#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 -1.17 0.04 1.61 3.41 -1.26 -5.04 113.62 111.21 1ugj n SER 2 Ca 0.00 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 1ugj n SER 2 Cb 0.00 1.27 0.00 0.00 -0.26 0.00 0.00 64.21 65.22 1ugj n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1ugj n SER 3 N -3.41 0.97 0.00 4.04 2.88 -1.26 -5.17 113.62 111.67 1ugj n SER 3 Ca 0.00 0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 1ugj n SER 3 Cb 0.00 -0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 1ugj n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ugj n GLY 4 N 3.43 0.48 1.88 0.46 0.00 -1.26 -5.02 105.19 105.16 1ugj n GLY 4 Ca 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.80 1ugj n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ugj n SER 5 N 0.69 -0.01 -1.54 1.61 2.88 -1.26 -5.16 113.62 110.84 1ugj n SER 5 Ca 0.00 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 1ugj n SER 5 Cb 0.00 0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 1ugj n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ugj n SER 6 N -2.86 -8.32 -3.55 -3.46 7.64 -1.26 -5.08 113.62 96.73 1ugj n SER 6 Ca 0.00 1.47 -0.10 0.00 1.01 0.00 0.00 58.87 61.25 1ugj n SER 6 Cb 0.04 -4.76 -0.04 0.00 -1.01 0.00 0.00 64.21 58.44 1ugj n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ugj s GLY 7 N -4.22 -0.33 0.21 0.23 0.00 -1.26 -5.15 107.32 96.80 1ugj s GLY 7 Ca 0.00 1.68 -0.30 0.00 0.00 0.00 0.00 44.72 46.10 1ugj s GLY 7 CO 0.00 0.78 1.10 2.56 0.00 0.00 0.00 173.10 177.54 1ugj s PRO 8 N -1.82 4.61 0.00 2.90 0.04 -1.26 -5.05 135.00 134.42 1ugj s PRO 8 Ca 0.01 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1ugj s PRO 8 Cb -0.01 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1ugj s PRO 8 CO -0.02 0.12 0.00 0.54 0.04 0.00 0.00 177.00 177.68 1ugj n ARG 9 N 1.98 1.40 -3.85 4.56 3.00 -1.26 -5.14 116.66 117.35 1ugj n ARG 9 Ca 0.01 0.00 -0.12 0.00 -0.01 0.00 0.00 57.85 57.73 1ugj n ARG 9 Cb 0.46 0.00 -0.14 0.00 0.00 0.00 0.00 32.46 32.78 1ugj n ARG 9 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1ugj s LEU 10 N 0.00 1.80 -0.04 0.55 2.96 -1.26 -5.15 118.68 117.53 1ugj s LEU 10 Ca 0.00 0.06 0.05 0.00 -0.22 0.00 0.00 54.13 54.02 1ugj s LEU 10 Cb 0.00 0.09 -0.02 0.00 0.50 0.00 0.00 46.19 46.76 1ugj s LEU 10 CO 0.00 -0.02 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.52 1ugj s TYR 11 N 0.12 2.59 -0.29 5.38 1.51 -1.26 -4.99 117.35 120.41 1ugj s TYR 11 Ca -0.01 -0.26 -0.23 0.00 -1.01 0.00 0.00 57.07 55.56 1ugj s TYR 11 Cb -0.01 -1.59 0.17 0.00 -0.11 0.00 0.00 41.96 40.41 1ugj s TYR 11 CO -0.00 0.10 1.25 -1.59 -1.11 0.00 0.00 175.55 174.20 1ugj s LYS 12 N -0.66 0.21 0.64 -0.62 -2.85 -1.26 -5.15 119.74 110.05 1ugj s LYS 12 Ca 0.10 0.28 -0.17 0.00 -1.00 0.00 0.00 55.97 55.19 1ugj s LYS 12 Cb -0.11 0.09 -0.14 0.00 -2.06 0.00 0.00 37.83 35.61 1ugj s LYS 12 CO 0.00 -0.03 -0.35 0.39 0.10 0.00 0.00 175.35 175.46 1ugj n GLU 13 N 2.24 0.00 -1.54 1.78 1.02 -1.26 -4.92 120.64 117.96 1ugj n GLU 13 Ca -0.13 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.72 1ugj n GLU 13 Cb 0.57 -0.94 0.15 0.00 -0.02 0.00 0.00 31.44 31.19 1ugj n GLU 13 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1ugj s PRO 14 N -1.28 0.93 0.00 3.49 0.04 -1.26 -5.06 135.00 131.86 1ugj s PRO 14 Ca 0.48 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.72 1ugj s PRO 14 Cb -0.36 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1ugj s PRO 14 CO 0.68 -2.32 0.00 0.45 0.04 0.00 0.00 177.00 175.85 1ugj n SER 15 N -3.83 0.00 -4.51 6.66 2.88 -1.26 -5.11 113.62 108.44 1ugj n SER 15 Ca 0.08 0.00 -0.53 0.00 -1.33 0.00 0.00 58.87 57.08 1ugj n SER 15 Cb 0.59 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.98 1ugj n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ugj n ALA 16 N 0.00 0.63 -1.65 -1.46 0.00 -1.26 -4.74 120.51 112.03 1ugj n ALA 16 Ca 0.00 0.11 0.02 0.00 0.00 0.00 0.00 53.44 53.57 1ugj n ALA 16 Cb 0.00 -2.40 0.02 0.00 0.00 0.00 0.00 19.45 17.07 1ugj n ALA 16 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ugj n LYS 17 N 7.25 0.32 0.00 0.00 5.02 -1.26 -5.08 118.16 124.41 1ugj n LYS 17 Ca 0.37 -1.24 0.00 0.00 -2.02 0.00 0.00 58.31 55.43 1ugj n LYS 17 Cb 0.18 -0.69 0.00 0.00 -0.02 0.00 0.00 35.03 34.49 1ugj n LYS 17 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1ugj n SER 18 N -0.27 0.00 -3.44 4.39 2.88 -1.26 -4.94 113.62 110.98 1ugj n SER 18 Ca 0.03 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.17 1ugj n SER 18 Cb 0.65 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.13 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 0.00 7.45 -0.07 -3.46 6.94 -1.25 -4.62 115.26 120.25 1ugj n ASN 19 Ca 0.00 -3.65 -0.12 0.00 -0.02 0.00 0.00 54.58 50.79 1ugj n ASN 19 Cb 0.00 -1.17 -0.11 0.00 -2.36 0.00 0.00 39.78 36.14 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 3.96 0.00 0.00 -3.83 3.64 -1.92 -3.13 116.57 115.29 1ugj h LYS 20 Ca 0.56 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.94 1ugj h LYS 20 Cb 0.