#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugj s SER 2 N 0.00 0.98 0.13 1.61 0.15 -1.26 -5.14 113.70 110.17 1ugj s SER 2 Ca 0.00 0.19 -0.24 0.00 0.70 0.00 0.00 55.95 56.59 1ugj s SER 2 Cb 0.00 0.05 0.07 0.00 -1.71 0.00 0.00 66.02 64.43 1ugj s SER 2 CO 0.00 -0.25 0.73 -0.44 1.20 0.00 0.00 173.24 174.48 1ugj s SER 3 N 2.23 -0.44 0.19 5.45 0.01 -1.26 -5.19 113.70 114.69 1ugj s SER 3 Ca 0.04 -0.12 -0.20 0.00 1.31 0.00 0.00 55.95 56.98 1ugj s SER 3 Cb -0.12 0.55 0.07 0.00 0.21 0.00 0.00 66.02 66.73 1ugj s SER 3 CO -0.04 -0.92 0.98 0.61 0.41 0.00 0.00 173.24 174.28 1ugj n GLY 4 N -0.36 0.65 3.49 3.44 0.00 -1.26 -5.19 105.19 105.95 1ugj n GLY 4 Ca -0.12 -1.15 -0.10 0.00 0.00 0.00 0.00 46.02 44.65 1ugj n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ugj s SER 5 N -3.33 0.08 0.98 1.61 0.01 -1.26 -5.17 113.70 106.62 1ugj s SER 5 Ca 0.22 -1.10 -0.12 0.00 1.31 0.00 0.00 55.95 56.25 1ugj s SER 5 Cb -0.03 0.55 0.18 0.00 0.21 0.00 0.00 66.02 66.93 1ugj s SER 5 CO 0.06 -1.09 1.11 -0.94 0.41 0.00 0.00 173.24 172.78 1ugj s SER 6 N -3.08 2.83 -0.30 2.44 1.04 -1.26 -5.07 113.70 110.31 1ugj s SER 6 Ca 0.27 1.10 0.02 0.00 0.48 0.00 0.00 55.95 57.82 1ugj s SER 6 Cb 0.01 -1.73 0.19 0.00 0.10 0.00 0.00 66.02 64.59 1ugj s SER 6 CO 0.11 -2.99 0.62 -0.83 0.98 0.00 0.00 173.24 171.13 1ugj s GLY 7 N -3.64 -1.11 0.13 7.32 0.00 -1.26 -5.14 107.32 103.62 1ugj s GLY 7 Ca 0.65 1.51 -0.30 0.00 0.00 0.00 0.00 44.72 46.58 1ugj s GLY 7 CO 0.56 3.56 1.14 2.56 0.00 0.00 0.00 173.10 180.92 1ugj s PRO 8 N 2.85 4.52 -0.02 2.90 0.04 -1.26 -5.04 135.00 138.99 1ugj s PRO 8 Ca 0.15 1.74 -0.03 0.00 0.04 0.00 0.00 61.00 62.90 1ugj s PRO 8 Cb -0.12 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.11 1ugj s PRO 8 CO -0.23 -0.07 0.08 1.03 0.04 0.00 0.00 177.00 177.85 1ugj s ARG 9 N 0.24 0.19 -0.05 4.56 0.52 -1.26 -5.15 118.95 118.01 1ugj s ARG 9 Ca 0.53 -0.06 -0.04 0.00 -0.52 0.00 0.00 55.73 55.65 1ugj s ARG 9 Cb -0.29 0.08 0.02 0.00 0.52 0.00 0.00 34.95 35.28 1ugj s ARG 9 CO 0.33 -0.03 0.12 -0.51 0.02 0.00 0.00 175.30 175.22 1ugj s LEU 10 N -0.39 1.30 0.31 2.53 1.43 -1.26 -5.07 118.68 117.53 1ugj s LEU 10 Ca -0.05 0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 53.27 1ugj s LEU 10 Cb -0.03 0.37 -0.01 0.00 0.03 0.00 0.00 46.19 46.55 1ugj s LEU 10 CO 0.00 -0.07 0.41 -0.31 0.23 0.00 0.00 176.35 176.61 1ugj s TYR 11 N 0.41 1.03 -0.28 0.29 2.02 -1.26 -5.18 117.35 114.39 1ugj s TYR 11 Ca -0.03 -1.25 -0.25 0.00 -0.37 0.00 0.00 57.07 55.18 1ugj s TYR 11 Cb -0.04 -0.16 0.11 0.00 -0.40 0.00 0.00 41.96 41.46 1ugj s TYR 11 CO -0.02 -1.02 0.93 0.21 -1.57 0.00 0.00 175.55 174.08 1ugj s LYS 12 N -3.39 0.61 0.02 -0.62 2.47 -1.26 -5.18 119.74 112.39 1ugj s LYS 12 Ca 0.31 0.74 -0.09 0.00 -1.56 0.00 0.00 55.97 55.37 1ugj s LYS 12 Cb 0.01 0.29 0.00 0.00 -1.46 0.00 0.00 37.83 36.67 1ugj s LYS 12 CO 0.18 -0.07 0.18 -1.21 0.16 0.00 0.00 175.35 174.59 1ugj s GLU 13 N 0.34 0.62 0.00 4.03 2.02 -1.26 -5.17 118.70 119.28 1ugj s GLU 13 Ca 0.02 -0.52 0.00 0.00 0.02 0.00 0.00 54.97 54.49 1ugj s GLU 13 Cb -0.05 0.26 0.00 0.00 0.10 0.00 0.00 34.13 34.44 1ugj s GLU 13 CO -0.05 -0.17 0.00 -0.35 0.02 0.00 0.00 175.26 174.72 1ugj n PRO 14 N 0.99 0.76 -1.98 0.39 -0.04 -1.26 -4.91 135.00 128.95 1ugj n PRO 14 Ca -0.20 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.25 1ugj n PRO 14 Cb 0.57 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.03 1ugj n PRO 14 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ugj n SER 15 N -0.48 -3.99 -3.28 3.54 2.88 -1.26 -5.04 113.62 105.99 1ugj n SER 15 Ca 0.00 0.57 -0.06 0.00 -1.33 0.00 0.00 58.87 58.05 1ugj n SER 15 Cb 0.00 -2.73 -0.05 0.00 -0.75 0.00 0.00 64.21 60.68 1ugj n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ugj s ALA 16 N -0.60 -1.45 -0.30 -1.46 0.00 -1.26 -4.87 121.76 111.81 1ugj s ALA 16 Ca -0.02 0.66 0.19 0.00 0.00 0.00 0.00 51.96 52.79 1ugj s ALA 16 Cb 0.00 -2.06 0.47 0.00 0.00 0.00 0.00 23.12 21.53 1ugj s ALA 16 CO 0.31 -1.61 1.06 1.63 0.00 0.00 0.00 175.76 177.16 1ugj n LYS 17 N 5.37 1.39 -1.33 0.00 4.76 -1.26 -5.11 118.16 121.98 1ugj n LYS 17 Ca 0.00 -3.19 0.00 0.00 -2.87 0.00 0.00 58.31 52.25 1ugj n LYS 17 Cb 0.50 -1.26 0.00 0.00 -1.84 0.00 0.00 35.03 32.44 1ugj n LYS 17 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1ugj n SER 18 N -0.37 -7.19 -2.73 4.39 2.88 -1.26 -4.86 113.62 104.48 1ugj n SER 18 Ca 0.06 1.51 -0.19 0.00 -1.33 0.00 0.00 58.87 58.93 1ugj n SER 18 Cb 0.82 -4.10 -0.00 0.00 -0.75 0.00 0.00 64.21 60.17 1ugj n SER 18 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1ugj n ASN 