#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 0.12 0.23 1.61 0.15 -1.26 -5.18 113.70 109.37 1ugj s SER 2 Ca 0.00 -1.26 -0.06 0.00 0.70 0.00 0.00 55.95 55.34 1ugj s SER 2 Cb 0.00 0.45 -0.02 0.00 -1.71 0.00 0.00 66.02 64.74 1ugj s SER 2 CO 0.00 -0.95 0.29 -0.55 1.20 0.00 0.00 173.24 173.23 1ugj s SER 3 N -3.12 0.12 0.00 5.45 0.15 -1.26 -5.15 113.70 109.88 1ugj s SER 3 Ca 0.34 -1.21 0.00 0.00 0.70 0.00 0.00 55.95 55.77 1ugj s SER 3 Cb 0.04 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 1ugj s SER 3 CO 0.12 -0.99 0.00 0.61 1.20 0.00 0.00 173.24 174.18 1ugj n GLY 4 N -0.34 -0.45 1.02 9.45 0.00 -1.26 -5.17 105.19 108.45 1ugj n GLY 4 Ca 0.01 -0.94 0.03 0.00 0.00 0.00 0.00 46.02 45.12 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 -5.52 0.00 1.61 7.64 -1.26 -5.10 113.62 110.99 1ugj n SER 5 Ca 0.00 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1ugj n SER 5 Cb 0.00 -3.13 0.00 0.00 -1.01 0.00 0.00 64.21 60.07 1ugj n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ugj n SER 6 N -2.62 0.00 0.00 6.43 2.88 -1.26 -5.14 113.62 113.91 1ugj n SER 6 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1ugj n SER 6 Cb 0.36 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 1ugj n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ugj n GLY 7 N -0.13 -1.46 3.29 0.46 0.00 -1.26 -5.18 105.19 100.92 1ugj n GLY 7 Ca 0.00 1.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.76 1ugj n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ugj n PRO 8 N 0.00 -2.02 -4.19 1.61 -0.04 -1.26 -5.10 135.00 124.00 1ugj n PRO 8 Ca 0.00 -1.70 -0.21 0.00 -0.04 0.00 0.00 63.50 61.55 1ugj n PRO 8 Cb 0.00 -1.34 -0.07 0.00 -0.04 0.00 0.00 33.50 32.05 1ugj n PRO 8 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ugj n ARG 9 N -3.99 0.49 -3.69 0.54 5.12 -1.26 -5.17 116.66 108.70 1ugj n ARG 9 Ca 0.14 -3.20 -0.14 0.00 -1.93 0.00 0.00 57.85 52.72 1ugj n ARG 9 Cb 0.52 2.15 -0.09 0.00 -1.16 0.00 0.00 32.46 33.88 1ugj n ARG 9 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1ugj s LEU 10 N 0.00 0.12 -0.05 0.55 1.43 -1.26 -5.17 118.68 114.31 1ugj s LEU 10 Ca 0.28 0.85 -0.31 0.00 -1.03 0.00 0.00 54.13 53.92 1ugj s LEU 10 Cb 0.01 1.73 0.12 0.00 0.03 0.00 0.00 46.19 48.08 1ugj s LEU 10 CO 0.20 -0.25 1.21 -0.31 0.23 0.00 0.00 176.35 177.42 1ugj s TYR 11 N -0.09 -0.09 -0.28 0.29 2.02 -1.26 -5.15 117.35 112.79 1ugj s TYR 11 Ca -0.03 -0.02 -0.25 0.00 -0.37 0.00 0.00 57.07 56.40 1ugj s TYR 11 Cb -0.03 0.55 0.15 0.00 -0.40 0.00 0.00 41.96 42.22 1ugj s TYR 11 CO 0.02 -0.33 1.17 0.21 -1.57 0.00 0.00 175.55 175.05 1ugj s LYS 12 N -2.56 0.35 0.64 -0.62 2.20 -1.26 -5.15 119.74 113.34 1ugj s LYS 12 Ca 0.12 0.39 -0.17 0.00 -0.36 0.00 0.00 55.97 55.95 1ugj s LYS 12 Cb 0.02 0.17 -0.14 0.00 -1.51 0.00 0.00 37.83 36.37 1ugj s