -0.03 0.00 -0.02 0.00 0.00 35.03 29.57 1ugj n LYS 107 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ugj n ARG 108 N -4.68 0.48 -4.58 1.97 5.12 -1.00 -4.97 116.66 109.00 1ugj n ARG 108 Ca -0.01 -1.54 -0.23 0.00 -1.93 0.00 0.00 57.85 54.14 1ugj n ARG 108 Cb 0.57 1.04 -0.14 0.00 -1.16 0.00 0.00 32.46 32.77 1ugj n ARG 108 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1ugj s PHE 109 N -2.42 1.48 0.11 -1.55 0.08 -1.26 0.72 117.98 115.14 1ugj s PHE 109 Ca 0.14 -0.33 0.04 0.00 0.12 0.00 0.00 56.93 56.90 1ugj s PHE 109 Cb 0.01 -0.91 -0.04 0.00 -0.57 0.00 0.00 43.02 41.51 1ugj s PHE 109 CO 0.10 0.03 -0.11 0.99 -0.10 0.00 0.00 175.22 176.13 1ugj s THR 110 N -0.68 1.04 0.30 0.64 2.01 -1.23 -4.92 115.64 112.79 1ugj s THR 110 Ca 0.05 -1.71 -0.05 0.00 0.31 0.00 0.00 61.69 60.29 1ugj s THR 110 Cb -0.08 -1.46 -0.05 0.00 0.01 0.00 0.00 72.50 70.93 1ugj s THR 110 CO 0.01 -0.56 0.56 -1.58 -0.69 0.00 0.00 174.62 172.35 1ugj s GLN 111 N -2.91 3.62 -0.06 4.92 0.74 -1.26 0.19 119.66 124.90 1ugj s GLN 111 Ca 0.08 -0.01 -0.07 0.00 0.05 0.00 0.00 55.36 55.40 1ugj s GLN 111 Cb -0.02 -2.64 -0.04 0.00 1.10 0.00 0.00 33.01 31.40 1ugj s GLN 111 CO 0.01 0.20 0.20 0.42 -0.55 0.00 0.00 175.29 175.57 1ugj s ILE 112 N -2.11 5.40 -1.54 -2.34 -1.09 0.18 -4.72 121.20 114.98 1ugj s ILE 112 Ca 0.44 0.21 0.23 0.00 -2.23 0.00 0.00 60.65 59.30 1ugj s ILE 112 Cb -0.11 -3.49 0.46 0.00 -1.58 0.00 0.00 42.46 37.74 1ugj s ILE 112 CO 0.31 0.51 1.76 -0.81 -1.23 0.00 0.00 174.94 175.47 1ugj n PRO 113 N 1.60 0.41 -4.17 2.79 -0.04 -1.26 -4.73 135.00 129.60 1ugj n PRO 113 Ca -0.16 0.06 -0.28 0.00 -0.04 0.00 0.00 63.50 63.08 1ugj n PRO 113 Cb 0.54 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.42 1ugj n PRO 113 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ugj s ALA 114 N -2.46 3.26 -2.28 0.55 0.00 -1.26 -5.01 121.76 114.57 1ugj s ALA 114 Ca 0.24 -1.26 0.20 0.00 0.00 0.00 0.00 51.96 51.15 1ugj s ALA 114 Cb 0.16 -1.10 0.29 0.00 0.00 0.00 0.00 23.12 22.47 1ugj s ALA 114 CO 0.33 0.57 1.25 1.63 0.00 0.00 0.00 175.76 179.54 1ugj n LYS 115 N 0.13 2.13 -3.66 0.00 4.01 -1.26 -4.53 118.16 114.97 1ugj n LYS 115 Ca -0.10 -1.97 -0.21 0.00 -0.51 0.00 0.00 58.31 55.52 1ugj n LYS 115 Cb 0.54 -1.42 -0.03 0.00 -0.51 0.00 0.00 35.03 33.60 1ugj n LYS 115 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1ugj s THR 116 N -1.48 2.89 0.69 -0.18 2.01 -1.26 -4.91 115.64 113.40 1ugj s THR 116 Ca 0.30 -1.37 -0.14 0.00 0.31 0.00 0.00 61.69 60.78 1ugj s THR 116 Cb 0.19 -3.05 0.02 0.00 0.01 0.00 0.00 72.50 69.67 1ugj s THR 116 CO 0.27 -0.05 1.13 -0.04 -0.69 0.00 0.00 174.62 175.23 1ugj s MET 117 N -4.08 2.57 -0.24 4.92 -1.94 -1.26 -4.99 119.30 114.27 1ugj s MET 117 Ca 0.46 1.44 -0.31 0.00 -1.71 0.00 0.00 55.69 55.57 1ugj s MET 117 Cb -0.04 -1.92 0.17 0.00 2.01 0.00 0.00 34.83 35.05 1ugj s MET 117 CO 0.27 -1.44 1.25 0.45 -0.01 0.00 0.00 175.02 175.54 1ugj s SER 118 N -2.56 -0.13 0.17 3.03 0.15 -1.26 -4.99 113.70 108.11 1ugj s SER 118 Ca 0.68 0.11 0.13 0.00 0.70 0.00 0.00 55.95 57.57 1ugj s SER 118 Cb -0.22 0.11 0.67 0.00 -1.71 0.00 0.00 66.02 64.88 1ugj s SER 118 CO 0.44 -0.14 1.40 0.23 1.20 0.00 0.00 173.24 176.37 1ugj n MET 119 N 0.43 0.08 -0.64 5.44 2.81 -1.26 -1.10 117.12 122.88 1ugj n MET 119 Ca -0.02 0.54 -0.07 0.00 -1.81 0.00 0.00 57.70 56.34 1ugj n MET 119 Cb 0.58 -1.75 0.15 0.00 -0.71 0.00 0.00 33.22 31.50 1ugj n MET 119 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1ugj n SER 120 N -1.92 3.55 -4.21 7.83 7.64 -1.26 -4.84 113.62 120.41 1ugj n SER 120 Ca -0.00 -2.79 -0.27 0.00 1.01 0.00 0.00 58.87 56.82 1ugj n SER 120 Cb 0.04 -0.66 -0.16 0.00 -1.01 0.00 0.00 64.21 62.42 1ugj n SER 120 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ugj s VAL 121 N -1.94 1.61 0.00 0.44 1.01 -0.26 -4.15 120.40 117.11 1ugj s VAL 121 Ca 0.32 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.43 1ugj s VAL 121 Cb 0.26 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 35.30 1ugj s VAL 121 CO 0.07 0.46 0.74 0.47 0.00 0.00 0.00 175.10 176.84 1ugj n ASP 122 N 2.60 0.00 -3.56 3.32 9.92 0.27 -4.88 116.55 124.22 1ugj n ASP 122 Ca -0.15 -1.50 -0.11 0.00 -0.53 0.00 0.00 54.79 52.50 1ugj n ASP 122 Cb 0.53 -0.10 -0.05 0.00 -0.64 0.00 0.00 41.12 40.86 1ugj n ASP 122 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ugj s ALA 123 N 0.00 -1.90 -0.05 2.24 0.00 0.32 -3.75 121.76 118.62 1ugj s ALA 123 Ca 0.00 1.48 -0.30 0.00 0.00 0.00 0.00 51.96 53.14 1ugj s ALA 123 Cb 0.00 -0.48 0.08 0.00 0.00 0.00 0.00 23.12 22.72 1ugj s ALA 123 CO 0.00 -0.36 0.72 -0.59 0.00 0.00 0.00 175.76 175.53 1ugj s PHE 124 N -1.38 -0.60 -0.05 0.00 -0.71 -0.81 -0.29 117.98 114.15 1ugj s PHE 124 Ca -0.02 0.97 0.02 0.00 -1.04 0.00 0.00 56.93 56.85 1ugj s PHE 124 Cb -0.00 0.43 0.02 0.00 -1.21 0.00 0.00 43.02 42.25 1ugj s PHE 124 CO 0.01 -0.59 -0.08 0.95 -1.34 0.00 0.00 175.22 174.17 1ugj s THR 125 N -1.44 0.81 0.59 -4.49 -4.23 -0.84 -3.27 115.64 102.76 1ugj s THR 125 Ca -0.08 -0.30 -0.09 0.00 -1.18 0.00 0.00 61.69 60.03 1ugj s THR 125 Cb -0.00 -0.76 -0.03 0.00 1.34 0.00 0.00 72.50 73.05 1ugj s THR 125 CO 0.06 0.28 0.97 0.27 -0.54 0.00 0.00 174.62 175.66 1ugj s ILE 126 N 0.67 4.49 0.96 2.99 -4.36 -1.26 0.14 121.20 124.83 1ugj s ILE 126 Ca -0.11 0.57 -0.13 0.00 -0.26 0.00 0.00 60.65 60.72 1ugj s ILE 126 Cb -0.14 -3.78 0.14 0.00 1.25 0.00 0.00 42.46 39.93 1ugj s ILE 126 CO 0.02 -0.94 0.21 0.00 0.24 0.00 0.00 174.94 174.47 1ugj n GLN 127 N -2.65 -1.94 -0.08 0.37 1.13 0.10 -4.57 117.38 109.75 1ugj n GLN 127 Ca 0.05 -0.57 -0.08 0.00 -1.94 0.00 0.00 57.00 54.45 1ugj n GLN 127 Cb 0.55 -1.41 -0.03 0.00 0.11 0.00 0.00 30.24 29.45 1ugj n GLN 127 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ugj n GLY 128 N 2.52 -0.91 0.61 1.08 0.00 -1.26 -4.14 105.19 103.09 1ugj n GLY 128 Ca 0.05 -0.13 0.47 0.00 0.00 0.00 0.00 46.02 46.41 1ugj n GLY 128 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1ugj n HIS 129 N -4.57 0.13 0.37 1.61 1.44 -1.26 0.98 115.22 113.92 1ugj n HIS 129 Ca -0.12 0.13 -0.16 0.00 -2.01 0.00 0.00 57.72 55.55 1ugj n HIS 129 Cb 0.36 -0.58 -0.08 0.00 0.12 0.00 0.00 29.99 29.82 1ugj n HIS 129 