19 N -2.22 2.87 -0.08 -3.46 6.94 -0.76 -4.83 115.26 113.72 1ugj n ASN 19 Ca 0.00 -3.24 -0.22 0.00 -0.02 0.00 0.00 54.58 51.11 1ugj n ASN 19 Cb 0.35 -0.53 -0.12 0.00 -2.36 0.00 0.00 39.78 37.12 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 2.86 0.06 0.00 -3.83 3.64 -1.89 -3.28 116.57 114.13 1ugj h LYS 20 Ca 0.10 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1ugj h LYS 20 Cb 0.96 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1ugj h LYS 20 CO 0.66 1.05 -0.13 0.74 -2.27 0.00 0.00 179.45 179.49 1ugj h PHE 21 N -0.79 0.00 0.00 1.91 -1.00 -1.93 0.13 116.94 115.25 1ugj h PHE 21 Ca -0.35 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.31 1ugj h PHE 21 Cb 1.44 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.98 1ugj h PHE 21 CO 0.10 0.13 -0.56 0.82 -1.61 0.00 0.00 178.31 177.19 1ugj h ILE 22 N 0.00 1.21 0.00 -0.55 2.04 -1.91 -3.13 117.51 115.16 1ugj h ILE 22 Ca -0.00 -2.07 -0.11 0.00 1.00 0.00 0.00 64.86 63.68 1ugj h ILE 22 Cb 0.39 2.18 -0.02 0.00 -0.74 0.00 0.00 36.82 38.63 1ugj h ILE 22 CO 0.02 0.55 -0.62 0.40 0.00 0.00 0.00 178.15 178.50 1ugj h ILE 23 N 0.00 1.20 -1.15 -0.67 1.08 -1.30 -2.91 117.51 113.76 1ugj h ILE 23 Ca -0.01 -2.13 0.44 0.00 -0.39 0.00 0.00 64.86 62.77 1ugj h ILE 23 Cb 1.14 2.50 -0.16 0.00 -3.07 0.00 0.00 36.82 37.22 1ugj h ILE 23 CO 0.07 0.41 0.68 1.41 -0.69 0.00 0.00 178.15 180.03 1ugj n HIS 24 N -4.54 0.94 -0.04 1.37 8.25 0.32 0.11 115.22 121.63 1ugj n HIS 24 Ca -0.20 0.95 -0.12 0.00 -0.26 0.00 0.00 57.72 58.09 1ugj n HIS 24 Cb 0.54 -1.36 -0.11 0.00 1.12 0.00 0.00 29.99 30.18 1ugj n HIS 24 CO 0.00 0.00 0.00 -0.91 0.64 0.00 0.00 176.34 176.07 1ugj h ASN 25 N 0.00 -0.02 -1.41 0.41 2.35 -1.66 -3.09 115.58 112.16 1ugj h ASN 25 Ca 0.85 -0.75 0.47 0.00 -0.55 0.00 0.00 56.30 56.31 1ugj h ASN 25 Cb 2.47 0.01 -0.13 0.00 0.05 0.00 0.00 38.32 40.71 1ugj h ASN 25 CO -0.62 0.80 0.92 0.00 -1.65 0.00 0.00 177.43 176.88 1ugj h ALA 26 N -0.02 2.89 0.01 -0.83 0.00 0.10 1.90 119.26 123.32 1ugj h ALA 26 Ca -0.00 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ugj h ALA 26 Cb 0.77 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1ugj h ALA 26 CO 0.00 -1.54 -0.01 -0.07 0.00 0.00 0.00 179.25 177.63 1ugj h LEU 27 N 0.04 -0.02 0.00 0.00 3.38 -0.99 -2.51 115.31 115.21 1ugj h LEU 27 Ca 0.86 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1ugj h LEU 27 Cb 2.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.56 1ugj h LEU 27 CO -0.40 0.48 0.00 -1.20 0.09 0.00 0.00 178.44 177.41 1ugj n SER 28 N -4.86 0.00 -0.06 -0.43 7.64 0.50 -0.32 113.62 116.09 1ugj n SER 28 Ca -0.08 -0.83 -0.17 0.00 1.01 0.00 0.00 58.87 58.80 1ugj n SER 28 Cb 0.25 -0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.32 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 0.09 0.00 1.43 3.86 0.25 -3.44 115.15 117.35 1ugj h HIS 29 Ca 0.00 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 1ugj h HIS 29 Cb 0.00 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1ugj h HIS 29 CO 0.00 1.19 0.00 0.00 0.86 0.00 0.00 177.93 179.98 1ugj n LEU 32 N -5.49 1.58 -4.70 0.00 4.77 0.08 -3.81 117.00 109.43 1ugj n LEU 32 Ca 0.23 -2.79 -0.36 0.00 -0.03 0.00 0.00 56.01 53.06 1ugj n LEU 32 Cb 0.74 0.25 -0.08 0.00 -2.33 0.00 0.00 43.42 41.99 1ugj n LEU 32 CO -0.08 0.92 -0.14 0.00 -1.33 0.00 0.00 177.39 176.76 1ugj s ALA 33 N -2.49 3.64 0.00 -1.18 0.00 0.56 -4.56 121.76 117.73 1ugj s ALA 33 Ca 0.31 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.56 1ugj s ALA 33 Cb 0.35 -2.28 0.00 0.00 0.00 0.00 0.00 23.12 21.19 1ugj s ALA 33 CO -0.08 0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.10 1ugj n GLY 34 N 3.77 0.14 0.14 0.00 0.00 -1.26 -4.77 105.19 103.21 1ugj n GLY 34 Ca -0.15 -1.78 -0.23 0.00 0.00 0.00 0.00 46.02 43.87 1ugj n GLY 34 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ugj h LYS 35 N 4.96 0.36 -0.05 1.61 -0.00 -1.98 -2.99 116.57 118.47 1ugj h LYS 35 Ca 0.00 -0.62 -0.01 0.00 -0.00 0.00 0.00 60.65 60.02 1ugj h LYS 35 Cb 0.00 0.23 -0.00 0.00 -0.00 0.00 0.00 32.23 32.46 1ugj h LYS 35 CO 0.00 1.30 -0.02 0.28 -0.00 0.00 0.00 179.45 181.00 1ugj h VAL 36 N 0.05 1.05 -0.66 0.07 2.07 -1.98 0.31 116.25 117.17 1ugj h VAL 36 Ca -0.35 -0.22 -0.30 0.00 0.82 0.00 0.00 66.70 66.65 1ugj h VAL 36 Cb 2.05 1.04 -0.18 0.00 -1.52 0.00 0.00 31.29 32.68 1ugj h VAL 36 CO 0.15 0.07 0.27 0.59 0.02 0.00 0.00 177.57 178.67 1ugj n ASN 37 N -4.46 3.50 0.11 0.57 3.02 -1.25 -4.46 115.26 112.29 1ugj n ASN 37 Ca -0.02 -3.55 -0.23 0.00 -0.03 0.00 0.00 54.58 50.75 1ugj n ASN 37 Cb 0.14 -0.73 -0.14 0.00 -0.61 0.00 0.00 39.78 38.44 