#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 0.05 0.20 1.61 0.15 -1.26 -5.10 113.70 109.35 1ugj s SER 2 Ca 0.00 -1.09 0.00 0.00 0.70 0.00 0.00 55.95 55.56 1ugj s SER 2 Cb 0.00 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 1ugj s SER 2 CO 0.00 -1.08 0.00 -0.24 1.20 0.00 0.00 173.24 173.12 1ugj n SER 3 N -0.44 0.34 0.00 5.45 2.88 -1.26 -5.15 113.62 115.44 1ugj n SER 3 Ca -0.00 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 1ugj n SER 3 Cb 0.63 0.09 0.00 0.00 -0.75 0.00 0.00 64.21 64.18 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 2.36 0.67 1.54 0.46 0.00 -1.26 -5.11 105.19 103.85 1ugj n GLY 4 Ca 0.00 -1.72 0.04 0.00 0.00 0.00 0.00 46.02 44.34 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 -8.32 0.16 1.61 7.64 -1.26 -5.04 113.62 108.40 1ugj n SER 5 Ca 0.00 1.79 0.00 0.00 1.01 0.00 0.00 58.87 61.67 1ugj n SER 5 Cb 0.00 -5.05 0.00 0.00 -1.01 0.00 0.00 64.21 58.15 1ugj n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ugj n SER 6 N -3.00 -2.65 0.00 6.43 7.64 -1.26 -5.17 113.62 115.60 1ugj n SER 6 Ca -0.02 0.59 0.00 0.00 1.01 0.00 0.00 58.87 60.45 1ugj n SER 6 Cb 0.53 2.62 0.00 0.00 -1.01 0.00 0.00 64.21 66.35 1ugj n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ugj n GLY 7 N -1.23 0.37 3.56 0.23 0.00 -1.26 -4.97 105.19 101.89 1ugj n GLY 7 Ca 0.00 -1.64 -0.34 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.13 3.08 0.15 1.61 0.04 -1.26 -4.93 135.00 132.55 1ugj s PRO 8 Ca 0.00 -0.67 0.01 0.00 0.04 0.00 0.00 61.00 60.38 1ugj s PRO 8 Cb 0.00 -5.17 0.01 0.00 0.04 0.00 0.00 34.50 29.38 1ugj s PRO 8 CO 0.00 -2.76 0.07 0.54 0.04 0.00 0.00 177.00 174.89 1ugj n ARG 9 N 8.89 1.42 -0.20 4.56 5.12 -1.26 -5.07 116.66 130.13 1ugj n ARG 9 Ca 0.35 -0.96 0.00 0.00 -1.93 0.00 0.00 57.85 55.31 1ugj n ARG 9 Cb 0.49 0.16 0.00 0.00 -1.16 0.00 0.00 32.46 31.96 1ugj n ARG 9 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1ugj n LEU 10 N 0.00 -1.36 -3.46 0.55 0.00 -1.26 -5.13 117.00 106.34 1ugj n LEU 10 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 56.01 55.86 1ugj n LEU 10 Cb 0.17 -0.11 -0.03 0.00 0.00 0.00 0.00 43.42 43.45 1ugj n LEU 10 CO 0.10 0.00 0.47 -0.47 0.00 0.00 0.00 177.39 177.48 1ugj s TYR 11 N -0.28 -0.53 -0.20 1.96 5.04 -1.26 -5.17 117.35 116.91 1ugj s TYR 11 Ca 0.00 0.49 -0.12 0.00 -2.44 0.00 0.00 57.07 55.00 1ugj s TYR 11 Cb 0.00 0.52 0.06 0.00 0.35 0.00 0.00 41.96 42.90 1ugj s TYR 11 CO 0.00 -0.74 0.50 -1.59 -1.34 0.00 0.00 175.55 172.38 1ugj s LYS 12 N -3.04 0.50 0.42 4.97 -2.85 -1.26 -4.50 119.74 113.97 1ugj s LYS 12 Ca -0.01 0.91 -0.12 0.00 -1.00 0.00 0.00 55.97 55.75 1ugj s LYS 12 Cb -0.01 0.04 -0.07 0.00 -2.06 0.00 0.00 37.83 35.74 1ugj s LYS 12 CO -0.07 -0.15 0.81 -1.21 0.10 0.00 0.00 175.35 174.83 1ugj s GLU 13 N 1.40 3.83 0.00 1.78 2.02 -1.26 -5.05 118.70 121.41 1ugj s GLU 13 Ca -0.09 0.58 0.00 0.00 0.02 0.00 0.00 54.97 55.48 1ugj s GLU 13 Cb -0.07 -2.34 0.00 0.00 0.10 0.00 0.00 34.13 31.81 1ugj s GLU 13 CO -0.14 -0.07 0.00 -0.35 0.02 0.00 0.00 175.26 174.72 1ugj n PRO 14 N -1.28 0.67 -2.13 0.39 -0.04 -1.26 -4.89 135.00 126.46 1ugj n PRO 14 Ca 0.03 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.48 1ugj n PRO 14 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 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 -0.66 -5.04 -4.58 3.54 2.88 -1.26 -4.85 113.62 103.65 1ugj n SER 15 Ca 0.00 0.62 -0.41 0.00 -1.33 0.00 0.00 58.87 57.76 1ugj n SER 15 Cb 0.00 -3.20 -0.03 0.00 -0.75 0.00 0.00 64.21 60.23 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 -1.05 2.51 -0.26 -1.46 0.00 -1.26 -4.74 121.76 115.50 1ugj s ALA 16 Ca 0.03 0.01 0.21 0.00 0.00 0.00 0.00 51.96 52.21 1ugj s ALA 16 Cb -0.01 -4.14 0.48 0.00 0.00 0.00 0.00 23.12 19.45 1ugj s ALA 16 CO 0.39 -3.23 1.19 1.63 0.00 0.00 0.00 175.76 175.74 1ugj n LYS 17 N 8.74 1.56 -2.01 0.00 5.02 -1.26 -5.11 118.16 125.10 1ugj n LYS 17 Ca 0.24 -3.01 -0.38 0.00 -2.02 0.00 0.00 58.31 53.15 1ugj n LYS 17 Cb 0.49 -1.15 0.02 0.00 -0.02 0.00 0.00 35.03 34.37 1ugj n LYS 17 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1ugj s SER 18 N -3.23 5.67 -0.05 4.39 1.04 -1.26 -4.91 113.70 115.35 1ugj s SER 18 Ca 0.24 2.54 0.08 0.00 0.48 0.00 0.00 55.95 59.28 1ugj s SER 18 Cb 0.34 -2.62 0.12 0.00 0.10 0.00 0.00 66.02 63.96 1ugj s SER 18 CO -0.06 -1.28 1.05 -0.46 0.98 0.00 0.00 173.24 173.47 1ugj n ASN 19 N -0.82 2.04 0.00 7.02 6.94 -1.17 -4.75 115.26 124.53 1ugj n ASN 19 Ca 0.09 -2.43 -0.10 0.00 -0.02 0.00 0.00 54.58 52.13 1ugj n ASN 19 Cb 0.47 -0.18 -0.03 0.00 -2.36 0.00 0.00 39.78 