LYS 12 CO -0.04 -0.05 -0.34 0.39 -0.36 0.00 0.00 175.35 174.96 1ugj n GLU 13 N 1.89 0.00 -1.54 4.03 1.02 -1.26 -4.92 120.64 119.87 1ugj n GLU 13 Ca -0.11 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.74 1ugj n GLU 13 Cb 0.56 -0.96 0.14 0.00 -0.02 0.00 0.00 31.44 31.17 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 1.06 -0.30 3.49 0.04 -1.26 -5.08 135.00 131.66 1ugj s PRO 14 Ca 0.49 0.25 -0.18 0.00 0.04 0.00 0.00 61.00 61.60 1ugj s PRO 14 Cb -0.38 -1.83 0.19 0.00 0.04 0.00 0.00 34.50 32.52 1ugj s PRO 14 CO 0.69 -2.25 1.24 0.45 0.04 0.00 0.00 177.00 177.17 1ugj s SER 15 N -4.06 -0.13 -0.31 6.66 0.15 -1.26 -5.10 113.70 109.64 1ugj s SER 15 Ca 0.64 0.14 -0.30 0.00 0.70 0.00 0.00 55.95 57.13 1ugj s SER 15 Cb -0.14 1.13 -0.08 0.00 -1.71 0.00 0.00 66.02 65.22 1ugj s SER 15 CO 0.53 -0.02 2.25 0.00 1.20 0.00 0.00 173.24 177.20 1ugj n ALA 16 N 4.87 1.41 -2.56 5.45 0.00 -1.26 -4.72 120.51 123.70 1ugj n ALA 16 Ca -0.07 -0.27 0.01 0.00 0.00 0.00 0.00 53.44 53.10 1ugj n ALA 16 Cb 0.55 -2.82 0.03 0.00 0.00 0.00 0.00 19.45 17.21 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 8.61 0.64 -1.66 0.00 5.02 -1.26 -5.10 118.16 124.41 1ugj n LYS 17 Ca 0.35 -2.29 -0.48 0.00 -2.02 0.00 0.00 58.31 53.87 1ugj n LYS 17 Cb 0.38 -0.41 -0.05 0.00 -0.02 0.00 0.00 35.03 34.93 1ugj n LYS 17 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1ugj n SER 18 N -0.06 2.88 -2.40 4.39 7.64 -1.26 -4.88 113.62 119.94 1ugj n SER 18 Ca 0.00 1.06 -0.28 0.00 1.01 0.00 0.00 58.87 60.66 1ugj n SER 18 Cb 0.97 -1.35 0.01 0.00 -1.01 0.00 0.00 64.21 62.83 1ugj n SER 18 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1ugj n ASN 19 N 4.24 5.23 -0.07 6.43 6.94 -0.74 -4.73 115.26 132.55 1ugj n ASN 19 Ca 0.19 -3.74 -0.13 0.00 -0.02 0.00 0.00 54.58 50.87 1ugj n ASN 19 Cb 0.26 -0.52 -0.11 0.00 -2.36 0.00 0.00 39.78 37.05 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 2.49 0.00 0.00 -3.83 3.64 -1.88 -3.16 116.57 113.83 1ugj h LYS 20 Ca 0.36 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1ugj h LYS 20 Cb 0.98 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 1ugj h LYS 20 CO 0.93 0.88 0.00 0.74 -2.27 0.00 0.00 179.45 179.72 1ugj h PHE 21 N -1.00 0.00 0.00 1.91 -1.00 -1.91 0.19 116.94 115.14 1ugj h PHE 21 Ca -0.05 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.63 1ugj h PHE 21 Cb 0.93 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.47 1ugj h PHE 21 CO 0.22 0.00 -0.50 0.82 -1.61 0.00 0.00 178.31 177.24 1ugj h ILE 22 N 0.00 0.79 0.03 -0.55 2.04 -1.90 -3.28 117.51 114.64 1ugj h ILE 22 Ca 0.00 -2.12 -0.16 0.00 1.00 0.00 0.00 64.86 63.58 1ugj h ILE 22 Cb 0.08 2.