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1ugj h LYS 20 CO 1.25 0.84 0.00 0.74 -2.27 0.00 0.00 179.45 180.01 1ugj h PHE 21 N -1.00 0.00 0.00 1.91 0.04 -1.90 0.62 116.94 116.60 1ugj h PHE 21 Ca -0.02 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.66 1ugj h PHE 21 Cb 0.87 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.00 1ugj h PHE 21 CO 0.22 0.00 -0.49 0.82 -0.60 0.00 0.00 178.31 178.26 1ugj h ILE 22 N 0.00 0.66 0.15 -0.55 2.04 -1.90 -3.28 117.51 114.63 1ugj h ILE 22 Ca 0.00 -1.96 -0.30 0.00 1.00 0.00 0.00 64.86 63.61 1ugj h ILE 22 Cb 0.17 2.30 0.01 0.00 -0.74 0.00 0.00 36.82 38.56 1ugj h ILE 22 CO 0.00 0.38 -1.49 0.40 0.00 0.00 0.00 178.15 177.44 1ugj h ILE 23 N 0.00 1.05 -0.99 -0.67 1.08 -0.87 -2.87 117.51 114.24 1ugj h ILE 23 Ca -0.01 -2.46 0.30 0.00 -0.39 0.00 0.00 64.86 62.30 1ugj h ILE 23 Cb 1.32 2.79 -0.15 0.00 -3.07 0.00 0.00 36.82 37.71 1ugj h ILE 23 CO 0.05 0.76 0.53 -0.74 -0.69 0.00 0.00 178.15 178.07 1ugj h HIS 24 N -0.15 0.87 0.07 1.37 2.76 -1.33 1.28 115.15 120.03 1ugj h HIS 24 Ca -0.30 0.04 -0.25 0.00 -2.20 0.00 0.00 60.37 57.65 1ugj h HIS 24 Cb 1.89 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 30.61 1ugj h HIS 24 CO 0.12 -0.15 -1.17 -0.91 -1.30 0.00 0.00 177.93 174.52 1ugj h ASN 25 N 0.34 0.24 -0.72 3.26 2.35 -1.67 -2.89 115.58 116.49 1ugj h ASN 25 Ca 0.70 -0.26 0.01 0.00 -0.55 0.00 0.00 56.30 56.20 1ugj h ASN 25 Cb 1.55 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 39.81 1ugj h ASN 25 CO -0.60 1.21 0.48 0.00 -1.65 0.00 0.00 177.43 176.87 1ugj h ALA 26 N 0.76 1.50 0.02 -0.83 0.00 0.16 1.54 119.26 122.41 1ugj h ALA 26 Ca -0.09 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1ugj h ALA 26 Cb 1.89 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1ugj h ALA 26 CO 0.17 0.46 -0.01 -0.07 0.00 0.00 0.00 179.25 179.79 1ugj h LEU 27 N 0.96 -0.03 0.00 0.00 3.38 -0.15 -2.64 115.31 116.84 1ugj h LEU 27 Ca 0.27 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1ugj h LEU 27 Cb -0.09 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1ugj h LEU 27 CO -0.06 0.51 0.00 -1.20 0.09 0.00 0.00 178.44 177.78 1ugj n SER 28 N -4.85 0.00 -0.05 -0.43 7.64 -0.94 0.19 113.62 115.18 1ugj n SER 28 Ca -0.09 -0.79 -0.18 0.00 1.01 0.00 0.00 58.87 58.83 1ugj n SER 28 Cb 0.27 -0.02 -0.13 0.00 -1.01 0.00 0.00 64.21 63.33 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 0.15 0.00 1.43 3.86 0.24 -3.43 115.15 117.41 1ugj h HIS 29 Ca 0.00 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 1ugj h HIS 29 Cb 0.01 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.48 1ugj h HIS 29 CO 0.00 1.24 0.00 0.00 0.86 0.00 0.00 177.93 180.03 1ugj n LEU 32 N -5.31 0.03 -4.45 0.00 4.77 0.51 -3.80 117.00 108.75 1ugj n LEU 32 Ca 0.34 -4.14 -0.34 0.00 -0.03 0.00 0.00 56.01 51.84 1ugj n LEU 32 Cb 1.16 0.56 -0.13 0.00 -2.33 0.00 0.00 43.42 42.69 1ugj n LEU 32 CO -0.01 1.97 -0.36 0.00 -1.33 0.00 0.00 177.39 177.67 1ugj s ALA 33 N -1.76 2.95 0.00 -1.18 0.00 -0.85 -4.19 121.76 116.74 1ugj s ALA 33 Ca 0.30 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.34 1ugj s ALA 33 Cb 0.38 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.89 1ugj s ALA 33 CO -0.04 0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.15 1ugj n GLY 34 N 3.91 3.92 0.20 0.00 0.00 -1.26 -4.84 105.19 107.12 1ugj n GLY 34 Ca -0.17 -1.59 -0.15 0.00 0.00 0.00 0.00 46.02 44.11 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 0.00 0.61 -0.58 1.61 1.63 -1.99 -2.83 116.57 115.03 1ugj h LYS 35 Ca 0.00 -0.53 0.09 0.00 -0.85 0.00 0.00 60.65 59.36 1ugj h LYS 35 Cb 0.00 0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.72 1ugj h LYS 35 CO 0.00 1.15 0.39 -0.39 -3.45 0.00 0.00 179.45 177.15 1ugj h VAL 36 N 0.40 0.92 -0.81 2.00 -1.51 -2.00 0.25 116.25 115.50 1ugj h VAL 36 Ca -0.06 -0.15 -0.44 0.00 -1.23 0.00 0.00 66.70 64.82 1ugj h VAL 36 Cb 1.42 0.45 -0.25 0.00 -2.13 0.00 0.00 31.29 30.78 1ugj h VAL 36 CO 0.15 0.08 0.43 0.59 -1.23 0.00 0.00 177.57 177.59 1ugj n ASN 37 N -4.47 3.83 0.09 4.19 3.02 -1.13 -4.46 115.26 116.33 1ugj n ASN 37 Ca 0.09 -3.69 -0.22 0.00 -0.03 0.00 0.00 