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 1.38 0.55 0.07 3.52 4.81 -0.77 -2.23 114.58 121.90 1ugj h GLU 38 Ca 0.37 -0.82 -0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1ugj h GLU 38 Cb 2.22 0.29 0.00 0.00 0.63 0.00 0.00 28.75 31.89 1ugj h GLU 38 CO 0.71 1.38 -0.03 -1.00 -0.73 0.00 0.00 179.01 179.34 1ugj h PRO 39 N 0.12 -0.09 0.48 0.92 0.13 -1.78 -3.16 132.00 128.62 1ugj h PRO 39 Ca -0.21 0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.91 1ugj h PRO 39 Cb 1.96 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 33.10 1ugj h PRO 39 CO 0.24 0.49 -0.34 0.37 -0.23 0.00 0.00 178.00 178.53 1ugj h GLN 40 N -0.84 -0.77 -0.89 0.86 4.15 -1.83 -2.33 115.11 113.46 1ugj h GLN 40 Ca -0.01 0.05 0.09 0.00 0.77 0.00 0.00 58.65 59.55 1ugj h GLN 40 Cb 0.62 0.17 -0.11 0.00 0.21 0.00 0.00 27.48 28.37 1ugj h GLN 40 CO 0.02 -0.51 -0.50 1.17 -1.93 0.00 0.00 178.83 177.08 1ugj n LYS 41 N -5.47 -0.36 -0.23 1.69 4.81 -0.84 0.20 118.16 117.96 1ugj n LYS 41 Ca -0.11 1.34 0.04 0.00 -0.87 0.00 0.00 58.31 58.71 1ugj n LYS 41 Cb 0.36 -1.97 0.15 0.00 0.02 0.00 0.00 35.03 33.58 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 -0.18 0.08 3.14 2.35 -1.47 1.24 115.58 120.75 1ugj h ASN 42 Ca 0.17 0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 56.06 1ugj h ASN 42 Cb 0.39 0.26 -0.00 0.00 0.05 0.00 0.00 38.32 39.01 1ugj h ASN 42 CO -0.84 -0.10 -0.06 0.03 -1.65 0.00 0.00 177.43 174.81 1ugj h ARG 43 N 0.17 0.00 0.14 0.81 2.47 0.27 0.52 114.38 118.77 1ugj h ARG 43 Ca 0.38 0.00 -0.28 0.00 -1.26 0.00 0.00 59.98 58.82 1ugj h ARG 43 Cb 0.64 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.97 1ugj h ARG 43 CO -0.55 0.06 -1.26 0.82 0.56 0.00 0.00 179.97 179.60 1ugj h ILE 44 N 0.00 1.48 -0.16 2.04 1.08 0.60 -1.04 117.51 121.51 1ugj h ILE 44 Ca -0.00 -3.03 -0.10 0.00 -0.39 0.00 0.00 64.86 61.34 1ugj h ILE 44 Cb 0.12 2.95 0.00 0.00 -3.07 0.00 0.00 36.82 36.83 1ugj h ILE 44 CO 0.01 0.89 -0.30 -0.07 -0.69 0.00 0.00 178.15 177.99 1ugj h LEU 45 N 0.08 0.55 -0.25 1.44 3.38 0.17 -1.33 115.31 119.35 1ugj h LEU 45 Ca -0.15 -0.54 -0.05 0.00 0.09 0.00 0.00 57.88 57.24 1ugj h LEU 45 Cb 1.99 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.57 1ugj h LEU 45 CO 0.21 0.99 -0.02 1.05 0.09 0.00 0.00 178.44 180.76 1ugj h GLU 46 N 0.13 0.46 0.02 1.13 4.11 -0.10 -1.40 114.58 118.93 1ugj h GLU 46 Ca 0.01 -0.16 0.02 0.00 0.07 0.00 0.00 59.36 59.30 1ugj h GLU 46 Cb 0.89 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 1ugj h GLU 46 CO 0.07 0.65 -0.12 0.93 0.07 0.00 0.00 179.01 180.60 1ugj h GLU 47 N 0.22 -0.21 -0.57 1.06 4.39 -1.21 0.98 114.58 119.24 1ugj h GLU 47 Ca 0.07 0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.86 1ugj h GLU 47 Cb 0.46 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 29.09 1ugj h GLU 47 CO 0.02 -0.14 0.24 0.82 -1.16 0.00 0.00 179.01 178.79 1ugj h ILE 48 N -0.22 0.85 -0.33 3.13 2.04 -1.20 1.58 117.51 123.35 1ugj h ILE 48 Ca 0.04 -0.15 -0.08 0.00 1.00 0.00 0.00 64.86 65.66 1ugj h ILE 48 Cb 0.26 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 1ugj h ILE 48 CO -0.11 0.08 -0.15 -0.33 0.00 0.00 0.00 178.15 177.65 1ugj h GLU 49 N 0.45 0.59 0.00 2.37 5.08 -0.59 -1.87 114.58 120.61 1ugj h GLU 49 Ca 0.27 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1ugj h GLU 49 Cb 0.27 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1ugj h GLU 49 CO -0.24 0.72 -0.06 1.57 -1.00 0.00 0.00 179.01 180.00 1ugj h LYS 50 N 0.54 0.00 -6.97 2.33 2.10 0.28 -3.45 116.57 111.40 1ugj h LYS 50 Ca 0.09 0.00 -0.47 0.00 -2.00 0.00 0.00 60.65 58.28 1ugj h LYS 50 Cb 0.56 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.89 1ugj h LYS 50 CO 0.04 0.06 0.37 0.45 -2.00 0.00 0.00 179.45 178.37 1ugj s SER 51 N -6.14 6.98 -0.29 7.07 0.15 0.52 -4.94 113.70 117.04 1ugj s SER 51 Ca 0.05 1.88 0.10 0.00 0.70 0.00 0.00 55.95 58.68 1ugj s SER 51 Cb 0.06 -2.57 0.75 0.00 -1.71 0.00 0.00 66.02 62.55 1ugj s SER 51 CO 0.65 -0.33 1.76 0.29 1.20 0.00 0.00 173.24 176.82 1ugj n LYS 52 N -0.05 3.97 -4.22 5.44 4.76 -1.26 -4.91 118.16 121.88 1ugj n LYS 52 Ca 0.05 -3.00 -0.33 0.00 -2.87 0.00 0.00 58.31 52.16 1ugj n LYS 52 Cb 0.51 -2.21 -0.08 0.00 -1.84 0.00 0.00 35.03 31.41 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 -2.85 3.41 -0.93 7.82 0.00 -1.26 -4.99 121.76 122.96 1ugj s ALA 53 Ca 0.53 -0.87 0.13 0.00 0.00 0.00 0.00 51.96 51.75 1ugj s ALA 53 Cb 0.42 -1.48 -0.07 0.00 0.00 0.00 0.00 23.12 21.99 1ugj s ALA 53 CO 0.14 0.65 0.65 0.27 0.00 0.00 0.00 175.76 177.47 1ugj n ASN 54 N 1.53 1.05 -4.16 0.00 0.23 -1.26 -4.84 115.26 107.81 1ugj n