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 1ugj h ILE 22 CO 0.00 0.45 -0.83 0.40 0.00 0.00 0.00 178.15 178.16 1ugj h ILE 23 N 0.00 1.28 -0.99 -0.67 1.08 -0.66 -2.84 117.51 114.70 1ugj h ILE 23 Ca -0.01 -2.31 0.31 0.00 -0.39 0.00 0.00 64.86 62.47 1ugj h ILE 23 Cb 1.36 2.79 -0.18 0.00 -3.07 0.00 0.00 36.82 37.72 1ugj h ILE 23 CO 0.06 0.52 0.16 1.57 -0.69 0.00 0.00 178.15 179.78 1ugj n HIS 24 N -4.36 0.78 -0.04 1.37 -0.00 -0.25 0.71 115.22 113.43 1ugj n HIS 24 Ca -0.22 1.18 -0.14 0.00 0.46 0.00 0.00 57.72 59.01 1ugj n HIS 24 Cb 0.67 -1.33 -0.11 0.00 -0.12 0.00 0.00 29.99 29.09 1ugj n HIS 24 CO 0.00 0.00 0.00 -0.91 0.46 0.00 0.00 176.34 175.89 1ugj h ASN 25 N 0.00 0.06 -1.60 0.26 2.35 -1.69 -3.06 115.58 111.90 1ugj h ASN 25 Ca 0.67 -0.71 0.46 0.00 -0.55 0.00 0.00 56.30 56.17 1ugj h ASN 25 Cb 1.51 -0.02 -0.06 0.00 0.05 0.00 0.00 38.32 39.80 1ugj h ASN 25 CO -0.88 0.76 1.25 0.00 -1.65 0.00 0.00 177.43 176.91 1ugj h ALA 26 N 0.30 3.51 0.03 -0.83 0.00 0.55 1.74 119.26 124.56 1ugj h ALA 26 Ca -0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ugj h ALA 26 Cb 0.77 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1ugj h ALA 26 CO 0.01 -2.08 -0.02 -0.07 0.00 0.00 0.00 179.25 177.10 1ugj h LEU 27 N 0.00 -0.04 0.00 0.00 3.38 -0.81 -2.09 115.31 115.75 1ugj h LEU 27 Ca 0.76 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1ugj h LEU 27 Cb 3.25 0.01 0.00 0.00 0.09 0.00 0.00 40.66 44.01 1ugj h LEU 27 CO -0.01 0.70 0.00 -1.20 0.09 0.00 0.00 178.44 178.02 1ugj n SER 28 N -4.75 0.00 -0.05 -0.43 7.64 0.46 0.20 113.62 116.69 1ugj n SER 28 Ca -0.09 -0.75 -0.18 0.00 1.01 0.00 0.00 58.87 58.87 1ugj n SER 28 Cb 0.34 -0.03 -0.13 0.00 -1.01 0.00 0.00 64.21 63.39 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 0.14 0.00 1.43 3.86 0.20 -3.44 115.15 117.34 1ugj h HIS 29 Ca 0.00 -0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 1ugj h HIS 29 Cb 0.02 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.49 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 -5.44 1.49 -4.46 0.00 4.77 0.40 -2.90 117.00 110.86 1ugj n LEU 32 Ca 0.22 -3.25 -0.33 0.00 -0.03 0.00 0.00 56.01 52.61 1ugj n LEU 32 Cb 0.71 0.46 -0.13 0.00 -2.33 0.00 0.00 43.42 42.13 1ugj n LEU 32 CO -0.04 1.21 -0.41 0.00 -1.33 0.00 0.00 177.39 176.82 1ugj s ALA 33 N -3.54 2.78 0.00 -1.18 0.00 0.13 -4.38 121.76 115.57 1ugj s ALA 33 Ca 0.27 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.34 1ugj s ALA 33 Cb 0.37 -1.25 0.00 0.00 0.00 0.00 0.00 23.12 22.24 1ugj s ALA 33 CO -0.01 0.35 0.00 0.41 0.00 0.00 0.00 175.76 176.51 1ugj n GLY 34 N 3.08 2.76 0.23 0.00 0.00 -1.26 -4.73 105.19 105.25 1ugj n GLY 34 Ca -0.18 -1.85 -0.10 0.00 0.00 0.00 0.00 46.02 43.89 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 0.63 -0.28 1.61 3.64 -1.96 1.43 116.57 121.64 1ugj h LYS 35 Ca 0.00 -0.37 -0.04 0.00 -1.27 0.00 0.00 60.65 58.97 1ugj h LYS 35 Cb 0.00 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1ugj