37.67 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 0.00 -0.29 0.00 -3.83 3.64 -1.92 0.44 116.57 114.61 1ugj h LYS 20 Ca 0.00 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1ugj h LYS 20 Cb 0.74 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1ugj h LYS 20 CO 0.00 -0.19 -0.00 0.74 -2.27 0.00 0.00 179.45 177.73 1ugj h PHE 21 N -0.30 0.00 0.00 1.91 -1.00 -1.93 0.12 116.94 115.74 1ugj h PHE 21 Ca 0.10 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.69 1ugj h PHE 21 Cb 0.44 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.98 1ugj h PHE 21 CO -0.33 0.00 -1.04 0.82 -1.61 0.00 0.00 178.31 176.16 1ugj h ILE 22 N 0.00 1.24 0.22 -0.55 2.04 -0.78 -3.27 117.51 116.41 1ugj h ILE 22 Ca -0.00 -2.86 -0.33 0.00 1.00 0.00 0.00 64.86 62.66 1ugj h ILE 22 Cb 0.16 2.59 0.03 0.00 -0.74 0.00 0.00 36.82 38.86 1ugj h ILE 22 CO 0.00 0.71 -1.52 0.40 0.00 0.00 0.00 178.15 177.73 1ugj h ILE 23 N 0.00 1.22 -0.97 -0.67 1.08 0.16 -2.82 117.51 115.52 1ugj h ILE 23 Ca -0.07 -2.70 0.22 0.00 -0.39 0.00 0.00 64.86 61.92 1ugj h ILE 23 Cb 1.70 2.97 -0.08 0.00 -3.07 0.00 0.00 36.82 38.33 1ugj h ILE 23 CO 0.10 0.83 0.62 0.45 -0.69 0.00 0.00 178.15 179.46 1ugj h HIS 24 N 0.13 0.70 0.13 1.37 3.86 -0.93 0.37 115.15 120.77 1ugj h HIS 24 Ca -0.26 0.02 -0.29 0.00 -1.16 0.00 0.00 60.37 58.68 1ugj h HIS 24 Cb 2.13 -0.21 0.02 0.00 1.06 0.00 0.00 27.41 30.42 1ugj h HIS 24 CO 0.11 0.15 -1.24 -0.91 0.86 0.00 0.00 177.93 176.90 1ugj h ASN 25 N 0.49 0.72 -0.71 2.45 2.35 -1.61 -2.87 115.58 116.40 1ugj h ASN 25 Ca 0.53 -0.69 0.10 0.00 -0.55 0.00 0.00 56.30 55.69 1ugj h ASN 25 Cb 1.20 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 39.29 1ugj h ASN 25 CO -0.25 1.51 0.47 0.00 -1.65 0.00 0.00 177.43 177.50 1ugj h ALA 26 N 0.41 1.88 0.06 -0.83 0.00 -0.12 1.41 119.26 122.07 1ugj h ALA 26 Ca -0.17 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1ugj h ALA 26 Cb 1.92 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1ugj h ALA 26 CO 0.23 -0.04 -0.03 -0.07 0.00 0.00 0.00 179.25 179.34 1ugj h LEU 27 N 0.58 -0.06 0.00 0.00 3.38 -0.84 -2.13 115.31 116.23 1ugj h LEU 27 Ca 0.33 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1ugj h LEU 27 Cb 0.50 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1ugj h LEU 27 CO -0.11 0.45 0.00 -1.20 0.09 0.00 0.00 178.44 177.67 1ugj n SER 28 N -4.88 0.00 -0.05 -0.43 7.64 -0.62 0.43 113.62 115.70 1ugj n SER 28 Ca -0.09 -0.59 -0.18 0.00 1.01 0.00 0.00 58.87 59.02 1ugj n SER 28 Cb 0.27 -0.06 -0.13 0.00 -1.01 0.00 0.00 64.21 63.27 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 0.13 0.00 1.43 3.86 0.21 -3.44 115.15 117.34 1ugj h HIS 29 Ca 0.00 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 1ugj h HIS 29 Cb 0.05 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.51 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 -5.42 1.35 -4.68 0.00 4.77 -0.13 -3.55 117.00 109.35 1ugj n LEU 32 Ca 0.25 -2.44 -0.35 0.00 -0.03 0.00 0.00 56.01 53.44 1ugj n LEU 32 Cb 0.82 0.06 -0.09 0.00 -2.33 0.00 0.00 43.42 41.88 1ugj n LEU 32 CO -0.04 0.73 -0.21 0.00 -1.33 0.00 0.00 177.39 176.54 1ugj s ALA 33 N -1.19 3.55 0.00 -1.18 0.00 0.17 -4.58 121.76 118.53 1ugj s ALA 33 Ca 0.33 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.57 1ugj s ALA 33 Cb 0.37 -2.05 0.00 0.00 0.00 0.00 0.00 23.12 21.44 1ugj s ALA 33 CO -0.13 0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.20 1ugj n GLY 34 N 3.56 0.04 0.13 0.00 0.00 -1.26 -4.71 105.19 102.95 1ugj n GLY 34 Ca -0.16 -1.64 -0.22 0.00 0.00 0.00 0.00 46.02 44.00 1ugj n GLY 34 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ugj n LYS 35 N -0.02 0.70 0.30 1.61 3.00 -1.26 -3.00 118.16 119.49 1ugj n LYS 35 Ca 0.00 0.32 0.20 0.00 -0.00 0.00 0.00 58.31 58.83 1ugj n LYS 35 Cb 0.00 -1.68 0.95 0.00 0.00 0.00 0.00 35.03 34.29 1ugj n LYS 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1ugj h VAL 36 N -0.23 0.00 -0.23 3.15 2.07 -1.98 0.18 116.25 119.20 1ugj h VAL 36 Ca -0.44 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 66.82 1ugj h VAL 36 Cb 1.84 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 32.77 1ugj h VAL 36 CO -0.03 0.00 -0.02 0.59 0.02 0.00 0.00 177.57 178.13 1ugj n ASN 37 N -3.01 3.28 0.06 0.57 3.02 -1.25 -4.56 115.26 113.37 1ugj n ASN 37 Ca -0.01 -3.21 -0.21 0.00 -0.03 0.00 0.00 54.58 51.12 1ugj n ASN 37 Cb 0.17 -0.55 -0.12 0.00 -0.61 0.00 0.00 39.78 38.67 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 1.30 0.57 -0.04 3.52 4.81 -0.85 0.39 114.58 124.28 1ugj h GLU 38 Ca 0.05 -0.72 -0.23 0.00 -0.13 0.00 