ASN 54 Ca -0.15 -1.02 -0.36 0.00 -0.53 0.00 0.00 54.58 52.51 1ugj n ASN 54 Cb 0.53 0.71 -0.12 0.00 -2.08 0.00 0.00 39.78 38.82 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 -1.90 3.47 0.39 -2.53 2.46 -1.26 -1.83 115.29 114.09 1ugj s HIS 55 Ca 0.08 -2.15 0.08 0.00 0.47 0.00 0.00 55.06 53.54 1ugj s HIS 55 Cb 0.10 -2.89 -0.04 0.00 -0.13 0.00 0.00 32.58 29.61 1ugj s HIS 55 CO 0.42 -0.91 0.19 -0.06 -2.47 0.00 0.00 174.74 171.91 1ugj s PHE 56 N 1.21 2.65 0.06 3.88 0.40 -1.26 0.18 117.98 125.10 1ugj s PHE 56 Ca 0.04 -0.50 -0.18 0.00 -0.60 0.00 0.00 56.93 55.69 1ugj s PHE 56 Cb -0.22 -1.88 0.04 0.00 0.51 0.00 0.00 43.02 41.47 1ugj s PHE 56 CO -0.02 0.20 0.41 -0.51 0.70 0.00 0.00 175.22 175.99 1ugj s LEU 57 N -3.91 0.39 -0.38 -0.37 1.02 -0.77 -4.73 118.68 109.93 1ugj s LEU 57 Ca 0.41 -0.06 -0.06 0.00 0.02 0.00 0.00 54.13 54.44 1ugj s LEU 57 Cb 0.01 1.77 0.07 0.00 0.02 0.00 0.00 46.19 48.05 1ugj s LEU 57 CO 0.23 -0.70 0.17 -0.63 0.02 0.00 0.00 176.35 175.44 1ugj s ILE 58 N -2.74 3.72 -0.14 -0.59 1.01 -1.26 -2.09 121.20 119.11 1ugj s ILE 58 Ca -0.04 -1.46 -0.29 0.00 0.00 0.00 0.00 60.65 58.86 1ugj s ILE 58 Cb -0.00 -3.27 -0.03 0.00 0.01 0.00 0.00 42.46 39.17 1ugj s ILE 58 CO -0.04 -0.39 1.46 -0.22 0.00 0.00 0.00 174.94 175.74 1ugj s LEU 59 N 1.33 4.17 0.00 2.97 2.96 -0.20 -3.53 118.68 126.39 1ugj s LEU 59 Ca 0.02 1.84 0.02 0.00 -0.22 0.00 0.00 54.13 55.79 1ugj s LEU 59 Cb -0.21 -3.54 0.09 0.00 0.50 0.00 0.00 46.19 43.03 1ugj s LEU 59 CO 0.01 -0.91 0.65 0.49 -1.32 0.00 0.00 176.35 175.26 1ugj n PHE 60 N 7.13 -2.87 -1.34 5.38 3.72 -1.18 0.19 117.46 128.49 1ugj n PHE 60 Ca 0.16 -1.32 -0.14 0.00 -0.05 0.00 0.00 57.45 56.10 1ugj n PHE 60 Cb 0.44 -0.46 0.19 0.00 -0.94 0.00 0.00 39.48 38.71 1ugj n PHE 60 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1ugj n ARG 61 N -2.14 2.07 -1.55 -1.08 0.00 -1.25 -4.72 116.66 107.99 1ugj n ARG 61 Ca 0.11 -3.10 0.00 0.00 -0.00 0.00 0.00 57.85 54.86 1ugj n ARG 61 Cb 0.41 -2.00 0.00 0.00 0.00 0.00 0.00 32.46 30.87 1ugj n ARG 61 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1ugj n ASP 62 N -1.12 -5.50 -3.16 6.15 9.92 -1.26 -4.80 116.55 116.77 1ugj n ASP 62 Ca 0.46 0.83 -0.00 0.00 -0.53 0.00 0.00 54.79 55.55 1ugj n ASP 62 Cb 1.36 -2.97 -0.00 0.00 -0.64 0.00 0.00 41.12 38.87 1ugj n ASP 62 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1ugj n SER 63 N 0.87 -6.70 0.00 -2.24 2.88 -1.26 -4.85 113.62 102.32 1ugj n SER 63 Ca 0.00 0.49 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 1ugj n SER 63 Cb 0.00 -1.67 0.00 0.00 -0.75 0.00 0.00 64.21 61.79 1ugj n SER 63 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ugj n SER 64 N 1.41 0.00 -0.64 -3.46 2.88 -1.26 -5.01 113.62 107.54 1ugj n SER 64 Ca -0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 1ugj n SER 64 Cb 0.44 0.06 0.01 0.00 -0.75 0.00 0.00 64.21 63.96 1ugj n SER 64 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ugj s GLN 66 N -4.85 1.40 0.06 0.00 -0.21 -1.26 -4.81 119.66 110.00 1ugj s GLN 66 Ca 0.04 -1.83 -0.33 0.00 0.02 0.00 0.00 55.36 53.27 1ugj s GLN 66 Cb -0.02 -3.02 -0.17 0.00 1.00 0.00 0.00 33.01 30.80 1ugj s GLN 66 CO 0.05 -0.97 0.81 0.34 -2.12 0.00 0.00 175.29 173.40 1ugj n PHE 67 N 4.23 0.23 -0.03 0.91 -0.00 -1.25 -3.89 117.46 117.66 1ugj n PHE 67 Ca 0.03 0.94 -0.03 0.00 -0.00 0.00 0.00 57.45 58.39 1ugj n PHE 67 Cb 0.41 -1.87 -0.04 0.00 -0.00 0.00 0.00 39.48 37.98 1ugj n PHE 67 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1ugj n ARG 68 N 1.22 2.56 -3.63 -4.13 5.12 0.51 -4.94 116.66 113.36 1ugj n ARG 68 Ca 0.18 0.01 -0.04 0.00 -1.93 0.00 0.00 57.85 56.06 1ugj n ARG 68 Cb 0.13 -1.13 -0.05 0.00 -1.16 0.00 0.00 32.46 30.24 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 -2.13 -2.11 0.03 7.54 0.00 -1.13 -3.98 121.76 119.99 1ugj s ALA 69 Ca -0.04 1.78 -0.14 0.00 0.00 0.00 0.00 51.96 53.57 1ugj s ALA 69 Cb 0.02 -1.46 -0.06 0.00 0.00 0.00 0.00 23.12 21.62 1ugj s ALA 69 CO 0.20 -0.21 0.42 -1.17 0.00 0.00 0.00 175.76 175.01 1ugj s LEU 70 N -0.64 4.44 0.26 0.00 1.98 -0.60 -1.03 118.68 123.08 1ugj s LEU 70 Ca 0.06 0.94 0.02 0.00 -2.89 0.00 0.00 54.13 52.26 1ugj s LEU 70 Cb -0.02 -2.75 -0.04 0.00 0.66 0.00 0.00 46.19 44.04 1ugj s LEU 70 CO -0.08 0.27 0.15 -0.31 -1.89 0.00 0.00 176.35 174.48 1ugj s TYR 71 N -1.19 1.44 -0.05 5.38 1.51 -0.89 -2.45 117.35 121.11 1ugj s TYR 71 Ca 0.27 -1.36 0.03 0.00 -1.01 0.00 0.00 57.07 55.00 1ugj s TYR 71 Cb -0.16 -0.75 0.01 0.00 -0.11 0.00 0.00 41.96 40.95 1ugj s TYR 71 CO 0.15 -0.55 -0.12 0.95 -1.11 0.00 0.00 175.55 174.86 1ugj s THR 72 N -3.82 1.10 0.02 -0.71 -4.23 -0.22 -1.85 115.64 105.92 1ugj s THR 72 Ca 0.38 -0.50 -0.22 0.00 -1.18 0.00 0.00 61.69 60.17 1ugj s THR 72 Cb 0.06 -0.98 -0.06 0.00 1.34 0.00 0.00 72.50 72.87 1ugj s THR 72 CO 0.16 0.34 0.64 -0.22 -0.54 0.00 0.00 174.62 174.99 1ugj s LEU 73 N 0.37 4.44 -0.41 4.79 2.96 0.47 0.62 118.68 131.92 1ugj s LEU 73 Ca -0.08 1.26 -0.24 0.00 -0.22 0.00 0.00 54.13 54.84 1ugj s LEU 73 Cb -0.13 -3.01 0.02 0.00 0.50 0.00 0.00 46.19 43.57 1ugj s LEU 73 CO 0.02 0.10 0.85 -0.55 -1.32 0.00 0.00 176.35 175.46 1ugj s SER 74 N -0.29 6.54 0.65 3.68 0.15 -0.60 -4.46 113.70 119.37 1ugj s SER 74 Ca 0.33 0.25 0.43 0.00 0.70 0.00 0.00 55.95 57.65 1ugj s SER 74 Cb -0.19 -2.42 2.30 0.00 -1.71 0.00 0.00 66.02 63.99 1ugj s SER 74 CO 0.19 -0.88 2.33 1.23 1.20 0.00 0.00 173.24 177.31 1ugj h GLY 75 N 10.11 0.00 2.00 9.45 0.00 -1.96 0.21 103.07 122.88 1ugj h GLY 75 Ca -0.24 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.94 1ugj h GLY 75 CO 0.97 0.00 -0.72 1.05 0.00 0.00 0.00 176.54 177.84 1ugj h GLU 76 N 0.00 0.00 0.00 4.80 4.11 -1.96 -3.47 114.58 118.07 1ugj h GLU 76 Ca -0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1ugj h GLU 76 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1ugj h GLU 76 CO 0.00 0.72 0.00 0.25 0.07 0.00 0.00 179.01 180.05 1ugj n THR 77 N -3.68 0.00 0.00 -1.06 -2.24 0.06 -5.06 114.28 102.30 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 0.70 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.93 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 4.85 -1.86 -0.78 1.02 -1.25 -4.63 120.64 117.99 1ugj n GLU 78 Ca 0.00 -0.13 -0.31 0.00 -0.02 0.00 0.00 57.16 56.70 1ugj n GLU 78 Cb 0.00 -0.64 0.03 0.00 -0.02 0.00 0.00 31.44 30.81 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 -0.74 3.27 0.25 3.49 8.01 -1.26 -4.27 118.70 127.45 1ugj s GLU 79 Ca 0.00 0.64 0.03 0.00 0.01 0.00 0.00 54.97 55.65 1ugj s GLU 79 Cb 0.00 -2.05 0.03 0.00 -4.31 0.00 0.00 34.13 27.80 1ugj s GLU 79 CO 0.00 -0.78 0.26 1.28 0.01 0.00 0.00 175.26 176.03 1ugj n LEU 80 N -2.87 0.00 -3.74 1.80 4.77 0.24 -1.55 117.00 115.65 1ugj n LEU 80 Ca 0.06 -1.17 -0.12 0.00 -0.03 0.00 0.00 56.01 54.75 1ugj n LEU 80 Cb 0.55 -0.10 -0.12 0.00 -2.33 0.00 0.00 43.42 41.42 1ugj n LEU 80 CO 0.58 -0.49 -0.07 -0.55 -1.33 0.00 0.00 177.39 175.52 1ugj s SER 81 N -2.48 -0.32 -0.22 -1.43 0.15 0.20 -3.91 113.70 105.70 1ugj s SER 81 Ca 0.20 0.60 -0.29 0.00 0.70 0.00 0.00 55.95 57.16 1ugj s SER 81 Cb -0.02 0.52 -0.04 0.00 -1.71 0.00 0.00 66.02 64.78 1ugj s SER 81 CO 0.13 -0.15 1.88 -0.60 1.20 0.00 0.00 173.24 175.70 1ugj s ARG 82 N 0.93 3.52 -0.19 5.44 3.52 0.50 -1.06 118.95 131.61 1ugj s ARG 82 Ca -0.06 1.81 -0.16 0.00 -0.13 0.00 0.00 55.73 57.18 1ugj s ARG 82 Cb -0.07 -4.19 -0.12 0.00 -1.56 0.00 0.00 34.95 29.01 1ugj s ARG 82 CO -0.06 -1.64 -0.04 -0.11 -0.81 0.00 0.00 175.30 172.64 1ugj n LEU 83 N 9.77 1.86 -3.56 -0.88 7.94 -1.12 -4.94 117.00 126.07 1ugj n LEU 83 Ca 0.23 0.48 -0.13 0.00 -1.11 0.00 0.00 56.01 55.48 1ugj n LEU 83 Cb 0.45 -0.90 -0.06 0.00 0.53 0.00 0.00 43.42 43.45 1ugj n LEU 83 CO 0.67 0.00 0.65 0.00 -1.11 0.00 0.00 177.39 177.59 1ugj s ALA 84 N -2.55 -1.88 0.00 1.96 0.00 -1.03 -5.05 121.76 113.22 1ugj s ALA 84 Ca -0.25 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.25 1ugj s ALA 84 Cb 0.05 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.62 1ugj s ALA 84 CO 0.43 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.28 1ugj n GLY 85 N 0.98 0.24 2.77 0.00 0.00 -1.26 -1.56 105.19 106.36 1ugj n GLY 85 Ca -0.13 -1.92 -0.17 0.00 0.00 0.00 0.00 46.02 43.80 1ugj n GLY 85 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ugj s TYR 86 N -0.56 0.19 -5.00 1.61 2.02 -1.26 -5.05 117.35 109.30 1ugj s TYR 86 Ca 0.00 0.08 0.00 0.00 -0.37 0.00 0.00 57.07 56.78 1ugj s TYR 86 Cb 0.00 -0.38 0.00 0.00 -0.40 0.00 0.00 41.96 41.18 1ugj s TYR 86 CO 0.00 -0.14 0.00 0.41 -1.57 0.00 0.00 175.55 174.25 1ugj n GLY 87 N 4.40 -0.42 3.67 0.71 0.00 -1.26 -4.68 105.19 107.61 1ugj n GLY 87 Ca -0.22 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.00 4.28 0.23 1.61 0.04 -1.26 -4.90 135.00 133.00 1ugj s PRO 88 Ca 0.00 1.69 -0.04 0.00 0.04 0.00 0.00 61.00 62.69 1ugj s PRO 88 Cb 0.00 -3.68 0.45 0.00 0.04 0.00 0.00 34.50 31.31 1ugj s PRO 88 CO 0.00 -0.60 1.26 -2.13 0.04 0.00 0.00 177.00 175.57 1ugj n ARG 89 N 6.00 -0.07 -4.59 4.56 0.63 -1.26 -4.46 116.66 117.47 1ugj n ARG 89 Ca 0.13 1.25 -0.27 0.00 -0.92 0.00 0.00 57.85 58.03 1ugj n ARG 89 Cb 0.45 -1.90 -0.11 0.00 0.45 0.00 0.00 32.46 31.36 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 -5.93 1.88 -0.16 5.15 2.01 -1.26 0.19 115.64 117.51 1ugj s THR 90 Ca -0.12 -2.01 -0.08 0.00 0.31 0.00 0.00 61.69 59.80 1ugj s THR 90 Cb 0.22 -2.95 0.06 0.00 0.01 0.00 0.00 72.50 69.85 1ugj s THR 90 CO 0.63 -0.01 0.36 -0.69 -0.69 0.00 0.00 174.62 174.22 1ugj s VAL 91 N -2.80 -0.15 0.30 3.82 1.01 -1.25 -4.94 120.40 116.38 1ugj s VAL 91 Ca 0.35 0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.52 1ugj s VAL 91 Cb 0.09 -0.56 -0.02 0.00 0.00 0.00 0.00 36.38 35.90 1ugj s VAL 91 CO 0.17 0.05 0.43 0.42 0.00 0.00 0.00 175.10 176.18 1ugj s THR 92 N 1.64 4.45 -1.18 3.92 -4.23 -1.26 0.83 115.64 119.80 1ugj s THR 92 Ca -0.07 -1.