h LYS 35 CO 0.00 0.98 -0.01 -0.39 -2.27 0.00 0.00 179.45 177.76 1ugj h VAL 36 N 0.49 1.17 -0.14 2.00 -1.51 -1.99 -2.21 116.25 114.07 1ugj h VAL 36 Ca 0.02 -0.69 -0.05 0.00 -1.23 0.00 0.00 66.70 64.76 1ugj h VAL 36 Cb 1.03 0.97 -0.03 0.00 -2.13 0.00 0.00 31.29 31.14 1ugj h VAL 36 CO 0.10 0.23 -0.15 -0.46 -1.23 0.00 0.00 177.57 176.06 1ugj n ASN 37 N -4.31 2.50 0.05 4.19 0.23 -1.04 -4.63 115.26 112.26 1ugj n ASN 37 Ca 0.01 -3.47 -0.20 0.00 -0.53 0.00 0.00 54.58 50.39 1ugj n ASN 37 Cb 0.22 -0.53 -0.13 0.00 -2.08 0.00 0.00 39.78 37.26 1ugj n ASN 37 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1ugj h GLU 38 N 0.86 0.44 -0.04 -3.83 4.81 0.26 -0.92 114.58 116.16 1ugj h GLU 38 Ca 0.06 -0.60 -0.23 0.00 -0.13 0.00 0.00 59.36 58.46 1ugj h GLU 38 Cb 1.26 0.20 0.01 0.00 0.63 0.00 0.00 28.75 30.85 1ugj h GLU 38 CO 0.14 1.25 -0.90 -1.00 -0.73 0.00 0.00 179.01 177.77 1ugj h PRO 39 N -0.08 0.54 -0.09 0.92 0.13 -1.82 -3.26 132.00 128.34 1ugj h PRO 39 Ca -0.14 -0.53 -0.05 0.00 -0.87 0.00 0.00 66.00 64.41 1ugj h PRO 39 Cb 1.64 0.14 -0.00 0.00 0.13 0.00 0.00 31.00 32.91 1ugj h PRO 39 CO 0.17 1.16 -0.15 0.37 -0.23 0.00 0.00 178.00 179.32 1ugj h GLN 40 N 0.33 0.27 -0.98 0.86 4.15 -1.84 -3.17 115.11 114.73 1ugj h GLN 40 Ca -0.08 -0.17 0.10 0.00 0.77 0.00 0.00 58.65 59.27 1ugj h GLN 40 Cb 1.53 0.02 -0.12 0.00 0.21 0.00 0.00 27.48 29.11 1ugj h GLN 40 CO 0.17 0.74 -0.55 1.17 -1.93 0.00 0.00 178.83 178.42 1ugj n LYS 41 N -4.58 -0.41 -0.25 1.69 4.81 -0.35 0.16 118.16 119.22 1ugj n LYS 41 Ca -0.07 1.49 0.06 0.00 -0.87 0.00 0.00 58.31 58.91 1ugj n LYS 41 Cb 0.38 -2.19 0.18 0.00 0.02 0.00 0.00 35.03 33.42 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 -0.02 0.13 3.14 2.35 -1.61 1.71 115.58 121.28 1ugj h ASN 42 Ca 0.18 0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 56.06 1ugj h ASN 42 Cb 0.43 0.22 -0.00 0.00 0.05 0.00 0.00 38.32 39.01 1ugj h ASN 42 CO -0.93 -0.06 -0.11 0.03 -1.65 0.00 0.00 177.43 174.71 1ugj h ARG 43 N 0.25 0.00 0.15 0.81 2.47 0.15 0.94 114.38 119.15 1ugj h ARG 43 Ca 0.42 0.00 -0.24 0.00 -1.26 0.00 0.00 59.98 58.90 1ugj h ARG 43 Cb 0.73 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.07 1ugj h ARG 43 CO -0.53 0.11 -1.13 0.82 0.56 0.00 0.00 179.97 179.80 1ugj h ILE 44 N 0.00 1.30 -0.85 2.04 1.08 0.62 -2.41 117.51 119.29 1ugj h ILE 44 Ca -0.00 -2.51 0.05 0.00 -0.39 0.00 0.00 64.86 62.01 1ugj h ILE 44 Cb 0.21 3.00 -0.06 0.00 -3.07 0.00 0.00 36.82 36.90 1ugj h ILE 44 CO 0.01 0.73 0.54 -0.07 -0.69 0.00 0.00 178.15 178.67 1ugj h LEU 45 N -0.28 0.87 0.64 1.44 3.38 0.25 -2.05 115.31 119.56 1ugj h LEU 45 Ca -0.22 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 1ugj h LEU 45 Cb 1.76 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 42.33 1ugj h LEU 45 CO 0.13 0.58 -0.31 -0.33 0.09 0.00 