0.00 59.36 58.33 1ugj h GLU 38 Cb 1.41 0.23 0.01 0.00 0.63 0.00 0.00 28.75 31.03 1ugj h GLU 38 CO 0.22 1.31 -0.91 -1.00 -0.73 0.00 0.00 179.01 177.90 1ugj h PRO 39 N 0.16 0.57 0.12 0.92 0.13 -1.81 -3.13 132.00 128.96 1ugj h PRO 39 Ca -0.15 -0.56 -0.01 0.00 -0.87 0.00 0.00 66.00 64.41 1ugj h PRO 39 Cb 1.74 0.14 0.00 0.00 0.13 0.00 0.00 31.00 33.02 1ugj h PRO 39 CO 0.20 1.18 -0.06 0.37 -0.23 0.00 0.00 178.00 179.46 1ugj h GLN 40 N 0.35 -0.15 -1.00 0.86 4.15 -1.83 -2.90 115.11 114.59 1ugj h GLN 40 Ca -0.08 0.01 0.22 0.00 0.77 0.00 0.00 58.65 59.57 1ugj h GLN 40 Cb 1.54 0.03 -0.19 0.00 0.21 0.00 0.00 27.48 29.07 1ugj h GLN 40 CO 0.17 0.33 -0.17 -0.22 -1.93 0.00 0.00 178.83 177.01 1ugj h LYS 41 N -0.85 0.00 -0.40 1.69 3.64 -1.03 1.63 116.57 121.25 1ugj h LYS 41 Ca -0.02 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1ugj h LYS 41 Cb 0.55 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 1ugj h LYS 41 CO 0.03 0.00 0.24 -0.91 -2.27 0.00 0.00 179.45 176.53 1ugj h ASN 42 N 0.00 0.38 -0.91 4.20 2.35 -1.59 0.27 115.58 120.28 1ugj h ASN 42 Ca 0.52 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 56.36 1ugj h ASN 42 Cb 0.88 -0.08 -0.07 0.00 0.05 0.00 0.00 38.32 39.10 1ugj h ASN 42 CO -1.00 0.28 0.56 0.03 -1.65 0.00 0.00 177.43 175.65 1ugj h ARG 43 N 0.48 0.91 0.26 0.81 3.08 0.24 0.13 114.38 120.29 1ugj h ARG 43 Ca 0.16 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 1ugj h ARG 43 Cb 0.00 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.85 1ugj h ARG 43 CO -0.07 0.60 -0.12 0.82 -1.07 0.00 0.00 179.97 180.13 1ugj h ILE 44 N 0.94 0.76 -0.74 2.04 1.08 0.35 0.40 117.51 122.34 1ugj h ILE 44 Ca 0.43 -0.72 0.17 0.00 -0.39 0.00 0.00 64.86 64.35 1ugj h ILE 44 Cb 0.34 1.13 -0.13 0.00 -3.07 0.00 0.00 36.82 35.10 1ugj h ILE 44 CO -0.23 0.14 0.05 -0.07 -0.69 0.00 0.00 178.15 177.35 1ugj h LEU 45 N -0.75 -0.26 0.07 1.44 4.07 0.02 1.29 115.31 121.19 1ugj h LEU 45 Ca -0.04 0.18 -0.00 0.00 0.08 0.00 0.00 57.88 58.10 1ugj h LEU 45 Cb 0.50 0.31 0.00 0.00 1.08 0.00 0.00 40.66 42.55 1ugj h LEU 45 CO 0.06 -0.15 -0.03 -0.33 -1.08 0.00 0.00 178.44 176.91 1ugj h GLU 46 N 0.13 -0.09 -0.22 1.13 4.39 -0.69 -1.60 114.58 117.65 1ugj h GLU 46 Ca 0.41 0.01 0.05 0.00 0.34 0.00 0.00 59.36 60.17 1ugj h GLU 46 Cb 0.73 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.34 1ugj h GLU 46 CO -0.63 0.29 -0.16 0.93 -1.16 0.00 0.00 179.01 178.29 1ugj h GLU 47 N -0.48 -0.15 -0.46 2.33 4.39 0.15 1.55 114.58 121.91 1ugj h GLU 47 Ca -0.01 0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.77 1ugj h GLU 47 Cb 0.42 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 29.04 1ugj h GLU 47 CO 0.02 -0.10 0.11 0.82 -1.16 0.00 0.00 179.01 178.70 1ugj h ILE 48 N -0.15 0.78 -0.56 3.13 2.04 0.16 1.49 117.51 124.40 1ugj h ILE 48 Ca 0.13 -0.09 -0.09 0.00 1.00 0.00 0.00 64.86 65.81 1ugj h ILE 48 Cb 0.34 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1ugj h ILE 48 CO -0.31 0.05 -0.02 -0.33 0.00 0.00 0.00 178.15 177.54 1ugj h GLU 49 N 0.26 0.97 0.00 2.37 5.08 -0.21 -2.15 114.58 120.90 1ugj h GLU 49 Ca 0.22 -0.30 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 1ugj h GLU 49 Cb 0.27 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1ugj h GLU 49 CO -0.28 0.97 -0.32 1.57 -1.00 0.00 0.00 179.01 179.95 1ugj h LYS 50 N 0.89 0.00 -6.74 2.33 2.10 0.36 -3.43 116.57 112.07 1ugj h LYS 50 Ca 0.16 0.00 -0.49 0.00 -2.00 0.00 0.00 60.65 58.32 1ugj h LYS 50 Cb 0.55 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.86 1ugj h LYS 50 CO 0.03 0.32 0.36 0.45 -2.00 0.00 0.00 179.45 178.62 1ugj s SER 51 N -6.39 7.60 -0.07 7.07 0.15 0.50 -4.93 113.70 117.62 1ugj s SER 51 Ca -0.00 1.97 0.08 0.00 0.70 0.00 0.00 55.95 58.70 1ugj s SER 51 Cb 0.11 -2.61 0.37 0.00 -1.71 0.00 0.00 66.02 62.18 1ugj s SER 51 CO 0.67 0.11 1.16 0.29 1.20 0.00 0.00 173.24 176.68 1ugj n LYS 52 N 1.55 2.52 -3.14 5.44 4.01 -1.26 -4.86 118.16 122.42 1ugj n LYS 52 Ca -0.02 -1.45 -0.39 0.00 -0.51 0.00 0.00 58.31 55.94 1ugj n LYS 52 Cb 0.47 -1.66 -0.05 0.00 -0.51 0.00 0.00 35.03 33.28 1ugj n LYS 52 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1ugj s ALA 53 N -1.74 3.40 -1.72 7.82 0.00 -1.26 -4.93 121.76 123.33 1ugj s ALA 53 Ca 0.26 0.04 0.21 0.00 0.00 0.00 0.00 51.96 52.47 1ugj s ALA 53 Cb 0.17 -2.84 0.67 0.00 0.00 0.00 0.00 23.12 21.12 1ugj s ALA 53 CO 0.11 -0.01 1.57 0.09 0.00 0.00 0.00 175.76 177.51 1ugj n ASN 54 N 3.48 4.19 -3.64 0.00 3.02 -1.26 -4.81 115.26 116.23 1ugj n ASN 54 Ca -0.04 -2.13 -0.21 0.00 -0.03 0.00 0.00 54.58 52.18 1ugj n ASN 54 Cb 