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.65 1ugj s THR 92 Cb -0.10 -3.55 0.27 0.00 1.34 0.00 0.00 72.50 70.47 1ugj s THR 92 CO -0.12 -0.21 1.72 -0.81 -0.54 0.00 0.00 174.62 174.66 1ugj n PRO 93 N -1.56 0.14 0.16 3.99 -0.04 -1.26 -2.19 135.00 134.23 1ugj n PRO 93 Ca -0.03 0.10 0.12 0.00 -0.04 0.00 0.00 63.50 63.65 1ugj n PRO 93 Cb 0.58 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.64 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 2.89 0.75 0.00 0.55 0.00 -1.94 -3.29 119.26 118.22 1ugj h ALA 94 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 1ugj h ALA 94 Cb 0.31 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1ugj h ALA 94 CO 0.00 0.00 -1.78 -1.33 0.00 0.00 0.00 179.25 176.14 1ugj n MET 95 N -2.83 0.64 -1.81 0.00 2.81 -0.93 -4.91 117.12 110.09 1ugj n MET 95 Ca 0.02 0.14 -0.42 0.00 -1.81 0.00 0.00 57.70 55.64 1ugj n MET 95 Cb 0.53 -1.71 -0.02 0.00 -0.71 0.00 0.00 33.22 31.31 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 -2.80 2.20 -0.20 2.03 0.11 -1.11 0.56 120.40 121.19 1ugj s VAL 96 Ca -0.06 0.15 -0.16 0.00 -2.93 0.00 0.00 61.98 58.99 1ugj s VAL 96 Cb 0.08 -3.10 -0.11 0.00 -1.53 0.00 0.00 36.38 31.73 1ugj s VAL 96 CO 0.83 0.02 -0.09 1.21 -3.33 0.00 0.00 175.10 173.73 1ugj n GLU 97 N 3.11 0.53 -4.17 1.54 2.13 0.50 -4.76 120.64 119.53 1ugj n GLU 97 Ca 0.12 0.46 -0.16 0.00 0.66 0.00 0.00 57.16 58.24 1ugj n GLU 97 Cb 0.37 -1.64 -0.14 0.00 0.27 0.00 0.00 31.44 30.30 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 -4.78 0.34 0.18 8.31 0.00 -1.15 -4.97 107.32 105.24 1ugj s GLY 98 Ca -0.26 -0.36 0.10 0.00 0.00 0.00 0.00 44.72 44.20 1ugj s GLY 98 CO 0.43 -0.34 -0.16 -0.26 0.00 0.00 0.00 173.10 172.78 1ugj s ILE 99 N -0.39 2.83 0.16 0.90 -4.36 -1.26 -1.43 121.20 117.65 1ugj s ILE 99 Ca -0.00 -1.79 -0.03 0.00 -0.26 0.00 0.00 60.65 58.57 1ugj s ILE 99 Cb -0.04 -2.38 -0.03 0.00 1.25 0.00 0.00 42.46 41.26 1ugj s ILE 99 CO -0.00 -0.09 0.14 -0.31 0.24 0.00 0.00 174.94 174.92 1ugj s TYR 100 N -1.64 0.81 0.50 1.37 1.51 0.16 -1.65 117.35 118.41 1ugj s TYR 100 Ca 0.23 -1.14 0.02 0.00 -1.01 0.00 0.00 57.07 55.16 1ugj s TYR 100 Cb -0.09 -0.38 -0.02 0.00 -0.11 0.00 0.00 41.96 41.37 1ugj s TYR 100 CO 0.13 -0.61 0.00 -1.59 -1.11 0.00 0.00 175.55 172.37 1ugj s LYS 101 N -4.05 2.17 -0.21 -0.62 0.00 0.31 0.16 119.74 117.50 1ugj s LYS 101 Ca 0.26 -2.37 0.01 0.00 0.00 0.00 0.00 55.97 53.87 1ugj s LYS 101 Cb 0.06 -1.54 0.04 0.00 0.00 0.00 0.00 37.83 36.39 1ugj s LYS 101 CO 0.04 -0.33 -0.13 -0.47 0.00 0.00 0.00 175.35 174.46 1ugj s TYR 102 N -2.86 2.71 -0.69 1.78 6.14 -1.26 -2.55 117.35 120.62 1ugj s TYR 102 Ca 0.09 -1.77 -0.27 0.00 0.64 0.00 0.00 57.07 55.75 1ugj s TYR 102 Cb 0.03 -1.78 0.02 0.00 0.42 0.00 0.00 41.96 40.65 1ugj s TYR 102 CO 0.05 -0.79 1.36 -0.80 0.64 0.00 0.00 175.55 176.01 1ugj s ASN 103 N 1.30 6.06 0.00 4.32 0.01 0.24 -4.81 114.94 122.06 1ugj s ASN 103 Ca -0.01 -0.24 0.06 0.00 -0.71 0.00 0.00 52.86 51.97 1ugj s ASN 103 Cb -0.16 -2.55 0.21 0.00 0.41 0.00 0.00 41.25 39.15 1ugj s ASN 103 CO -0.09 -1.87 1.16 -1.20 -1.51 0.00 0.00 177.10 173.60 1ugj n SER 104 N 9.77 0.99 -0.03 -1.22 7.64 -1.26 0.06 113.62 129.57 1ugj n SER 104 Ca 0.07 -1.98 -0.04 0.00 1.01 0.00 0.00 58.87 57.93 1ugj n SER 104 Cb 0.49 -0.12 -0.03 0.00 -1.01 0.00 0.00 64.21 63.54 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 0.03 3.61 -0.31 6.43 9.92 -1.26 -4.65 116.55 130.32 1ugj n ASP 105 Ca 0.07 -0.02 0.09 0.00 -0.53 0.00 0.00 54.79 54.39 1ugj n ASP 105 Cb 0.16 0.10 -0.02 0.00 -0.64 0.00 0.00 41.12 40.71 1ugj n ASP 105 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1ugj n ARG 106 N -2.54 1.54 -3.61 -1.24 1.74 -1.22 -4.97 116.66 106.35 1ugj n ARG 106 Ca -0.10 -0.66 -0.24 0.00 -0.77 0.00 0.00 57.85 56.08 1ugj n ARG 106 Cb 0.63 -1.32 0.08 0.00 -1.02 0.00 0.00 32.46 30.82 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 -0.39 -7.93 -2.38 5.56 5.02 0.11 -4.98 118.16 113.17 1ugj n LYS 107 Ca 