0.00 178.44 178.61 1ugj h GLU 46 N 1.02 -0.83 -0.89 1.13 4.39 -0.92 -1.90 114.58 116.58 1ugj h GLU 46 Ca 0.35 0.06 0.27 0.00 0.34 0.00 0.00 59.36 60.38 1ugj h GLU 46 Cb 0.08 0.19 -0.17 0.00 -0.10 0.00 0.00 28.75 28.76 1ugj h GLU 46 CO -0.14 -0.54 0.10 0.39 -1.16 0.00 0.00 179.01 177.66 1ugj n GLU 47 N -5.35 -0.07 0.02 2.33 -0.58 -0.91 0.19 120.64 116.27 1ugj n GLU 47 Ca -0.11 1.32 -0.13 0.00 -0.42 0.00 0.00 57.16 57.82 1ugj n GLU 47 Cb 0.35 -2.14 -0.09 0.00 -0.57 0.00 0.00 31.44 29.00 1ugj n GLU 47 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1ugj h ILE 48 N 0.00 1.19 0.00 -3.67 2.04 -1.32 0.47 117.51 116.22 1ugj h ILE 48 Ca 0.58 -0.61 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 1ugj h ILE 48 Cb 1.27 1.61 -0.00 0.00 -0.74 0.00 0.00 36.82 38.95 1ugj h ILE 48 CO -0.81 0.16 -0.07 -0.33 0.00 0.00 0.00 178.15 177.09 1ugj h GLU 49 N -0.27 0.00 0.00 2.37 4.39 0.26 0.73 114.58 122.06 1ugj h GLU 49 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ugj h GLU 49 Cb 0.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1ugj h GLU 49 CO 0.00 0.07 -0.50 1.57 -1.16 0.00 0.00 179.01 179.00 1ugj h LYS 50 N 0.00 0.00 -6.37 2.33 2.10 0.26 -3.45 116.57 111.44 1ugj h LYS 50 Ca -0.00 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 58.11 1ugj h LYS 50 Cb 0.15 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.45 1ugj h LYS 50 CO 0.01 0.00 0.14 0.45 -2.00 0.00 0.00 179.45 178.05 1ugj s SER 51 N -5.64 7.26 -0.19 7.07 0.15 0.16 -4.94 113.70 117.57 1ugj s SER 51 Ca 0.04 1.50 0.07 0.00 0.70 0.00 0.00 55.95 58.25 1ugj s SER 51 Cb 0.08 -2.47 0.48 0.00 -1.71 0.00 0.00 66.02 62.40 1ugj s SER 51 CO 0.73 0.12 1.37 0.29 1.20 0.00 0.00 173.24 176.94 1ugj n LYS 52 N 2.24 2.87 -3.23 5.44 4.01 -1.26 -4.89 118.16 123.33 1ugj n LYS 52 Ca -0.05 -1.92 -0.29 0.00 -0.51 0.00 0.00 58.31 55.55 1ugj n LYS 52 Cb 0.50 -1.89 -0.03 0.00 -0.51 0.00 0.00 35.03 33.09 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 -2.07 3.57 -0.04 7.82 0.00 -1.26 -5.00 121.76 124.78 1ugj s ALA 53 Ca 0.34 -0.51 0.09 0.00 0.00 0.00 0.00 51.96 51.88 1ugj s ALA 53 Cb 0.27 -2.37 -0.14 0.00 0.00 0.00 0.00 23.12 20.88 1ugj s ALA 53 CO 0.09 0.17 0.22 0.27 0.00 0.00 0.00 175.76 176.50 1ugj n ASN 54 N -1.08 2.70 -4.26 0.00 0.23 -1.26 -4.94 115.26 106.65 1ugj n ASN 54 Ca -0.01 -0.05 -0.34 0.00 -0.53 0.00 0.00 54.58 53.66 1ugj n ASN 54 Cb 0.54 1.40 -0.15 0.00 -2.08 0.00 0.00 39.78 39.49 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 -2.60 2.83 -0.03 -2.53 5.04 -1.26 -1.80 115.29 114.94 1ugj s HIS 55 Ca -0.03 -1.08 0.03 0.00 -1.54 0.00 0.00 55.06 52.44 1ugj s HIS 55 Cb 0.06 -1.94 -0.00 0.00 0.04 0.00 0.00 32.58 30.74 1ugj s HIS 55 CO 0.39 -0.52 -0.12 -0.06 -2.34 0.00 0.00 174.74 172.09 1ugj s PHE 56 N 1.01 1.17 0.29 3.88 0.40 -1.26 -1.25 