0.51 -0.51 -0.17 0.00 -0.61 0.00 0.00 39.78 39.00 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 -1.24 0.00 0.43 3.10 2.46 -1.26 -3.07 115.29 115.71 1ugj s HIS 55 Ca 0.50 0.20 0.05 0.00 0.47 0.00 0.00 55.06 56.27 1ugj s HIS 55 Cb 0.28 -0.47 -0.06 0.00 -0.13 0.00 0.00 32.58 32.20 1ugj s HIS 55 CO 0.31 -0.33 0.02 -0.06 -2.47 0.00 0.00 174.74 172.21 1ugj s PHE 56 N 2.21 2.25 0.19 3.88 0.40 -1.26 -0.21 117.98 125.43 1ugj s PHE 56 Ca 0.04 -0.81 -0.13 0.00 -0.60 0.00 0.00 56.93 55.43 1ugj s PHE 56 Cb -0.13 -1.65 0.01 0.00 0.51 0.00 0.00 43.02 41.75 1ugj s PHE 56 CO -0.06 0.31 0.41 -0.51 0.70 0.00 0.00 175.22 176.06 1ugj s LEU 57 N -3.73 0.52 -0.25 -0.37 1.02 -0.88 -4.76 118.68 110.23 1ugj s LEU 57 Ca 0.27 -0.71 -0.03 0.00 0.02 0.00 0.00 54.13 53.68 1ugj s LEU 57 Cb 0.07 1.66 0.01 0.00 0.02 0.00 0.00 46.19 47.96 1ugj s LEU 57 CO 0.13 -0.99 -0.04 -0.63 0.02 0.00 0.00 176.35 174.85 1ugj s ILE 58 N -3.93 3.13 -0.53 -0.59 1.01 -1.26 -3.18 121.20 115.86 1ugj s ILE 58 Ca 0.14 -0.84 -0.21 0.00 0.00 0.00 0.00 60.65 59.74 1ugj s ILE 58 Cb 0.01 -2.55 0.05 0.00 0.01 0.00 0.00 42.46 39.98 1ugj s ILE 58 CO -0.00 0.25 0.75 -0.22 0.00 0.00 0.00 174.94 175.71 1ugj s LEU 59 N 1.39 4.63 0.00 2.97 2.96 -0.81 -2.44 118.68 127.38 1ugj s LEU 59 Ca 0.02 -0.71 -0.04 0.00 -0.22 0.00 0.00 54.13 53.18 1ugj s LEU 59 Cb -0.16 -2.59 0.08 0.00 0.50 0.00 0.00 46.19 44.02 1ugj s LEU 59 CO -0.03 -1.03 0.52 0.49 -1.32 0.00 0.00 176.35 174.97 1ugj n PHE 60 N 6.69 -3.68 0.01 5.38 3.72 -1.23 0.19 117.46 128.53 1ugj n PHE 60 Ca -0.03 -0.61 -0.13 0.00 -0.05 0.00 0.00 57.45 56.63 1ugj n PHE 60 Cb 0.46 -0.39 -0.14 0.00 -0.94 0.00 0.00 39.48 38.47 1ugj n PHE 60 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1ugj h ARG 61 N 0.00 0.10 0.00 -1.08 1.12 -1.87 -3.41 114.38 109.24 1ugj h ARG 61 Ca -0.17 -0.18 0.00 0.00 -1.11 0.00 0.00 59.98 58.52 1ugj h ARG 61 Cb 0.52 0.07 0.00 0.00 -0.01 0.00 0.00 29.97 30.54 1ugj h ARG 61 CO 0.14 0.81 0.00 -3.47 -3.11 0.00 0.00 179.97 174.34 1ugj n ASP 62 N -3.25 -0.92 -3.50 -3.80 2.03 -1.26 -5.03 116.55 100.83 1ugj n ASP 62 Ca -0.18 0.35 0.01 0.00 0.52 0.00 0.00 54.79 55.48 1ugj n ASP 62 Cb 1.04 1.02 -0.04 0.00 -0.72 0.00 0.00 41.12 42.43 1ugj n ASP 62 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1ugj s SER 63 N -3.39 -0.99 -1.53 1.67 0.15 -1.26 -4.73 113.70 103.62 1ugj s SER 63 Ca 0.00 1.22 -0.19 0.00 0.70 0.00 0.00 55.95 57.69 1ugj s SER 63 Cb 0.00 2.07 0.18 0.00 -1.71 0.00 0.00 66.02 66.56 1ugj s SER 63 CO 0.00 -0.19 0.52 -1.20 1.20 0.00 0.00 173.24 173.57 1ugj n SER 64 N 5.32 -2.02 0.00 5.45 7.64 -1.26 -4.84 113.62 123.91 1ugj n SER 64 Ca -0.10 -0.89 0.00 0.00 1.01 0.00 0.00 58.87 58.90 1ugj n SER 64 Cb 0.50 -1.75 0.00 0.00 -1.01 0.00 0.00 64.21 61.95 1ugj n SER 64 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ugj s GLN 66 N 0.17 0.11 0.12 0.00 -0.21 -1.26 -4.98 119.66 113.61 1ugj s GLN 66 Ca 0.00 -0.02 -0.33 0.00 0.02 0.00 0.00 55.36 55.02 1ugj s GLN 66 Cb 0.00 0.05 -0.13 0.00 1.00 0.00 0.00 33.01 33.93 1ugj s GLN 66 CO 0.00 -0.02 1.70 0.34 -2.12 0.00 0.00 175.29 175.19 1ugj n PHE 67 N 2.81 2.41 -0.05 0.91 -0.00 -1.23 -2.73 117.46 119.57 1ugj n PHE 67 Ca -0.14 0.11 -0.02 0.00 -0.00 0.00 0.00 57.45 57.41 1ugj n PHE 67 Cb 0.59 -2.62 -0.13 0.00 -0.00 0.00 0.00 39.48 37.32 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 4.47 1.07 -3.61 -4.13 5.12 0.51 -4.93 116.66 115.16 1ugj n ARG 68 Ca 0.18 -0.06 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 1ugj n ARG 68 Cb 0.31 -1.41 -0.01 0.00 -1.16 0.00 0.00 32.46 30.19 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 -2.69 -2.33 -0.05 7.54 0.00 -1.12 -4.27 121.76 118.84 1ugj s ALA 69 Ca -0.07 1.57 0.01 0.00 0.00 0.00 0.00 51.96 53.47 1ugj s ALA 69 Cb 0.07 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.98 1ugj s ALA 69 CO 0.67 -0.74 -0.05 -1.17 0.00 0.00 0.00 175.76 174.47 1ugj s LEU 70 N -2.38 3.25 0.29 0.00 1.98 -0.75 -1.92 118.68 119.14 1ugj s LEU 70 Ca 0.13 -0.02 0.02 0.00 -2.89 0.00 0.00 54.13 51.37 1ugj s LEU 70 Cb 0.02 -1.76 -0.04 0.00 0.66 0.00 0.00 46.19 45.08 1ugj s LEU 70 CO -0.04 0.34 0.14 -0.31 -1.89 0.00 0.00 176.35 174.60 1ugj s TYR 71 N -0.88 1.56 -0.03 5.38 1.51 -1.19 -2.25 117.35 121.44 1ugj s TYR 71 Ca 0.14 -1.33 0.03 0.00 -1.01 0.00 0.00 57.07 54.90 1ugj s TYR 71 Cb -0.11 -0.85 0.00 0.00 -0.11 0.00 0.00 41.96 40.89 1ugj s TYR 71 CO 0.03 -0.49 -0.11 0.95 -1.11 0.00 0.00 175.55 174.82 1ugj s THR 72 N -3.67 0.96 -0.02 -0.71 -4.23 0.05 -2.08 115.64 105.94 1ugj s THR 72 Ca 0.36 -0.45 -0.21 0.00 -1.18 0.00 0.00 61.69 60.21 1ugj s THR 72 Cb 0.06 -0.85 -0.05 0.00 1.34 0.00 0.00 72.50 73.00 1ugj s THR 72 CO 0.16 0.29 0.61 -0.22 -0.54 0.00 0.00 174.62 174.93 1ugj s LEU 73 N 0.20 4.40 -0.12 4.79 2.96 0.71 0.66 118.68 132.28 1ugj s LEU 73 Ca -0.04 1.16 -0.28 0.00 -0.22 0.00 0.00 54.13 54.75 1ugj s LEU 73 Cb -0.10 -2.95 -0.02 0.00 0.50 0.00 0.00 46.19 43.63 1ugj s LEU 73 CO 0.01 0.06 0.93 -0.44 -1.32 0.00 0.00 176.35 175.59 1ugj s SER 74 N -0.00 7.14 0.04 3.68 0.01 -0.25 -4.52 113.70 119.81 1ugj s SER 74 Ca 0.32 1.40 0.23 0.00 1.31 0.00 0.00 55.95 59.21 1ugj s SER 74 Cb -0.18 -2.51 0.93 0.00 0.21 0.00 0.00 66.02 64.47 1ugj s SER 74 CO 0.17 -0.40 1.71 0.61 0.41 0.00 0.00 173.24 175.75 1ugj n GLY 75 N 3.20 -1.30 0.07 3.44 0.00 -1.26 -2.67 105.19 106.67 1ugj n GLY 75 Ca 0.07 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 1ugj n GLY 75 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1ugj h GLU 76 N 0.00 0.05 0.00 1.61 9.09 -1.91 -3.37 114.58 120.04 1ugj h GLU 76 Ca 0.00 -0.08 0.00 0.00 0.05 0.00 0.00 59.36 59.33 1ugj h GLU 76 Cb 0.41 0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.54 1ugj h GLU 76 CO 0.00 0.98 0.00 0.25 0.05 0.00 0.00 179.01 180.29 1ugj n THR 77 N -3.35 0.00 -0.00 -1.06 -2.24 -1.09 -5.06 114.28 101.48 1ugj n THR 77 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1ugj n THR 77 Cb 0.97 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 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 1.34 -1.97 -0.78 1.02 -1.26 -4.70 120.64 114.29 1ugj n GLU 78 Ca 0.00 -0.35 -0.30 0.00 -0.02 0.00 0.00 57.16 56.49 1ugj n GLU 78 Cb 0.00 -0.85 0.03 0.00 -0.02 0.00 0.00 31.44 30.60 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 -0.29 3.20 0.05 3.49 8.01 -1.26 -4.36 118.70 127.54 1ugj s GLU 79 Ca 0.00 0.52 0.00 0.00 0.01 0.00 0.00 54.97 55.50 1ugj s GLU 79 Cb 0.00 -2.09 0.00 0.00 -4.31 0.00 0.00 34.13 27.74 1ugj s GLU 79 CO 0.00 -0.77 0.04 1.28 0.01 0.00 0.00 175.26 175.82 1ugj n LEU 80 N -2.82 0.00 -3.72 1.80 4.77 0.17 -1.08 117.00 116.12 1ugj n LEU 80 Ca 0.06 -0.28 -0.12 0.00 -0.03 0.00 0.00 56.01 55.64 1ugj n LEU 80 Cb 0.56 -0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.54 1ugj n LEU 80 CO 0.57 -0.28 0.05 -0.55 -1.33 0.00 0.00 177.39 175.85 1ugj s SER 81 N -1.31 -0.45 -0.47 -1.43 0.15 0.21 -3.84 113.70 106.56 1ugj s SER 81 Ca 0.03 0.83 -0.28 0.00 0.70 0.00 0.00 55.95 57.23 1ugj s SER 81 Cb -0.00 0.77 -0.01 0.00 -1.71 0.00 0.00 66.02 65.06 1ugj s SER 81 CO 0.02 -0.16 1.76 -0.60 1.20 0.00 0.00 173.24 175.46 1ugj s ARG 82 N 0.79 3.07 -0.07 5.44 3.52 -0.05 -0.77 118.95 130.88 1ugj s ARG 82 Ca -0.05 0.99 -0.03 0.00 -0.13 0.00 0.00 55.73 56.51 1ugj s ARG 82 Cb -0.06 -4.25 -0.02 0.00 -1.56 0.00 0.00 34.95 29.07 1ugj s ARG 82 CO -0.06 -2.19 0.13 1.25 -0.81 0.00 0.00 175.30 173.62 1ugj h LEU 83 N 14.62 -0.08 -7.93 -0.88 5.85 -1.81 -3.48 115.31 121.59 1ugj h LEU 83 Ca -0.29 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.48 1ugj h LEU 83 Cb 1.16 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 42.15 1ugj h LEU 83 CO 1.12 0.33 0.19 0.00 -0.34 0.00 0.00 178.44 179.74 1ugj s ALA 84 N -2.87 -1.16 0.00 1.25 0.00 -0.96 -5.04 121.76 112.98 1ugj s ALA 84 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.65 1ugj s ALA 84 Cb 0.00 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.99 1ugj s ALA 84 CO 0.04 -1.00 0.00 0.41 0.00 0.00 0.00 175.76 175.22 1ugj n GLY 85 N -0.44 1.11 0.00 0.00 0.00 -1.26 -1.80 105.19 102.79 1ugj n GLY 85 Ca -0.05 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1ugj n GLY 85 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ugj n TYR 86 N 0.00 0.00 -0.90 1.61 4.01 -1.26 -5.01 117.16 115.61 1ugj n TYR 86 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1ugj n TYR 86 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1ugj n TYR 86 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ugj n GLY 87 N -0.79 0.15 3.70 2.72 0.00 -1.26 -4.61 105.19 105.10 1ugj n GLY 87 Ca 0.00 -1.31 -0.42 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 4.40 0.31 1.61 0.04 -1.26 -4.89 135.00 133.21 1ugj s PRO 88 Ca 0.00 1.71 0.14 0.00 0.04 0.00 0.00 61.00 62.89 1ugj s PRO 88 Cb 0.00 -3.45 1.04 0.00 0.04 0.00 0.00 34.50 32.13 1ugj s PRO 88 CO 0.00 -0.34 1.38 -2.13 0.04 0.00 0.00 177.00 175.95 1ugj n ARG 89 N 4.52 -0.06 -4.22 4.56 0.63 -1.26 -4.42 116.66 116.41 1ugj n ARG 89 Ca 0.10 1.24 -0.13 0.00 -0.92 0.00 0.00 57.85 58.14 1ugj n ARG 89 Cb 0.46 -2.15 -0.10 0.00 0.45 0.00 0.00 32.46 31.13 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 -5.47 0.19 -0.03 5.15 2.01 -1.26 -0.87 115.64 115.37 1ugj s THR 90 Ca -0.09 -1.99 -0.03 0.00 0.31 0.00 0.00 61.69 59.90 1ugj s THR 90 Cb 0.29 -2.44 0.01 0.00 0.01 0.00 0.00 72.50 70.36 1ugj s THR 90 CO 0.68 -0.10 0.08 -0.69 -0.69 0.00 0.00 174.62 173.90 1ugj s VAL 91 N -4.01 0.01 0.35 3.82 1.01 -1.25 -4.95 120.40 115.38 1ugj s VAL 91 Ca 0.36 -0.08 0.09 0.00 0.00 0.00 0.00 61.98 62.35 1ugj s VAL 91 Cb 0.07 -0.14 -0.06 0.00 0.00 0.00 0.00 36.38 36.25 1ugj s VAL 91 CO 0.10 -0.04 -0.01 0.42 0.00 0.00 0.00 175.10 175.57 1ugj s THR 92 N -0.10 2.46 -1.21 3.92 -4.23 -1.26 0.43 115.64 115.66 1ugj s THR 92 Ca -0.01 -2.03 0.22 0.00 -1.18 0.00 0.00 61.69 58.69 1ugj s THR 92 Cb -0.01 -2.77 0.28 0.00 1.34 0.00 0.00 72.50 71.34 1ugj s THR 92 CO 0.00 -0.18 1.72 -0.81 -0.54 0.00 0.00 174.62 174.81 1ugj n PRO 93 N -0.92 0.16 0.11 3.99 -0.04 -1.26 -2.24 135.00 134.79 1ugj n PRO 93 Ca -0.04 0.10 0.03 0.00 -0.04 0.00 0.00 63.50 63.55 1ugj n PRO 93 Cb 0.63 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.59 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 2.91 0.68 0.00 0.55 0.00 -1.95 -3.30 119.26 118.14 1ugj h ALA 94 Ca 0.00 -0.50 -0.18 0.00 0.00 0.00 0.00 54.91 54.23 1ugj h ALA 94 Cb 0.30 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1ugj h ALA 94 CO 0.00 0.60 -1.74 -1.33 0.00 0.00 0.00 179.25 176.78 1ugj n MET 95 N -3.05 0.64 -1.71 0.00 2.81 -0.97 -4.93 117.12 109.90 1ugj n MET 95 Ca -0.02 0.09 -0.43 0.00 -1.81 0.00 0.00 57.70 55.54 1ugj n MET 95 Cb 0.73 -1.69 -0.01 0.00 -0.71 0.00 0.00 33.22 31.54 1ugj n MET 95 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 1ugj n VAL 96 N -2.74 1.53 -0.13 2.03 3.14 -0.95 0.01 118.33 121.22 1ugj n VAL 96 Ca -0.14 -0.38 -0.27 0.00 -2.96 0.00 0.00 64.34 60.59 1ugj n VAL 96 Cb 0.86 -1.69 -0.11 0.00 -1.06 0.00 0.00 33.84 31.84 1ugj n VAL 96 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1ugj n GLU 97 N 1.25 0.60 -3.78 1.45 4.07 0.23 -4.73 120.64 119.72 1ugj n GLU 97 Ca 0.07 0.30 -0.13 0.00 -0.06 0.00 0.00 57.16 57.34 1ugj n GLU 97 Cb 0.35 -1.54 -0.10 0.00 -0.06 0.00 0.00 31.44 30.09 1ugj n GLU 97 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 1ugj s GLY 98 N -5.50 -0.15 -0.06 8.31 0.00 -1.12 -5.00 107.32 103.79 1ugj s GLY 98 Ca -0.36 0.49 0.05 0.00 0.00 0.00 0.00 44.72 44.90 1ugj s GLY 98 CO 0.53 0.33 -0.24 -0.26 0.00 0.00 0.00 173.10 173.46 1ugj s ILE 99 N -0.63 2.18 0.39 0.90 -4.36 -1.26 -1.44 121.20 116.97 1ugj s ILE 99 Ca -0.07 -1.02 0.05 0.00 -0.26 0.00 0.00 60.65 59.35 1ugj s ILE 99 Cb -0.04 -1.80 -0.06 0.00 1.25 0.00 0.00 42.46 41.81 1ugj s ILE 99 CO 0.02 0.57 0.04 -0.31 0.24 0.00 0.00 174.94 175.50 1ugj s TYR 100 N -0.14 2.18 0.24 1.37 1.51 0.49 -0.23 117.35 122.78 1ugj s TYR 100 Ca -0.04 -0.86 0.02 0.00 -1.01 0.00 0.00 57.07 55.18 1ugj s TYR 100 Cb -0.14 -1.52 -0.01 0.00 -0.11 0.00 0.00 41.96 40.18 1ugj s TYR 100 CO 0.04 0.20 0.06 0.36 -1.11 0.00 0.00 175.55 175.10 1ugj n LYS 101 N -0.88 0.89 -3.82 -0.62 0.00 0.29 0.85 118.16 114.87 1ugj n LYS 101 Ca -0.05 -1.98 -0.27 0.00 -0.00 0.00 0.00 58.31 56.01 1ugj n LYS 101 Cb 0.67 0.92 -0.17 0.00 -0.00 0.00 0.00 35.03 36.45 1ugj n LYS 101 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 1ugj s TYR 102 N -2.30 1.31 -0.56 5.58 6.14 -1.26 -2.44 117.35 123.82 1ugj s TYR 102 Ca 0.09 -0.86 -0.27 0.00 0.64 0.00 0.00 57.07 56.66 1ugj s TYR 102 Cb 0.00 -1.14 -0.03 0.00 0.42 0.00 0.00 41.96 41.22 1ugj s TYR 102 CO 0.06 -0.57 1.91 -0.80 0.64 0.00 0.00 175.55 176.79 1ugj s ASN 103 N 1.76 5.27 0.00 4.32 0.01 0.44 -4.78 114.94 121.96 1ugj s ASN 103 Ca 0.01 0.53 0.15 0.00 -0.71 0.00 0.00 52.86 52.84 1ugj s ASN 103 Cb -0.15 -2.53 0.80 0.00 0.41 0.00 0.00 41.25 39.78 1ugj s ASN 103 CO -0.07 -2.34 1.53 -0.24 -1.51 0.00 0.00 177.10 174.47 1ugj n SER 104 N 12.75 0.40 -0.04 -1.22 2.88 -1.26 0.11 113.62 127.23 1ugj n SER 104 Ca 0.22 -1.61 -0.06 0.00 -1.33 0.00 0.00 58.87 56.10 1ugj n SER 104 Cb 0.52 -0.03 -0.04 0.00 -0.75 0.00 0.00 64.21 63.90 1ugj n SER 104 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1ugj n ASP 105 N -0.47 3.32 -0.00 -3.46 8.00 -1.26 -4.65 116.55 118.02 1ugj n ASP 105 Ca 0.12 -0.05 0.10 0.00 0.71 0.00 0.00 54.79 55.67 1ugj n ASP 105 Cb 0.11 -0.11 -0.14 0.00 -0.02 0.00 0.00 41.12 40.96 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 -2.74 0.29 -3.25 -1.24 1.74 -1.22 -4.98 116.66 105.26 1ugj n ARG 106 Ca -0.15 -0.07 -0.17 0.00 -0.77 0.00 0.00 57.85 56.69 1ugj n ARG 106 Cb 0.67 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.66 