54.58 50.73 1ugj n ASN 37 Cb 0.33 -0.78 -0.14 0.00 -0.61 0.00 0.00 39.78 38.58 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 1.14 0.56 -0.06 3.52 4.81 -0.24 -1.12 114.58 123.18 1ugj h GLU 38 Ca 0.51 -0.79 -0.25 0.00 -0.13 0.00 0.00 59.36 58.71 1ugj h GLU 38 Cb 2.28 0.27 0.02 0.00 0.63 0.00 0.00 28.75 31.95 1ugj h GLU 38 CO 0.95 1.36 -0.93 -1.00 -0.73 0.00 0.00 179.01 178.66 1ugj h PRO 39 N 0.14 0.73 0.37 0.92 0.13 -1.78 -3.19 132.00 129.33 1ugj h PRO 39 Ca -0.19 -0.71 -0.02 0.00 -0.87 0.00 0.00 66.00 64.21 1ugj h PRO 39 Cb 1.89 0.18 0.00 0.00 0.13 0.00 0.00 31.00 33.20 1ugj h PRO 39 CO 0.23 1.30 -0.18 0.37 -0.23 0.00 0.00 178.00 179.49 1ugj h GLN 40 N 0.44 -0.48 -0.64 0.86 4.15 -1.84 -2.72 115.11 114.88 1ugj h GLN 40 Ca -0.10 0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.41 1ugj h GLN 40 Cb 1.58 0.11 -0.08 0.00 0.21 0.00 0.00 27.48 29.30 1ugj h GLN 40 CO 0.19 -0.17 -0.38 1.17 -1.93 0.00 0.00 178.83 177.71 1ugj n LYS 41 N -5.13 -0.28 -0.20 1.69 4.81 -0.42 0.19 118.16 118.81 1ugj n LYS 41 Ca -0.09 1.13 0.01 0.00 -0.87 0.00 0.00 58.31 58.49 1ugj n LYS 41 Cb 0.27 -1.67 0.10 0.00 0.02 0.00 0.00 35.03 33.75 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 -0.24 -0.01 3.14 2.35 -1.63 1.30 115.58 120.49 1ugj h ASN 42 Ca 0.10 0.15 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 1ugj h ASN 42 Cb 0.26 0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.89 1ugj h ASN 42 CO -0.60 -0.10 0.13 0.03 -1.65 0.00 0.00 177.43 175.23 1ugj h ARG 43 N 0.13 0.00 0.07 0.81 2.47 0.24 0.17 114.38 118.27 1ugj h ARG 43 Ca 0.32 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 58.79 1ugj h ARG 43 Cb 0.51 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.81 1ugj h ARG 43 CO -0.51 0.00 -1.31 0.82 0.56 0.00 0.00 179.97 179.53 1ugj h ILE 44 N 0.00 1.02 -0.33 2.04 1.08 0.52 -3.16 117.51 118.68 1ugj h ILE 44 Ca 0.01 -2.32 0.05 0.00 -0.39 0.00 0.00 64.86 62.21 1ugj h ILE 44 Cb 0.26 2.60 -0.05 0.00 -3.07 0.00 0.00 36.82 36.56 1ugj h ILE 44 CO -0.00 0.60 0.03 -0.07 -0.69 0.00 0.00 178.15 178.02 1ugj h LEU 45 N -0.53 -0.06 -0.84 1.44 -0.00 0.83 -0.82 115.31 115.32 1ugj h LEU 45 Ca -0.30 0.07 0.06 0.00 -0.00 0.00 0.00 57.88 57.70 1ugj h LEU 45 Cb 1.59 0.10 -0.06 0.00 -0.00 0.00 0.00 40.66 42.29 1ugj h LEU 45 CO -0.02 0.00 0.52 1.05 -0.00 0.00 0.00 178.44 179.99 1ugj h GLU 46 N 0.14 0.94 -0.34 1.13 4.11 -1.19 -1.00 114.58 118.37 1ugj h GLU 46 Ca 0.16 -0.06 0.04 0.00 0.07 0.00 0.00 59.36 59.58 1ugj h GLU 46 Cb 0.20 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 1ugj h GLU 46 CO -0.24 0.62 0.10 0.93 0.07 0.00 0.00 179.01 180.49 1ugj h GLU 47 N 0.97 0.23 -0.93 1.06 4.39 -1.16 1.62 114.58 120.76 1ugj h GLU 47 Ca 0.36 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 60.06 1ugj h GLU 47 Cb 0.14 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.69 1ugj h GLU 47 CO -0.16 0.15 0.61 0.82 -1.16 0.00 0.00 179.01 179.27 1ugj h ILE 48 N 0.24 1.23 -0.17 3.13 2.04 -0.42 0.46 117.51 124.02 1ugj h ILE 48 Ca 0.15 -0.43 -0.19 0.00 1.00 0.00 0.00 64.86 65.39 1ugj h ILE 48 Cb 0.14 -0.13 0.01 0.00 -0.74 0.00 0.00 36.82 36.10 1ugj h ILE 48 CO -0.17 0.23 -0.65 -0.33 0.00 0.00 0.00 178.15 177.23 1ugj h GLU 49 N 1.25 0.73 0.00 2.37 4.39 0.03 -2.89 114.58 120.45 1ugj h GLU 49 Ca 0.34 -0.57 -0.01 0.00 0.34 0.00 0.00 59.36 59.46 1ugj h GLU 49 Cb -0.13 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1ugj h GLU 49 CO -0.08 1.18 -0.06 1.57 -1.16 0.00 0.00 179.01 180.46 1ugj h LYS 50 N 0.44 0.00 -6.79 2.33 2.10 0.30 -3.43 116.57 111.53 1ugj h LYS 50 Ca -0.03 0.00 -0.50 0.00 -2.00 0.00 0.00 60.65 58.11 1ugj h LYS 50 Cb 1.28 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.62 1ugj h LYS 50 CO 0.14 0.06 0.46 0.45 -2.00 0.00 0.00 179.45 178.56 1ugj s SER 51 N -5.78 7.32 -0.24 7.07 0.15 0.16 -4.92 113.70 117.46 1ugj s SER 51 Ca -0.00 2.21 0.07 0.00 0.70 0.00 0.00 55.95 58.93 1ugj s SER 51 Cb 0.10 -2.62 0.55 0.00 -1.71 0.00 0.00 66.02 62.34 1ugj s SER 51 CO 0.55 -0.11 1.51 0.29 1.20 0.00 0.00 173.24 176.69 1ugj n LYS 52 N 1.33 3.02 -4.46 5.44 4.76 -1.26 -4.88 118.16 122.11 1ugj n LYS 52 Ca -0.01 -2.23 -0.24 0.00 -2.87 0.00 0.00 58.31 52.96 1ugj n LYS 52 Cb 0.45 -1.97 -0.10 0.00 -1.84 0.00 0.00 35.03 31.57 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 -2.32 2.67 -0.08 7.82 0.00 -1.26 -5.01 121.76 123.58 1ugj s ALA 53 Ca 0.40 -1.84 0.12 0.00 0.00 0.00 0.00 51.96 50.64 1ugj s ALA 53 Cb 0.32 -0.25 -0.18 0.00 0.00 0.00 0.00 23.12 23.01 1ugj s ALA 53 CO 0.10 0.28 0.14 0.09 0.00 0.00 0.00 175.76 176.37 1ugj n