0.06 0.82 -0.04 0.00 -2.02 0.00 0.00 58.31 57.14 1ugj n LYS 107 Cb 0.35 -5.88 -0.01 0.00 -0.02 0.00 0.00 35.03 29.47 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 -5.00 0.57 -4.54 1.97 1.74 -0.96 -4.96 116.66 105.48 1ugj n ARG 108 Ca 0.01 -0.56 -0.24 0.00 -0.77 0.00 0.00 57.85 56.29 1ugj n ARG 108 Cb 0.56 0.36 -0.14 0.00 -1.02 0.00 0.00 32.46 32.22 1ugj n ARG 108 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1ugj s PHE 109 N -1.95 1.65 0.14 -1.55 0.40 -1.26 0.81 117.98 116.23 1ugj s PHE 109 Ca 0.05 -0.37 0.04 0.00 -0.60 0.00 0.00 56.93 56.04 1ugj s PHE 109 Cb 0.00 -0.98 -0.04 0.00 0.51 0.00 0.00 43.02 42.51 1ugj s PHE 109 CO 0.03 0.08 -0.09 0.99 0.70 0.00 0.00 175.22 176.94 1ugj s THR 110 N -0.84 1.06 0.33 0.64 2.01 -1.06 -4.92 115.64 112.87 1ugj s THR 110 Ca 0.06 -2.04 -0.05 0.00 0.31 0.00 0.00 61.69 59.97 1ugj s THR 110 Cb -0.09 -1.86 -0.05 0.00 0.01 0.00 0.00 72.50 70.51 1ugj s THR 110 CO 0.02 -0.73 0.60 -1.58 -0.69 0.00 0.00 174.62 172.24 1ugj s GLN 111 N -3.78 3.62 -0.07 4.92 0.74 -1.26 0.12 119.66 123.94 1ugj s GLN 111 Ca 0.17 0.03 -0.08 0.00 0.05 0.00 0.00 55.36 55.53 1ugj s GLN 111 Cb 0.03 -2.59 -0.04 0.00 1.10 0.00 0.00 33.01 31.51 1ugj s GLN 111 CO 0.00 0.13 0.20 0.42 -0.55 0.00 0.00 175.29 175.50 1ugj s ILE 112 N -2.22 5.40 -1.40 -2.34 -1.09 -0.66 -4.75 121.20 114.14 1ugj s ILE 112 Ca 0.45 0.27 0.23 0.00 -2.23 0.00 0.00 60.65 59.36 1ugj s ILE 112 Cb -0.10 -3.49 0.38 0.00 -1.58 0.00 0.00 42.46 37.67 1ugj s ILE 112 CO 0.33 0.55 1.74 -0.81 -1.23 0.00 0.00 174.94 175.51 1ugj n PRO 113 N 1.73 0.30 -4.30 2.79 -0.04 -1.26 -4.75 135.00 129.47 1ugj n PRO 113 Ca -0.17 0.08 -0.23 0.00 -0.04 0.00 0.00 63.50 63.13 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 -2.60 3.12 -2.06 0.55 0.00 -1.26 -5.02 121.76 114.50 1ugj s ALA 114 Ca 0.21 -1.64 0.17 0.00 0.00 0.00 0.00 51.96 50.70 1ugj s ALA 114 Cb 0.15 -0.75 0.21 0.00 0.00 0.00 0.00 23.12 22.73 1ugj s ALA 114 CO 0.35 0.29 1.13 1.63 0.00 0.00 0.00 175.76 179.16 1ugj n LYS 115 N -0.78 1.71 -3.50 0.00 5.02 -1.26 -4.59 118.16 114.77 1ugj n LYS 115 Ca -0.07 -1.71 -0.20 0.00 -2.02 0.00 0.00 58.31 54.31 1ugj n LYS 115 Cb 0.59 -1.36 -0.02 0.00 -0.02 0.00 0.00 35.03 34.22 1ugj n LYS 115 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1ugj s THR 116 N -1.37 3.38 1.27 -0.18 2.01 -1.26 -4.89 115.64 114.59 1ugj s THR 116 Ca 0.24 -1.19 -0.18 0.00 0.31 0.00 0.00 61.69 60.88 1ugj s THR 116 Cb 0.16 -3.17 0.31 0.00 0.01 0.00 0.00 72.50 69.81 1ugj s THR 116 CO 0.23 -0.10 1.00 -0.04 -0.69 0.00 0.00 174.62 175.02 1ugj s MET 117 N -4.15 -1.72 0.00 4.92 -1.94 -1.26 -4.99 119.30 110.17 1ugj s MET 117 Ca 0.46 0.40 0.00 0.00 -1.71 0.00 0.00 55.69 54.84 1ugj s MET 117 Cb -0.07 -1.50 0.00 0.00 2.01 0.00 0.00 34.83 35.27 1ugj s MET 117 CO 0.29 -4.14 0.00 0.43 -0.01 0.00 0.00 175.02 171.59 1ugj n SER 118 N -5.15 0.00 0.10 3.03 7.64 -1.26 -4.97 113.62 113.01 1ugj n SER 118 Ca 0.08 0.00 0.07 0.00 1.01 0.00 0.00 58.87 60.03 1ugj n SER 118 Cb 0.58 0.00 0.36 0.00 -1.01 0.00 0.00 64.21 64.14 1ugj n SER 118 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1ugj n MET 119 N -0.63 0.09 -0.64 1.43 0.00 -1.26 -1.03 117.12 115.07 1ugj n MET 119 Ca 0.00 0.56 -0.07 0.00 -0.00 0.00 0.00 57.70 58.19 1ugj n MET 119 Cb 0.00 -1.77 0.15 0.00 0.00 0.00 0.00 33.22 31.60 1ugj n MET 119 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1ugj n SER 120 N -1.95 3.56 -4.41 6.12 7.64 -1.26 -4.86 113.62 118.45 1ugj n SER 120 Ca -0.00 -2.79 -0.29 0.00 1.01 0.00 0.00 58.87 56.80 1ugj n SER 120 Cb 0.04 -0.66 -0.13 0.00 -1.01 0.00 0.00 64.21 62.45 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 -1.96 2.39 0.00 0.44 1.01 -0.20 -4.24 120.40 117.85 1ugj s VAL 121 Ca 0.33 -1.73 0.04 0.00 0.00 0.00 0.00 61.98 60.61 1ugj s VAL 121 Cb 0.27 -2.08 0.06 0.00 0.00 0.00 0.00 36.38 34.63 1ugj s VAL 121 CO 0.07 0.07 0.84 0.47 0.00 0.00 0.00 175.10 176.56 1ugj n ASP 122 N 0.82 0.00 0.00 3.32 9.92 0.43 -4.81 116.55 126.24 1ugj n ASP 122 Ca -0.17 -1.64 0.00 0.00 -0.53 0.00 0.00 54.79 52.45 1ugj n ASP 122 Cb 0.53 -0.08 0.00 0.00 -0.64 0.00 0.00 41.12 40.94 1ugj n ASP 122 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ugj n ALA 123 N 0.07 0.00 -3.41 2.24 0.00 -1.02 -4.27 120.51 114.12 1ugj n ALA 123 Ca -0.03 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.25 1ugj n ALA 123 Cb 0.69 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.07 1ugj n ALA 123 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1ugj s PHE 124 N -1.11 -0.48 -0.10 0.00 -0.71 -1.23 0.40 117.98 114.76 1ugj s PHE 124 Ca 0.00 0.80 