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 -1.78 -5.51 -4.48 5.56 5.02 0.30 -5.01 118.16 112.26 1ugj n LYS 107 Ca 0.01 0.58 -0.24 0.00 -2.02 0.00 0.00 58.31 56.64 1ugj n LYS 107 Cb 0.41 -4.86 -0.08 0.00 -0.02 0.00 0.00 35.03 30.48 1ugj n LYS 107 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1ugj s ARG 108 N -5.90 1.86 -0.10 1.97 0.52 -1.04 -4.92 118.95 111.34 1ugj s ARG 108 Ca 0.40 -2.11 -0.02 0.00 -0.52 0.00 0.00 55.73 53.48 1ugj s ARG 108 Cb -0.18 -0.56 -0.03 0.00 0.52 0.00 0.00 34.95 34.70 1ugj s ARG 108 CO 0.50 -0.45 -0.02 -0.06 0.02 0.00 0.00 175.30 175.29 1ugj s PHE 109 N -3.27 3.08 0.25 -0.53 0.40 -1.26 0.17 117.98 116.82 1ugj s PHE 109 Ca 0.27 0.05 0.04 0.00 -0.60 0.00 0.00 56.93 56.69 1ugj s PHE 109 Cb 0.03 -1.82 -0.05 0.00 0.51 0.00 0.00 43.02 41.69 1ugj s PHE 109 CO 0.15 0.32 -0.00 0.99 0.70 0.00 0.00 175.22 177.38 1ugj s THR 110 N -0.55 1.15 0.17 0.64 2.01 -1.02 -4.91 115.64 113.13 1ugj s THR 110 Ca 0.09 -2.04 0.04 0.00 0.31 0.00 0.00 61.69 60.08 1ugj s THR 110 Cb -0.12 -2.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 1ugj s THR 110 CO 0.02 -0.27 0.24 -1.58 -0.69 0.00 0.00 174.62 172.34 1ugj s GLN 111 N -3.85 3.25 0.01 4.92 0.74 -1.26 0.10 119.66 123.58 1ugj s GLN 111 Ca 0.30 -0.72 -0.14 0.00 0.05 0.00 0.00 55.36 54.85 1ugj s GLN 111 Cb 0.06 -2.84 -0.06 0.00 1.10 0.00 0.00 33.01 31.27 1ugj s GLN 111 CO 0.10 0.49 0.40 0.42 -0.55 0.00 0.00 175.29 176.16 1ugj s ILE 112 N -1.80 5.05 -1.98 -2.34 -1.09 0.68 -4.73 121.20 114.99 1ugj s ILE 112 Ca 0.33 0.76 0.24 0.00 -2.23 0.00 0.00 60.65 59.76 1ugj s ILE 112 Cb -0.10 -3.69 0.67 0.00 -1.58 0.00 0.00 42.46 37.76 1ugj s ILE 112 CO 0.27 0.53 1.80 -0.81 -1.23 0.00 0.00 174.94 175.49 1ugj n PRO 113 N 1.65 0.74 -4.36 2.79 -0.04 -1.26 -4.74 135.00 129.78 1ugj n PRO 113 Ca -0.13 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.14 1ugj n PRO 113 Cb 0.52 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 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 -2.02 2.10 -1.76 0.55 0.00 -1.26 -5.03 121.76 114.34 1ugj s ALA 114 Ca 0.36 -1.68 0.16 0.00 0.00 0.00 0.00 51.96 50.79 1ugj s ALA 114 Cb 0.16 -0.11 0.22 0.00 0.00 0.00 0.00 23.12 23.40 1ugj s ALA 114 CO 0.28 0.10 1.12 1.63 0.00 0.00 0.00 175.76 178.88 1ugj n LYS 115 N -0.38 1.71 -3.01 0.00 5.02 -1.26 -4.52 118.16 115.73 1ugj n LYS 115 Ca -0.08 -1.71 -0.18 0.00 -2.02 0.00 0.00 58.31 54.32 1ugj n LYS 115 Cb 0.60 -1.33 0.03 0.00 -0.02 0.00 0.00 35.03 34.31 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 -1.21 2.75 0.38 -0.18 2.01 -1.26 -4.87 115.64 113.27 1ugj s THR 116 Ca 0.23 -0.99 -0.25 0.00 0.31 0.00 0.00 61.69 60.99 1ugj s THR 116 Cb 0.14 -2.76 -0.09 0.00 0.01 0.00 0.00 72.50 69.80 1ugj s THR 116 CO 0.21 0.00 1.05 -0.04 -0.69 0.00 0.00 174.62 175.15 1ugj s MET 117 N -4.45 4.23 0.30 4.92 -1.94 -1.26 -4.97 119.30 116.13 1ugj s MET 117 Ca 0.57 1.54 -0.17 0.00 -1.71 0.00 0.00 55.69 55.92 1ugj s MET 117 Cb -0.09 -2.62 0.02 0.00 2.01 0.00 0.00 34.83 34.15 1ugj s MET 117 CO 0.35 -0.09 0.68 -1.12 -0.01 0.00 0.00 175.02 174.83 1ugj s SER 118 N -1.49 -0.10 -0.19 3.03 0.01 -1.26 -5.03 113.70 108.67 1ugj s SER 118 Ca 0.56 -0.84 0.02 0.00 1.31 0.00 0.00 55.95 57.00 1ugj s SER 118 Cb -0.23 0.73 0.29 0.00 0.21 0.00 0.00 66.02 67.02 1ugj s SER 118 CO 0.29 -1.39 1.40 0.23 0.41 0.00 0.00 173.24 174.18 1ugj n MET 119 N -0.47 1.55 -0.48 12.44 2.81 -1.26 -3.43 117.12 128.28 1ugj n MET 119 Ca -0.04 -1.31 0.01 0.00 -1.81 0.00 0.00 57.70 54.55 1ugj n MET 119 Cb 0.60 -1.52 0.02 0.00 -0.71 0.00 0.00 33.22 31.61 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 -0.21 0.36 -4.62 7.83 7.64 -1.26 -4.96 113.62 118.39 1ugj n SER 120 Ca 0.26 -2.15 -0.34 0.00 1.01 0.00 0.00 58.87 57.64 1ugj n SER 120 Cb 1.01 -0.24 -0.10 0.00 -1.01 0.00 0.00 64.21 63.87 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 -0.40 4.74 -0.03 0.44 1.01 -1.22 -4.18 120.40 120.76 1ugj s VAL 121 Ca 0.06 -0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.02 1ugj s VAL 121 Cb 0.05 -3.13 0.06 0.00 0.00 0.00 0.00 36.38 33.36 1ugj s VAL 121 CO -0.00 0.46 0.88 0.47 0.00 0.00 0.00 175.10 176.91 1ugj n ASP 122 N 3.55 1.05 -3.65 3.32 9.92 0.25 -4.88 116.55 126.12 1ugj n ASP 122 Ca -0.17 -1.92 -0.03 0.00 -0.53 0.00 0.00 54.79 52.15 1ugj n ASP 122 Cb 0.52 -0.13 -0.07 0.00 -0.64 0.00 0.00 41.12 40.81 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 -0.87 -2.28 0.05 2.24 0.00 -0.91 -4.07 121.76 115.93 1ugj s ALA 123 Ca 0.06 1.83 -0.09 0.00 0.00 0.00 0.00 51.96 53.77 1ugj s ALA 123 Cb 0.06 -1.75 0.00 0.00 0.00 0.00 0.00 