ASN 54 N -0.52 1.91 -4.71 0.00 3.02 -1.26 -4.95 115.26 108.75 1ugj n ASN 54 Ca -0.06 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.08 1ugj n ASN 54 Cb 0.60 1.13 -0.04 0.00 -0.61 0.00 0.00 39.78 40.86 1ugj n ASN 54 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1ugj s HIS 55 N -2.56 3.59 -0.04 3.10 2.46 -1.26 -3.43 115.29 117.16 1ugj s HIS 55 Ca -0.06 1.39 -0.02 0.00 0.47 0.00 0.00 55.06 56.84 1ugj s HIS 55 Cb 0.06 -2.92 0.02 0.00 -0.13 0.00 0.00 32.58 29.60 1ugj s HIS 55 CO 0.53 0.03 0.08 -0.06 -2.47 0.00 0.00 174.74 172.85 1ugj s PHE 56 N 0.99 -0.08 0.23 3.88 0.08 -1.26 -2.64 117.98 119.19 1ugj s PHE 56 Ca 0.42 0.26 0.10 0.00 0.12 0.00 0.00 56.93 57.83 1ugj s PHE 56 Cb -0.19 -0.04 -0.05 0.00 -0.57 0.00 0.00 43.02 42.17 1ugj s PHE 56 CO 0.21 -0.08 -0.19 -0.51 -0.10 0.00 0.00 175.22 174.55 1ugj s LEU 57 N 0.48 2.54 -0.13 -0.37 1.02 0.50 -4.73 118.68 117.99 1ugj s LEU 57 Ca -0.04 -0.98 -0.03 0.00 0.02 0.00 0.00 54.13 53.10 1ugj s LEU 57 Cb -0.05 -0.96 -0.03 0.00 0.02 0.00 0.00 46.19 45.17 1ugj s LEU 57 CO -0.02 -0.01 -0.01 -0.63 0.02 0.00 0.00 176.35 175.69 1ugj s ILE 58 N -2.46 4.14 -0.24 -0.59 1.01 -1.26 -2.20 121.20 119.61 1ugj s ILE 58 Ca 0.25 -0.29 -0.13 0.00 0.00 0.00 0.00 60.65 60.48 1ugj s ILE 58 Cb -0.04 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 1ugj s ILE 58 CO 0.11 0.54 0.28 -0.22 0.00 0.00 0.00 174.94 175.65 1ugj s LEU 59 N -0.20 4.10 0.56 2.97 2.96 -0.26 -2.44 118.68 126.38 1ugj s LEU 59 Ca 0.05 0.26 0.08 0.00 -0.22 0.00 0.00 54.13 54.30 1ugj s LEU 59 Cb -0.13 -2.30 0.06 0.00 0.50 0.00 0.00 46.19 44.33 1ugj s LEU 59 CO 0.02 -0.04 0.60 -0.36 -1.32 0.00 0.00 176.35 175.26 1ugj s PHE 60 N 1.39 1.50 0.00 5.38 0.08 -1.24 0.19 117.98 125.28 1ugj s PHE 60 Ca 0.13 -0.79 0.10 0.00 0.12 0.00 0.00 56.93 56.49 1ugj s PHE 60 Cb -0.15 -2.06 -0.23 0.00 -0.57 0.00 0.00 43.02 40.01 1ugj s PHE 60 CO 0.07 -0.83 0.83 0.00 -0.10 0.00 0.00 175.22 175.19 1ugj h ARG 61 N 0.45 0.02 0.00 0.44 2.47 -1.94 -3.46 114.38 112.37 1ugj h ARG 61 Ca -0.33 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.35 1ugj h ARG 61 Cb 1.30 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.63 1ugj h ARG 61 CO 0.49 0.68 0.00 -0.25 0.56 0.00 0.00 179.97 181.45 1ugj n ASP 62 N -3.16 0.00 0.00 7.04 9.92 -1.26 -5.04 116.55 124.04 1ugj n ASP 62 Ca -0.13 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.13 1ugj n ASP 62 Cb 1.02 0.38 0.00 0.00 -0.64 0.00 0.00 41.12 41.88 1ugj n ASP 62 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1ugj n SER 63 N -2.40 0.00 -3.46 -2.24 7.64 -1.26 -4.80 113.62 107.09 1ugj n SER 63 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.48 1ugj n SER 63 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1ugj n SER 63 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ugj n SER 64 N -0.39 7.86 0.00 6.43 3.41 -1.26 -4.76 113.62 124.91 1ugj n SER 64 Ca 0.00 -2.90 0.00 0.00 -0.26 0.00 0.00 58.87 55.71 1ugj n SER 64 Cb 0.00 -1.46 0.00 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 s GLN 66 N 4.48 0.43 0.14 0.00 -0.21 -1.26 -5.00 119.66 118.24 1ugj s GLN 66 Ca 0.00 -0.46 -0.26 0.00 0.02 0.00 0.00 55.36 54.66 1ugj s GLN 66 Cb 0.00 -0.28 -0.15 0.00 1.00 0.00 0.00 33.01 33.57 1ugj s GLN 66 CO 0.00 0.06 0.54 0.34 -2.12 0.00 0.00 175.29 174.11 1ugj n PHE 67 N 2.18 -0.24 -0.03 0.91 -0.00 -1.25 -4.33 117.46 114.71 1ugj n PHE 67 Ca -0.18 0.85 -0.03 0.00 -0.00 0.00 0.00 57.45 58.09 1ugj n PHE 67 Cb 0.56 -1.71 -0.03 0.00 -0.00 0.00 0.00 39.48 38.31 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 0.94 0.91 -3.56 -4.13 5.12 0.52 -4.96 116.66 111.50 1ugj n ARG 68 Ca 0.16 0.02 -0.10 0.00 -1.93 0.00 0.00 57.85 56.00 1ugj n ARG 68 Cb 0.19 -1.11 -0.04 0.00 -1.16 0.00 0.00 32.46 30.34 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 -2.10 -1.91 0.27 7.54 0.00 -1.21 -4.45 121.76 119.89 1ugj s ALA 69 Ca -0.06 1.46 -0.02 0.00 0.00 0.00 0.00 51.96 53.33 1ugj s ALA 69 Cb 0.02 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 1ugj s ALA 69 CO 0.13 -0.41 0.49 -1.17 0.00 0.00 0.00 175.76 174.81 1ugj s LEU 70 N -1.46 4.11 0.01 0.00 2.96 -1.17 -1.10 118.68 122.03 1ugj s LEU 70 Ca -0.00 0.55 -0.20 0.00 -0.22 0.00 0.00 54.13 54.26 1ugj s LEU 70 Cb -0.01 -3.35 0.04 0.00 0.50 0.00 0.00 46.19 43.37 1ugj s LEU 70 CO -0.01 -0.16 0.43 -0.31 -1.32 0.00 0.00 176.35 174.99 1ugj s TYR 71 N -2.05 -0.32 -0.13 5.38 1.51 -0.93 -2.76 117.35 118.06 1ugj s TYR 71 Ca 0.41 0.41 -0.00 0.00 -1.01 0.00 0.00 57.07 56.88 1ugj s TYR 71 Cb -0.11 0.22 -0.02 0.00 -0.11 0.00 0.00 41.96 41.95 1ugj s TYR 71 