0.00 0.00 -1.04 0.00 0.00 56.93 56.69 1ugj s PHE 124 Cb 0.00 0.29 0.02 0.00 -1.21 0.00 0.00 43.02 42.12 1ugj s PHE 124 CO 0.00 -0.53 -0.09 0.95 -1.34 0.00 0.00 175.22 174.21 1ugj s THR 125 N -1.27 1.09 0.75 -4.49 -4.23 -0.52 -3.11 115.64 103.87 1ugj s THR 125 Ca -0.12 -0.37 -0.11 0.00 -1.18 0.00 0.00 61.69 59.92 1ugj s THR 125 Cb -0.02 -1.07 0.04 0.00 1.34 0.00 0.00 72.50 72.79 1ugj s THR 125 CO 0.08 0.37 1.08 0.27 -0.54 0.00 0.00 174.62 175.88 1ugj s ILE 126 N 1.38 3.54 1.01 2.99 -4.36 -1.26 0.19 121.20 124.69 1ugj s ILE 126 Ca -0.01 0.50 -0.19 0.00 -0.26 0.00 0.00 60.65 60.69 1ugj s ILE 126 Cb -0.14 -3.10 0.02 0.00 1.25 0.00 0.00 42.46 40.49 1ugj s ILE 126 CO -0.05 -0.65 -0.39 0.00 0.24 0.00 0.00 174.94 174.09 1ugj n GLN 127 N -3.39 -1.18 -0.04 0.37 6.02 0.19 -4.53 117.38 114.82 1ugj n GLN 127 Ca 0.08 -0.34 -0.19 0.00 -0.01 0.00 0.00 57.00 56.55 1ugj n GLN 127 Cb 0.54 -1.38 -0.14 0.00 1.02 0.00 0.00 30.24 30.28 1ugj n GLN 127 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ugj n GLY 128 N 2.64 -0.57 0.40 1.08 0.00 -1.26 -4.10 105.19 103.38 1ugj n GLY 128 Ca 0.01 -0.23 0.20 0.00 0.00 0.00 0.00 46.02 46.00 1ugj n GLY 128 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1ugj h HIS 129 N 0.04 0.20 0.43 1.61 2.07 -1.92 -0.18 115.15 117.40 1ugj h HIS 129 Ca -0.46 0.01 -0.02 0.00 -2.85 0.00 0.00 60.37 57.05 1ugj h HIS 129 Cb 2.01 -0.06 0.00 0.00 2.57 0.00 0.00 27.41 31.93 1ugj h HIS 129 CO 0.05 0.07 -0.21 -0.07 -3.07 0.00 0.00 177.93 174.70 1ugj h LEU 130 N 0.16 -0.49 -0.27 6.12 3.38 -1.94 -1.60 115.31 120.67 1ugj h LEU 130 Ca 0.34 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.35 1ugj h LEU 130 Cb 1.10 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.93 1ugj h LEU 130 CO -0.05 -0.31 -0.03 -0.50 0.09 0.00 0.00 178.44 177.63 1ugj h TRP 131 N -0.63 -0.07 -3.10 1.13 4.06 -1.26 -3.05 115.95 113.02 1ugj h TRP 131 Ca -0.06 0.02 -0.79 0.00 2.06 0.00 0.00 58.89 60.13 1ugj h TRP 131 Cb 0.47 0.07 -0.29 0.00 -1.00 0.00 0.00 29.16 28.41 1ugj h TRP 131 CO -0.03 -0.08 0.53 0.00 -3.56 0.00 0.00 178.44 175.30 1ugj n GLN 132 N -5.19 3.94 -0.93 0.49 10.64 -0.36 -5.04 117.38 120.92 1ugj n GLN 132 Ca -0.01 -4.53 -0.35 0.00 -1.83 0.00 0.00 57.00 50.28 1ugj n GLN 132 Cb 0.15 -2.50 0.07 0.00 -0.86 0.00 0.00 30.24 27.10 1ugj n GLN 132 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1ugj n SER 133 N 1.79 -4.69 0.00 2.61 2.88 -0.63 -4.66 113.62 110.93 1ugj n SER 133 Ca 0.25 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 58.02 1ugj n SER 133 Cb 0.36 -0.90 0.00 0.00 -0.75 0.00 0.00 64.21 62.91 1ugj n SER 133 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1ugj n LYS 134 N 1.09 0.00 -3.15 -1.46 2.85 -1.26 -5.03 118.16 111.20 1ugj n LYS 134 Ca 0.01 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.31 1ugj n LYS 134 Cb 0.56 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.93 1ugj n LYS 134 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1ugj s LYS 135 N 0.00 0.51 0.00 -1.58 2.20 -1.26 -5.16 119.74 114.46 1ugj s LYS 135 Ca 0.00 0.66 0.07 0.00 -0.36 0.00 0.00 55.97 56.35 1ugj s LYS 135 Cb 0.00 0.34 -0.02 0.00 -1.51 0.00 0.00 37.83 36.64 1ugj s LYS 135 CO 0.00 -0.80 -0.23 0.45 -0.36 0.00 0.00 175.35 174.40 1ugj s SER 136 N 2.86 2.76 -0.07 1.43 0.15 -1.26 -5.04 113.70 114.52 1ugj s SER 136 Ca 0.14 -0.46 -0.09 0.00 0.70 0.00 0.00 55.95 56.24 1ugj s SER 136 Cb -0.11 -0.29 0.02 0.00 -1.71 0.00 0.00 66.02 63.93 1ugj s SER 136 CO -0.23 0.26 0.24 -0.83 1.20 0.00 0.00 173.24 173.89 1ugj s GLY 137 N -0.74 -0.15 -0.05 9.45 0.00 -1.26 -5.08 107.32 109.50 1ugj s GLY 137 Ca 0.09 0.52 -0.07 0.00 0.00 0.00 0.00 44.72 45.25 1ugj s GLY 137 CO -0.00 0.39 0.36 -0.56 0.00 0.00 0.00 173.10 173.29 1ugj h PRO 138 N 5.21 -0.25 -4.36 2.90 0.13 -2.08 -3.50 132.00 130.05 1ugj h PRO 138 Ca -0.27 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1ugj h PRO 138 Cb 1.19 0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 1ugj h PRO 138 CO 0.37 -0.17 -0.98 0.43 -0.23 0.00 0.00 178.00 177.42 1ugj n SER 139 N -4.32 -5.76 0.01 1.44 7.64 -1.26 -5.01 113.62 106.36 1ugj n SER 139 Ca -0.03 1.40 0.00 0.00 1.01 0.00 0.00 58.87 61.25 1ugj n SER 139 Cb 0.10 -4.48 0.00 0.00 -1.01 0.00 0.00 64.21 58.82 1ugj n SER 139 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ugj n SER 140 N 1.47 -0.21 -0.31 6.43 2.88 -1.26 -5.31 113.62 117.32 1ugj n SER 140 Ca -0.12 0.12 0.15 0.00 -1.33 0.00 0.00 58.87 57.70 1ugj n SER 140 Cb 0.18 0.37 0.68 0.00 -0.75 0.00 0.00 64.21 64.69 1ugj n SER 140 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42