23.12 21.42 1ugj s ALA 123 CO 0.01 -0.20 0.19 -0.59 0.00 0.00 0.00 175.76 175.17 1ugj s PHE 124 N 0.41 0.09 -0.16 0.00 -0.71 -1.02 0.18 117.98 116.78 1ugj s PHE 124 Ca 0.02 -0.38 -0.03 0.00 -1.04 0.00 0.00 56.93 55.50 1ugj s PHE 124 Cb -0.04 -0.04 0.05 0.00 -1.21 0.00 0.00 43.02 41.77 1ugj s PHE 124 CO -0.13 -0.46 0.03 0.95 -1.34 0.00 0.00 175.22 174.27 1ugj s THR 125 N -2.98 0.41 1.07 -4.49 -4.23 -0.52 -3.55 115.64 101.34 1ugj s THR 125 Ca -0.02 -0.33 -0.12 0.00 -1.18 0.00 0.00 61.69 60.04 1ugj s THR 125 Cb 0.01 -0.84 0.23 0.00 1.34 0.00 0.00 72.50 73.24 1ugj s THR 125 CO -0.06 -0.09 1.06 0.27 -0.54 0.00 0.00 174.62 175.26 1ugj s ILE 126 N 1.92 2.07 0.85 2.99 -4.36 -1.26 0.76 121.20 124.17 1ugj s ILE 126 Ca 0.01 0.02 -0.14 0.00 -0.26 0.00 0.00 60.65 60.29 1ugj s ILE 126 Cb -0.16 -2.31 0.21 0.00 1.25 0.00 0.00 42.46 41.46 1ugj s ILE 126 CO -0.07 -0.03 0.48 0.00 0.24 0.00 0.00 174.94 175.56 1ugj n GLN 127 N -4.52 -3.32 -0.11 0.37 6.02 0.10 -4.43 117.38 111.49 1ugj n GLN 127 Ca 0.04 -0.81 -0.21 0.00 -0.01 0.00 0.00 57.00 56.01 1ugj n GLN 127 Cb 0.56 -1.11 -0.08 0.00 1.02 0.00 0.00 30.24 30.63 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 -3.10 -0.60 0.56 1.08 0.00 -1.26 -4.32 105.19 97.55 1ugj n GLY 128 Ca 0.08 -0.14 0.45 0.00 0.00 0.00 0.00 46.02 46.41 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 -1.00 0.33 0.09 1.61 2.07 -1.95 0.40 115.15 116.70 1ugj h HIS 129 Ca -0.39 0.02 0.01 0.00 -2.85 0.00 0.00 60.37 57.15 1ugj h HIS 129 Cb 1.29 -0.08 -0.03 0.00 2.57 0.00 0.00 27.41 31.17 1ugj h HIS 129 CO -0.15 -0.19 -0.32 -0.07 -3.07 0.00 0.00 177.93 174.13 1ugj h LEU 130 N 0.00 -0.95 -0.24 6.12 4.07 -1.93 -2.60 115.31 119.78 1ugj h LEU 130 Ca 0.91 0.10 0.04 0.00 0.08 0.00 0.00 57.88 59.01 1ugj h LEU 130 Cb 3.20 0.35 -0.07 0.00 1.08 0.00 0.00 40.66 45.21 1ugj h LEU 130 CO -0.31 -0.34 -0.55 -0.50 -1.08 0.00 0.00 178.44 175.65 1ugj h TRP 131 N -0.47 -1.66 -3.34 1.13 4.06 -0.43 -3.41 115.95 111.82 1ugj h TRP 131 Ca -0.01 0.07 -0.52 0.00 2.06 0.00 0.00 58.89 60.49 1ugj h TRP 131 Cb 0.47 0.76 0.22 0.00 -1.00 0.00 0.00 29.16 29.60 1ugj h TRP 131 CO -0.37 -0.53 -0.58 1.04 -3.56 0.00 0.00 178.44 174.44 1ugj n GLN 132 N -5.41 -0.46 -2.76 0.49 1.13 -0.98 -4.91 117.38 104.48 1ugj n GLN 132 Ca -0.05 -0.09 -0.42 0.00 -1.94 0.00 0.00 57.00 54.50 1ugj n GLN 132 Cb 0.36 -1.87 -0.03 0.00 0.11 0.00 0.00 30.24 28.81 1ugj n GLN 132 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1ugj s SER 133 N -2.03 7.25 0.00 1.08 0.01 -1.26 -4.75 113.70 114.00 1ugj s SER 133 Ca 0.57 1.53 0.00 0.00 1.31 0.00 0.00 55.95 59.36 1ugj s SER 133 Cb -0.20 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.49 1ugj s SER 133 CO 0.67 -0.31 0.00 1.17 0.41 0.00 0.00 173.24 175.18 1ugj n LYS 134 N 4.31 0.00 -3.57 12.44 4.81 -1.26 -5.08 118.16 129.80 1ugj n LYS 134 Ca 0.06 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.41 1ugj n LYS 134 Cb 0.50 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.51 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 -0.66 0.56 -0.23 1.64 2.36 -1.26 -5.08 119.74 117.08 1ugj s LYS 135 Ca 0.00 0.06 -0.17 0.00 -2.55 0.00 0.00 55.97 53.31 1ugj s LYS 135 Cb 0.00 0.26 -0.13 0.00 -1.05 0.00 0.00 37.83 36.92 1ugj s LYS 135 CO 0.00 -0.19 -0.13 0.43 1.55 0.00 0.00 175.35 177.01 1ugj n SER 136 N 0.53 1.90 -0.10 1.43 7.64 -1.26 -4.94 113.62 118.83 1ugj n SER 136 Ca -0.09 0.40 0.00 0.00 1.01 0.00 0.00 58.87 60.20 1ugj n SER 136 Cb 0.58 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 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 1.38 0.20 3.71 0.23 0.00 -1.26 -5.05 105.19 104.40 1ugj n GLY 137 Ca -0.36 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.59 4.43 0.97 1.61 0.04 -1.26 -4.81 135.00 135.38 1ugj s PRO 138 Ca 0.00 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.76 1ugj s PRO 138 Cb 0.00 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1ugj s PRO 138 CO 0.00 -0.27 0.00 0.45 0.04 0.00 0.00 177.00 177.22 1ugj n SER 139 N 4.17 0.00 -1.76 6.66 2.88 -1.26 -5.07 113.62 119.24 1ugj n SER 139 Ca 0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1ugj n SER 139 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1ugj n SER 139 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ugj n SER 140 N 0.94 -6.85 0.00 -3.46 2.88 -1.26 -5.22 113.62 100.65 1ugj n SER 140 Ca 0.00 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 1ugj n SER 140 Cb 0.00 -3.74 0.00 0.00 -0.75 0.00 0.00 64.21 59.72 1ugj n SER 140 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42