CO 0.31 -0.52 -0.11 0.95 -1.11 0.00 0.00 175.55 175.06 1ugj s THR 72 N -1.88 3.22 0.05 -0.71 -4.23 -0.50 -0.37 115.64 111.21 1ugj s THR 72 Ca -0.09 -0.61 -0.29 0.00 -1.18 0.00 0.00 61.69 59.52 1ugj s THR 72 Cb -0.02 -2.35 -0.04 0.00 1.34 0.00 0.00 72.50 71.42 1ugj s THR 72 CO 0.02 0.53 0.92 -0.22 -0.54 0.00 0.00 174.62 175.33 1ugj s LEU 73 N 0.23 4.43 -0.34 4.79 2.96 -1.08 0.16 118.68 129.83 1ugj s LEU 73 Ca -0.08 1.65 -0.29 0.00 -0.22 0.00 0.00 54.13 55.20 1ugj s LEU 73 Cb -0.15 -3.50 0.02 0.00 0.50 0.00 0.00 46.19 43.06 1ugj s LEU 73 CO 0.05 -0.13 1.13 -0.44 -1.32 0.00 0.00 176.35 175.64 1ugj s SER 74 N 0.44 6.83 0.51 3.68 0.01 0.16 -4.65 113.70 120.68 1ugj s SER 74 Ca 0.47 0.99 0.27 0.00 1.31 0.00 0.00 55.95 58.99 1ugj s SER 74 Cb -0.22 -2.54 1.38 0.00 0.21 0.00 0.00 66.02 64.85 1ugj s SER 74 CO 0.27 -0.98 2.04 1.23 0.41 0.00 0.00 173.24 176.21 1ugj h GLY 75 N 10.44 0.00 1.98 3.44 0.00 -1.94 -1.85 103.07 115.14 1ugj h GLY 75 Ca -0.22 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.02 1ugj h GLY 75 CO 1.05 0.00 -0.39 1.05 0.00 0.00 0.00 176.54 178.24 1ugj h GLU 76 N 0.00 0.03 0.00 4.80 4.11 -1.94 -3.46 114.58 118.11 1ugj h GLU 76 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1ugj h GLU 76 Cb 0.39 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1ugj h GLU 76 CO 0.02 0.42 0.00 0.25 0.07 0.00 0.00 179.01 179.76 1ugj n THR 77 N -4.07 0.00 0.05 -1.06 -2.24 -0.69 -5.06 114.28 101.21 1ugj n THR 77 Ca -0.02 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.77 1ugj n THR 77 Cb 0.43 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 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 1.44 -1.87 -0.78 1.02 -1.25 -4.66 120.64 114.54 1ugj n GLU 78 Ca 0.00 -0.40 -0.31 0.00 -0.02 0.00 0.00 57.16 56.44 1ugj n GLU 78 Cb 0.00 -0.88 0.03 0.00 -0.02 0.00 0.00 31.44 30.57 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 -0.40 3.23 0.08 3.49 8.01 -1.26 -4.46 118.70 127.39 1ugj s GLU 79 Ca 0.01 0.62 0.01 0.00 0.01 0.00 0.00 54.97 55.61 1ugj s GLU 79 Cb 0.01 -2.05 0.01 0.00 -4.31 0.00 0.00 34.13 27.79 1ugj s GLU 79 CO 0.02 -0.81 0.06 1.28 0.01 0.00 0.00 175.26 175.82 1ugj n LEU 80 N -2.88 0.00 -3.75 1.80 4.77 0.19 0.35 117.00 117.48 1ugj n LEU 80 Ca 0.06 -0.44 -0.12 0.00 -0.03 0.00 0.00 56.01 55.48 1ugj n LEU 80 Cb 0.56 -0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.53 1ugj n LEU 80 CO 0.58 -0.28 -0.05 -0.55 -1.33 0.00 0.00 177.39 175.75 1ugj s SER 81 N -1.49 -0.32 -0.58 -1.43 0.15 0.12 -3.77 113.70 106.39 1ugj s SER 81 Ca 0.04 0.61 -0.26 0.00 0.70 0.00 0.00 55.95 57.04 1ugj s SER 81 Cb -0.00 0.56 -0.03 0.00 -1.71 0.00 0.00 66.02 64.84 1ugj s SER 81 CO 0.03 -0.13 1.96 -0.60 1.20 0.00 0.00 173.24 175.70 1ugj s ARG 82 N 0.64 2.55 -0.03 5.44 3.52 0.18 -1.41 118.95 129.84 1ugj s ARG 82 Ca -0.04 0.78 -0.11 0.00 -0.13 0.00 0.00 55.73 56.23 1ugj s ARG 82 Cb -0.05 -4.42 -0.06 0.00 -1.56 0.00 0.00 34.95 28.86 1ugj s ARG 82 CO -0.04 -2.81 0.53 1.25 -0.81 0.00 0.00 175.30 173.42 1ugj h LEU 83 N 16.94 -0.32 -8.27 -0.88 5.85 -1.83 -3.48 115.31 123.31 1ugj h LEU 83 Ca -0.26 0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.31 1ugj h LEU 83 Cb 1.18 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.26 1ugj h LEU 83 CO 1.20 0.00 0.06 0.00 -0.34 0.00 0.00 178.44 179.36 1ugj s ALA 84 N -3.62 0.07 0.00 1.25 0.00 -1.19 -5.04 121.76 113.23 1ugj s ALA 84 Ca -0.06 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.72 1ugj s ALA 84 Cb 0.01 0.90 0.00 0.00 0.00 0.00 0.00 23.12 24.02 1ugj s ALA 84 CO 0.17 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.45 1ugj n GLY 85 N -0.57 1.00 3.18 0.00 0.00 -1.26 -3.03 105.19 104.51 1ugj n GLY 85 Ca -0.04 -0.95 0.04 0.00 0.00 0.00 0.00 46.02 45.07 1ugj n GLY 85 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ugj s TYR 86 N 0.00 -0.09 -0.91 1.61 5.04 -1.26 -5.07 117.35 116.67 1ugj s TYR 86 Ca 0.00 0.14 0.00 0.00 -2.44 0.00 0.00 57.07 54.77 1ugj s TYR 86 Cb 0.00 0.05 0.00 0.00 0.35 0.00 0.00 41.96 42.36 1ugj s TYR 86 CO 0.00 -0.05 0.00 0.41 -1.34 0.00 0.00 175.55 174.57 1ugj n GLY 87 N 4.77 -0.73 3.68 8.97 0.00 -1.26 -4.83 105.19 115.79 1ugj n GLY 87 Ca -0.07 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.36 4.32 0.28 1.61 0.04 -1.26 -4.90 135.00 134.74 1ugj s PRO 88 Ca 0.00 1.70 0.06 0.00 0.04 0.00 0.00 61.00 62.80 1ugj s PRO 88 Cb 0.00 -3.60 0.80 0.00 0.04 0.00 0.00 34.50 31.74 1ugj s PRO 88 CO 0.00 -0.51 1.37 -2.13 0.04 0.00 0.00 177.00 175.77 1ugj n ARG 89 N 5.49 -0.07 -4.33 4.56 0.63 -1.26 -4.37 116.66 117.31 1ugj n ARG 89 Ca 0.12 