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1ugj h LEU 130 N 0.00 -0.95 -0.09 2.39 3.38 -1.82 -3.16 115.31 115.08 1ugj h LEU 130 Ca 0.85 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.89 1ugj h LEU 130 Cb 3.30 0.26 -0.05 0.00 0.09 0.00 0.00 40.66 44.27 1ugj h LEU 130 CO -0.09 -0.61 -0.40 -0.50 0.09 0.00 0.00 178.44 176.93 1ugj h TRP 131 N -1.00 -1.18 -3.34 1.13 4.06 0.45 -3.41 115.95 112.66 1ugj h TRP 131 Ca -0.09 0.04 -0.52 0.00 2.06 0.00 0.00 58.89 60.38 1ugj h TRP 131 Cb 0.78 0.53 0.22 0.00 -1.00 0.00 0.00 29.16 29.69 1ugj h TRP 131 CO -0.01 -0.40 -0.59 1.04 -3.56 0.00 0.00 178.44 174.92 1ugj n GLN 132 N -4.65 -0.42 -1.60 0.49 1.13 -0.91 -4.95 117.38 106.47 1ugj n GLN 132 Ca -0.05 -0.08 -0.31 0.00 -1.94 0.00 0.00 57.00 54.62 1ugj n GLN 132 Cb 0.28 -1.86 0.05 0.00 0.11 0.00 0.00 30.24 28.82 1ugj n GLN 132 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1ugj s SER 133 N -2.02 5.38 0.36 1.08 0.15 -1.26 -4.84 113.70 112.55 1ugj s SER 133 Ca 0.57 1.57 0.00 0.00 0.70 0.00 0.00 55.95 58.79 1ugj s SER 133 Cb -0.20 -2.45 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 1ugj s SER 133 CO 0.67 -1.44 0.00 1.17 1.20 0.00 0.00 173.24 174.84 1ugj n LYS 134 N -3.12 -3.32 -0.33 5.44 3.00 -1.26 -5.00 118.16 113.57 1ugj n LYS 134 Ca 0.07 2.46 0.00 0.00 -0.00 0.00 0.00 58.31 60.84 1ugj n LYS 134 Cb 0.54 -2.76 0.00 0.00 0.00 0.00 0.00 35.03 32.81 1ugj n LYS 134 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1ugj n LYS 135 N -0.77 -0.90 0.10 1.64 5.02 -1.26 -4.79 118.16 117.18 1ugj n LYS 135 Ca 0.00 0.69 0.00 0.00 -2.02 0.00 0.00 58.31 56.98 1ugj n LYS 135 Cb 0.00 -0.82 0.00 0.00 -0.02 0.00 0.00 35.03 34.19 1ugj n LYS 135 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1ugj n SER 136 N -1.38 -1.73 0.00 4.39 7.64 -1.26 -4.61 113.62 116.66 1ugj n SER 136 Ca 0.00 0.40 0.00 0.00 1.01 0.00 0.00 58.87 60.28 1ugj n SER 136 Cb 0.05 1.86 0.00 0.00 -1.01 0.00 0.00 64.21 65.12 1ugj n SER 136 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ugj n GLY 137 N -1.43 3.29 3.79 0.23 0.00 -1.26 -4.88 105.19 104.93 1ugj n GLY 137 Ca 0.00 -1.89 -0.29 0.00 0.00 0.00 0.00 46.02 43.84 1ugj n GLY 137 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ugj s PRO 138 N -2.56 1.12 0.02 1.61 0.04 -1.26 -5.08 135.00 128.88 1ugj s PRO 138 Ca 0.00 0.28 0.04 0.00 0.04 0.00 0.00 61.00 61.36 1ugj s PRO 138 Cb 0.00 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.69 1ugj s PRO 138 CO 0.00 -2.21 -0.13 -1.12 0.04 0.00 0.00 177.00 173.58 1ugj s SER 139 N -4.04 1.51 -0.07 6.66 0.01 -1.26 -5.15 113.70 111.36 1ugj s SER 139 Ca 0.64 -0.34 -0.11 0.00 1.31 0.00 0.00 55.95 57.45 1ugj s SER 139 Cb -0.15 -0.13 0.02 0.00 0.21 0.00 0.00 66.02 65.98 1ugj s SER 139 CO 0.53 0.08 0.27 -0.94 0.41 0.00 0.00 173.24 173.60 1ugj s SER 140 N -0.74 -0.23 0.00 2.44 1.04 -1.26 -5.33 113.70 109.62 1ugj s SER 140 Ca 0.03 0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.82 1ugj s SER 140 Cb -0.06 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1ugj s SER 140 CO 0.00 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.62