1.28 -0.17 0.00 -0.92 0.00 0.00 57.85 58.15 1ugj n ARG 89 Cb 0.46 -2.10 -0.10 0.00 0.45 0.00 0.00 32.46 31.17 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 -5.70 0.69 -0.01 5.15 2.01 -1.26 0.51 115.64 117.03 1ugj s THR 90 Ca -0.10 -2.00 -0.02 0.00 0.31 0.00 0.00 61.69 59.88 1ugj s THR 90 Cb 0.27 -2.61 -0.00 0.00 0.01 0.00 0.00 72.50 70.16 1ugj s THR 90 CO 0.68 -0.05 0.04 -0.69 -0.69 0.00 0.00 174.62 173.91 1ugj s VAL 91 N -3.66 0.03 0.31 3.82 1.01 -1.25 -4.93 120.40 115.73 1ugj s VAL 91 Ca 0.36 -0.24 0.10 0.00 0.00 0.00 0.00 61.98 62.20 1ugj s VAL 91 Cb 0.08 -0.15 -0.05 0.00 0.00 0.00 0.00 36.38 36.26 1ugj s VAL 91 CO 0.13 -0.13 -0.03 0.42 0.00 0.00 0.00 175.10 175.48 1ugj s THR 92 N -0.39 2.80 -1.17 3.92 -4.23 -1.26 -0.64 115.64 114.67 1ugj s THR 92 Ca -0.04 -2.05 0.22 0.00 -1.18 0.00 0.00 61.69 58.64 1ugj s THR 92 Cb -0.03 -2.71 0.27 0.00 1.34 0.00 0.00 72.50 71.37 1ugj s THR 92 CO -0.00 -0.28 1.72 -0.81 -0.54 0.00 0.00 174.62 174.71 1ugj n PRO 93 N -0.87 0.13 0.03 3.99 -0.04 -1.26 -2.46 135.00 134.52 1ugj n PRO 93 Ca -0.05 0.10 -0.08 0.00 -0.04 0.00 0.00 63.50 63.44 1ugj n PRO 93 Cb 0.61 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.44 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 2.88 0.50 0.00 0.55 0.00 -1.95 -3.29 119.26 117.95 1ugj h ALA 94 Ca 0.00 -1.11 -0.08 0.00 0.00 0.00 0.00 54.91 53.72 1ugj h ALA 94 Cb 0.31 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1ugj h ALA 94 CO 0.00 1.37 -0.92 0.52 0.00 0.00 0.00 179.25 180.22 1ugj h MET 95 N 0.00 0.00 -6.63 0.00 2.86 -1.89 -3.46 114.93 105.80 1ugj h MET 95 Ca -0.11 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 57.01 1ugj h MET 95 Cb 1.86 0.00 0.06 0.00 0.06 0.00 0.00 31.60 33.57 1ugj h MET 95 CO 0.11 0.21 1.02 0.08 1.06 0.00 0.00 176.91 179.39 1ugj s VAL 96 N -3.10 2.14 -0.24 -2.22 1.01 -1.03 0.12 120.40 117.07 1ugj s VAL 96 Ca 0.01 0.05 -0.12 0.00 0.00 0.00 0.00 61.98 61.91 1ugj s VAL 96 Cb 0.08 -3.03 -0.16 0.00 0.00 0.00 0.00 36.38 33.27 1ugj s VAL 96 CO 0.77 0.00 -0.11 1.21 0.00 0.00 0.00 175.10 176.98 1ugj n GLU 97 N 4.25 0.62 -4.03 2.72 2.13 0.11 -4.75 120.64 121.69 1ugj n GLU 97 Ca 0.16 0.32 -0.08 0.00 0.66 0.00 0.00 57.16 58.22 1ugj n GLU 97 Cb 0.36 -1.59 -0.10 0.00 0.27 0.00 0.00 31.44 30.38 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 -5.55 0.35 -0.02 8.31 0.00 -0.86 -4.95 107.32 104.59 1ugj s GLY 98 Ca -0.34 -0.90 0.01 0.00 0.00 0.00 0.00 44.72 43.49 1ugj s GLY 98 CO 0.57 -0.99 -0.04 -0.26 0.00 0.00 0.00 173.10 172.38 1ugj s ILE 99 N -2.79 0.39 0.34 0.90 -4.36 -1.26 -0.96 121.20 113.45 1ugj s ILE 99 Ca -0.04 -0.11 0.09 0.00 -0.26 0.00 0.00 60.65 60.33 1ugj s ILE 99 Cb -0.00 -0.40 -0.07 0.00 1.25 0.00 0.00 42.46 43.25 1ugj s ILE 99 CO -0.06 0.16 -0.07 -0.31 0.24 0.00 0.00 174.94 174.90 1ugj s TYR 100 N 0.52 2.32 0.14 1.37 1.51 0.39 0.38 117.35 123.98 1ugj s TYR 100 Ca -0.06 -0.56 0.05 0.00 -1.01 0.00 0.00 57.07 55.49 1ugj s TYR 100 Cb -0.09 -1.37 -0.04 0.00 -0.11 0.00 0.00 41.96 40.34 1ugj s TYR 100 CO -0.00 0.50 -0.12 -1.59 -1.11 0.00 0.00 175.55 173.23 1ugj s LYS 101 N -3.65 1.06 -0.31 -0.62 0.00 0.32 -0.06 119.74 116.49 1ugj s LYS 101 Ca 0.32 -1.37 -0.14 0.00 0.00 0.00 0.00 55.97 54.79 1ugj s LYS 101 Cb 0.04 -0.79 -0.03 0.00 0.00 0.00 0.00 37.83 37.05 1ugj s LYS 101 CO 0.16 0.13 0.31 -0.47 0.00 0.00 0.00 175.35 175.48 1ugj s TYR 102 N -2.76 3.22 -0.67 1.78 6.14 -1.26 -0.80 117.35 123.00 1ugj s TYR 102 Ca 0.14 0.10 -0.27 0.00 0.64 0.00 0.00 57.07 57.67 1ugj s TYR 102 Cb -0.01 -2.56 0.01 0.00 0.42 0.00 0.00 41.96 39.83 1ugj s TYR 102 CO 0.02 -0.31 1.45 -0.80 0.64 0.00 0.00 175.55 176.56 1ugj s ASN 103 N 1.71 5.93 0.00 4.32 0.01 0.13 -4.80 114.94 122.24 1ugj s ASN 103 Ca 0.11 -0.10 0.11 0.00 -0.71 0.00 0.00 52.86 52.26 1ugj s ASN 103 Cb -0.16 -2.55 0.48 0.00 0.41 0.00 0.00 41.25 39.43 1ugj s ASN 103 CO 0.11 -1.95 1.33 -1.20 -1.51 0.00 0.00 177.10 173.88 1ugj n SER 104 N 10.27 0.68 -0.04 -1.22 7.64 -1.26 0.76 113.62 130.45 1ugj n SER 104 Ca 0.09 -1.80 -0.05 0.00 1.01 0.00 0.00 58.87 58.12 1ugj n SER 104 Cb 0.50 -0.07 -0.05 0.00 -1.01 0.00 0.00 64.21 63.58 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 -0.22 3.29 -0.19 6.43 8.00 -1.26 -4.63 116.55 127.97 1ugj n ASP 105 Ca 0.09 -0.02 0.07 0.00 0.71 0.00 0.00 54.79 55.63 1ugj n ASP 105 Cb 0.13 0.26 -0.03 0.00 -0.02 0.00 0.00 41.12 41.47 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 -2.51 2.14 -2.91 -1.24 1.74 -1.21 -4.97 116.66 107.69 1ugj n ARG 106 Ca -0.14 -0.45 -0.22 0.00 -0.77 0.00 0.00 57.85 56.27 1ugj n ARG 106 Cb 0.70 -1.17 0.02 0.00 -1.02 0.00 0.00 32.46 30.99 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 -0.61 -4.19 -2.94 5.56 5.02 0.23 -4.96 118.16 116.26 1ugj n LYS 107 Ca 0.05 0.91 -0.11 0.00 -2.02 0.00 0.00 58.31 57.14 1ugj n LYS 107 Cb 0.26 -5.73 -0.03 0.00 -0.02 0.00 0.00 35.03 29.52 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 -3.81 1.08 -4.84 1.97 5.12 -1.05 -4.94 116.66 110.19 1ugj n ARG 108 Ca -0.14 -1.33 -0.33 0.00 -1.93 0.00 0.00 57.85 54.12 1ugj n ARG 108 Cb 0.63 0.58 -0.13 0.00 -1.16 0.00 0.00 32.46 32.38 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 -1.95 2.75 0.18 -1.55 0.40 -1.26 0.17 117.98 116.71 1ugj s PHE 109 Ca 0.05 -0.30 0.08 0.00 -0.60 0.00 0.00 56.93 56.15 1ugj s PHE 109 Cb 0.00 -1.70 -0.04 0.00 0.51 0.00 0.00 43.02 41.78 1ugj s PHE 109 CO 0.03 0.07 -0.16 0.99 0.70 0.00 0.00 175.22 176.86 1ugj s THR 110 N -0.38 1.68 -0.07 0.64 2.01 0.02 -4.93 115.64 114.61 1ugj s THR 110 Ca 0.04 -2.03 -0.03 0.00 0.31 0.00 0.00 61.69 59.99 1ugj s THR 110 Cb -0.12 -1.88 -0.04 0.00 0.01 0.00 0.00 72.50 70.47 1ugj s THR 110 CO 0.02 -0.48 0.06 -1.58 -0.69 0.00 0.00 174.62 171.96 1ugj s GLN 111 N -3.20 3.13 0.04 4.92 0.74 -1.26 0.12 119.66 124.15 1ugj s GLN 111 Ca 0.18 -0.36 -0.21 0.00 0.05 0.00 0.00 55.36 55.02 1ugj s GLN 111 Cb -0.03 -2.92 -0.06 0.00 1.10 0.00 0.00 33.01 31.10 1ugj s GLN 111 CO 0.06 0.71 0.62 0.42 -0.55 0.00 0.00 175.29 176.54 1ugj s ILE 112 N -1.01 4.78 -1.62 -2.34 1.01 0.16 -4.86 121.20 117.32 1ugj s ILE 112 Ca 0.16 1.31 0.23 0.00 0.00 0.00 0.00 60.65 62.36 1ugj s ILE 112 Cb -0.12 -3.95 0.49 0.00 0.01 0.00 0.00 42.46 38.89 1ugj s ILE 112 CO 0.06 0.47 1.76 -0.81 0.00 0.00 0.00 174.94 176.42 1ugj n PRO 113 N 2.26 0.47 -4.04 2.79 -0.04 -1.26 -4.64 135.00 130.54 1ugj n PRO 113 Ca -0.08 0.05 -0.26 0.00 -0.04 0.00 0.00 63.50 63.17 1ugj n PRO 113 Cb 0.51 -1.50 -0.05 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 -2.38 3.68 -1.74 0.55 0.00 -1.26 -5.00 121.76 115.61 1ugj s ALA 114 Ca 0.26 -1.17 0.15 0.00 0.00 0.00 0.00 51.96 51.21 1ugj s ALA 114 Cb 0.16 -1.48 0.23 0.00 0.00 0.00 0.00 23.12 22.02 1ugj s ALA 114 CO 0.32 0.51 1.12 1.63 0.00 0.00 0.00 175.76 179.34 1ugj n LYS 115 N -0.42 1.73 -3.87 0.00 4.01 -1.26 -4.48 118.16 113.87 1ugj n LYS 115 Ca -0.08 -1.72 -0.21 0.00 -0.51 0.00 0.00 58.31 55.79 1ugj n LYS 115 Cb 0.55 -1.33 -0.03 0.00 -0.51 0.00 0.00 35.03 33.70 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 -1.21 3.97 0.78 -0.18 2.01 -1.26 -4.86 115.64 114.88 1ugj s THR 116 Ca 0.23 -1.32 -0.11 0.00 0.31 0.00 0.00 61.69 60.81 1ugj s THR 116 Cb 0.14 -3.31 0.06 0.00 0.01 0.00 0.00 72.50 69.40 1ugj s THR 116 CO 0.21 -0.23 1.10 -0.04 -0.69 0.00 0.00 174.62 174.96 1ugj s MET 117 N -3.97 2.18 0.05 4.92 -1.94 -1.26 -5.00 119.30 114.27 1ugj s MET 117 Ca 0.39 1.23 -0.28 0.00 -1.71 0.00 0.00 55.69 55.32 1ugj s MET 117 Cb -0.07 -1.88 0.09 0.00 2.01 0.00 0.00 34.83 34.98 1ugj s MET 117 CO 0.27 -1.71 1.02 0.45 -0.01 0.00 0.00 175.02 175.04 1ugj s SER 118 N -3.24 -0.20 -0.09 3.03 0.15 -1.26 -5.03 113.70 107.07 1ugj s SER 118 Ca 0.62 -0.21 -0.05 0.00 0.70 0.00 0.00 55.95 57.01 1ugj s SER 118 Cb -0.18 0.37 -0.15 0.00 -1.71 0.00 0.00 66.02 64.34 1ugj s SER 118 CO 0.55 -0.66 3.17 0.80 1.20 0.00 0.00 173.24 178.31 1ugj n MET 119 N -0.38 1.90 -0.85 5.44 1.56 -1.26 -3.17 117.12 120.36 1ugj n MET 119 Ca -0.07 -1.09 -0.05 0.00 -0.27 0.00 0.00 57.70 56.22 1ugj n MET 119 Cb 0.61 -1.85 -0.05 0.00 2.15 0.00 0.00 33.22 34.08 1ugj n MET 119 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 1ugj n SER 120 N 1.99 -0.72 -4.35 6.12 7.64 -1.26 -5.00 113.62 118.04 1ugj n SER 120 Ca 0.37 -1.66 -0.37 0.00 1.01 0.00 0.00 58.87 58.23 1ugj n SER 120 Cb 0.78 0.22 -0.13 0.00 -1.01 0.00 0.00 64.21 64.07 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 0.00 3.87 -0.43 0.44 1.01 -1.19 -4.04 120.40 120.06 1ugj s VAL 121 Ca 0.00 -0.59 0.10 0.00 0.00 0.00 0.00 61.98 61.49 1ugj s VAL 121 Cb 0.00 -2.93 0.26 0.00 0.00 0.00 0.00 36.38 33.71 1ugj s VAL 121 CO 0.00 0.19 1.20 0.47 0.00 0.00 0.00 175.10 176.96 1ugj n ASP 122 N 4.85 2.78 -3.65 3.32 9.92 0.92 -4.72 116.55 129.97 1ugj n ASP 122 Ca -0.15 -2.33 -0.03 0.00 -0.53 0.00 0.00 54.79 51.74 1ugj n ASP 122 Cb 0.49 -0.25 -0.07 0.00 -0.64 0.00 0.00 41.12 40.65 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 -1.58 -2.20 -0.04 2.24 0.00 -1.07 -4.10 121.76 115.01 1ugj s ALA 123 Ca 0.21 1.70 -0.16 0.00 0.00 0.00 0.00 51.96 53.72 1ugj s ALA 123 Cb 0.15 -1.74 0.03 0.00 0.00 0.00 0.00 23.12 21.56 1ugj s ALA 123 CO 0.08 -0.12 0.35 -0.59 0.00 0.00 0.00 175.76 175.49 1ugj s PHE 124 N 0.00 -0.27 -0.24 0.00 -0.71 -1.02 0.15 117.98 115.89 1ugj s PHE 124 Ca 0.07 0.50 0.01 0.00 -1.04 0.00 0.00 56.93 56.47 1ugj s PHE 124 Cb -0.05 0.13 0.06 0.00 -1.21 0.00 0.00 43.02 41.95 1ugj s PHE 124 CO -0.15 -0.37 -0.08 0.95 -1.34 0.00 0.00 175.22 174.24 1ugj s THR 125 N -0.99 1.76 1.30 -4.49 -4.23 -0.13 -3.74 115.64 105.12 1ugj s THR 125 Ca -0.10 -1.32 -0.18 0.00 -1.18 0.00 0.00 61.69 58.91 1ugj s THR 125 Cb -0.04 -1.94 0.33 0.00 1.34 0.00 0.00 72.50 72.19 1ugj s THR 125 CO 0.04 -0.03 0.98 0.27 -0.54 0.00 0.00 174.62 175.34 1ugj s ILE 126 N 1.30 1.59 1.46 2.99 -4.36 -1.26 0.09 121.20 123.00 1ugj s ILE 126 Ca -0.06 0.00 -0.24 0.00 -0.26 0.00 0.00 60.65 60.09 1ugj s ILE 126 Cb -0.19 -2.08 0.38 0.00 1.25 0.00 0.00 42.46 41.82 1ugj s ILE 126 CO -0.06 0.00 0.92 -1.10 0.24 0.00 0.00 174.94 174.93 1ugj s GLN 127 N -4.79 -3.23 -0.20 0.37 -1.52 0.31 -4.24 119.66 106.37 1ugj s GLN 127 Ca 0.69 0.05 0.15 0.00 -1.95 0.00 0.00 55.36 54.30 1ugj s GLN 127 Cb -0.19 -1.35 -0.23 0.00 -0.22 0.00 0.00 33.01 31.02 1ugj s GLN 127 CO 0.61 -5.05 0.03 0.41 -0.25 0.00 0.00 175.29 171.04 1ugj n GLY 128 N 1.48 -0.87 0.32 3.09 0.00 -1.26 -4.22 105.19 103.74 1ugj n GLY 128 Ca 0.14 -0.30 0.21 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 0.00 0.46 1.61 2.07 -1.94 -2.85 115.15 114.51 1ugj h HIS 129 Ca -0.53 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 56.97 1ugj h HIS 129 Cb 2.15 0.00 0.00 0.00 2.57 0.00 0.00 27.41 32.13 1ugj h HIS 129 CO 0.00 0.00 -0.22 -0.07 -3.07 0.00 0.00 177.93 174.57 1ugj h LEU 130 N 0.00 -0.53 -0.02 6.12 4.07 -1.86 -3.28 115.31 119.81 1ugj h LEU 130 Ca 0.00 0.02 0.01 0.00 0.08 0.00 0.00 57.88 57.99 1ugj h LEU 130 Cb 0.12 0.14 -0.02 0.00 1.08 0.00 0.00 40.66 41.98 1ugj h LEU 130 CO 0.00 -0.36 -0.16 -0.50 -1.08 0.00 0.00 178.44 176.34 1ugj h TRP 131 N -0.64 -0.47 -0.41 1.13 4.06 -1.75 -3.36 115.95 114.51 1ugj h TRP 131 Ca -0.06 0.02 -0.36 0.00 2.06 0.00 0.00 58.89 60.54 1ugj h TRP 131 Cb 0.48 0.21 -0.06 0.00 -1.00 0.00 0.00 29.16 28.78 1ugj h TRP 131 CO 0.11 -0.16 1.50 1.04 -3.56 0.00 0.00 178.44 177.37 1ugj n GLN 132 N -3.39 0.32 -1.70 0.49 1.13 -1.12 -4.73 117.38 108.38 1ugj n GLN 132 Ca -0.02 -0.15 -0.65 0.00 -1.94 0.00 0.00 57.00 54.24 1ugj n GLN 132 Cb 0.11 -2.18 -0.10 0.00 0.11 0.00 0.00 30.24 28.19 1ugj n GLN 132 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1ugj n SER 133 N 11.79 1.44 0.15 1.08 2.88 -1.26 -4.56 113.62 125.14 1ugj n SER 133 Ca 0.57 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 59.23 1ugj n SER 133 Cb 0.24 -0.94 0.00 0.00 -0.75 0.00 0.00 64.21 62.76 1ugj n SER 133 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1ugj n LYS 134 N 4.60 0.00 -3.61 -1.46 4.81 -1.26 -5.12 118.16 116.11 1ugj n LYS 134 Ca 0.32 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.75 1ugj n LYS 134 Cb -0.02 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.02 1ugj n LYS 134 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1ugj s LYS 135 N -1.61 0.40 -0.28 1.64 2.20 -1.26 -5.18 119.74 115.65 1ugj s LYS 135 Ca 0.00 -0.19 -0.23 0.00 -0.36 0.00 0.00 55.97 55.18 1ugj s LYS 135 Cb 0.00 0.15 0.09 0.00 -1.51 0.00 0.00 37.83 36.56 1ugj s LYS 135 CO 0.00 -0.18 0.83 -1.12 -0.36 0.00 0.00 175.35 174.52 1ugj s SER 136 N -2.66 -0.66 0.00 1.43 0.01 -1.26 -4.77 113.70 105.80 1ugj s SER 136 Ca 0.12 1.23 0.00 0.00 1.31 0.00 0.00 55.95 58.61 1ugj s SER 136 Cb 0.02 1.25 0.00 0.00 0.21 0.00 0.00 66.02 67.51 1ugj s SER 136 CO -0.04 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.01 1ugj n GLY 137 N 2.81 2.17 3.78 3.44 0.00 -1.26 -5.17 105.19 110.95 1ugj n GLY 137 Ca -0.15 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.00 0.36 -0.03 1.61 0.04 -1.26 -5.05 135.00 128.67 1ugj s PRO 138 Ca 0.00 -0.01 -0.07 0.00 0.04 0.00 0.00 61.00 60.96 1ugj s PRO 138 Cb 0.00 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.74 1ugj s PRO 138 CO 0.00 -2.67 -0.14 0.45 0.04 0.00 0.00 177.00 174.69 1ugj n SER 139 N -4.03 1.29 -4.74 6.66 2.88 -1.26 -5.08 113.62 109.34 1ugj n SER 139 Ca 0.11 0.20 -0.24 0.00 -1.33 0.00 0.00 58.87 57.61 1ugj n SER 139 Cb 0.59 -0.45 -0.07 0.00 -0.75 0.00 0.00 64.21 63.53 1ugj n SER 139 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ugj s SER 140 N -5.97 4.56 0.00 -3.46 0.01 -1.26 -5.32 113.70 102.26 1ugj s SER 140 Ca -0.12 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.23 1ugj s SER 140 Cb 0.03 -0.60 0.00 0.00 0.21 0.00 0.00 66.02 65.65 1ugj s SER 140 CO 0.17 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 174.02