117.98 122.22 1ugj s PHE 56 Ca -0.01 -0.29 0.10 0.00 -0.60 0.00 0.00 56.93 56.13 1ugj s PHE 56 Cb -0.15 -0.80 -0.05 0.00 0.51 0.00 0.00 43.02 42.53 1ugj s PHE 56 CO -0.03 -0.10 -0.08 -0.51 0.70 0.00 0.00 175.22 175.21 1ugj s LEU 57 N 0.06 2.89 -0.10 -0.37 1.02 0.55 -4.71 118.68 118.02 1ugj s LEU 57 Ca -0.02 -0.91 0.02 0.00 0.02 0.00 0.00 54.13 53.25 1ugj s LEU 57 Cb -0.08 -1.35 -0.01 0.00 0.02 0.00 0.00 46.19 44.76 1ugj s LEU 57 CO 0.01 -0.05 -0.18 -0.63 0.02 0.00 0.00 176.35 175.52 1ugj s ILE 58 N -2.46 2.67 -0.16 -0.59 1.01 -1.25 -1.96 121.20 118.47 1ugj s ILE 58 Ca 0.32 -0.81 -0.18 0.00 0.00 0.00 0.00 60.65 59.98 1ugj s ILE 58 Cb -0.04 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.32 1ugj s ILE 58 CO 0.18 0.55 0.47 -0.22 0.00 0.00 0.00 174.94 175.91 1ugj s LEU 59 N 0.12 4.22 0.54 2.97 2.96 0.22 -2.51 118.68 127.20 1ugj s LEU 59 Ca -0.09 0.72 0.07 0.00 -0.22 0.00 0.00 54.13 54.61 1ugj s LEU 59 Cb -0.15 -2.66 0.05 0.00 0.50 0.00 0.00 46.19 43.93 1ugj s LEU 59 CO 0.05 -0.06 0.53 -0.36 -1.32 0.00 0.00 176.35 175.19 1ugj s PHE 60 N 1.00 1.70 -0.65 5.38 0.08 -1.25 0.19 117.98 124.42 1ugj s PHE 60 Ca 0.24 -0.76 -0.02 0.00 0.12 0.00 0.00 56.93 56.51 1ugj s PHE 60 Cb -0.15 -2.04 0.40 0.00 -0.57 0.00 0.00 43.02 40.66 1ugj s PHE 60 CO 0.09 -0.65 2.05 -2.13 -0.10 0.00 0.00 175.22 174.49 1ugj n ARG 61 N -1.89 2.60 0.00 0.44 0.00 -1.26 -4.80 116.66 111.75 1ugj n ARG 61 Ca 0.05 -3.12 0.00 0.00 -0.00 0.00 0.00 57.85 54.78 1ugj n ARG 61 Cb 0.63 -2.21 0.00 0.00 0.00 0.00 0.00 32.46 30.88 1ugj n ARG 61 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1ugj n ASP 62 N -0.70 0.00 -3.64 6.15 2.03 -1.26 -4.69 116.55 114.44 1ugj n ASP 62 Ca 0.58 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.87 1ugj n ASP 62 Cb 0.59 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.95 1ugj n ASP 62 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1ugj s SER 63 N 0.00 -1.10 0.00 1.67 0.01 -1.26 -4.97 113.70 108.05 1ugj s SER 63 Ca 0.00 1.55 0.00 0.00 1.31 0.00 0.00 55.95 58.81 1ugj s SER 63 Cb 0.00 2.11 0.00 0.00 0.21 0.00 0.00 66.02 68.34 1ugj s SER 63 CO 0.00 -0.22 0.00 -1.20 0.41 0.00 0.00 173.24 172.23 1ugj n SER 64 N 5.21 0.00 -1.74 2.44 7.64 -1.26 -4.97 113.62 120.94 1ugj n SER 64 Ca -0.14 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.70 1ugj n SER 64 Cb 0.51 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.73 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 -3.94 0.41 -0.00 0.00 -0.21 -1.26 -4.81 119.66 109.85 1ugj s GLN 66 Ca 0.05 -0.09 -0.39 0.00 0.02 0.00 0.00 55.36 54.95 1ugj s GLN 66 Cb -0.01 -1.53 -0.18 0.00 1.00 0.00 0.00 33.01 32.30 1ugj s GLN 66 CO 0.18 -0.51 1.31 0.34 -2.12 0.00 0.00 175.29 174.49 1ugj n PHE 67 N 5.16 1.32 0.05 0.91 -0.00 -1.14 -4.08 117.46 119.67 1ugj n PHE 67 Ca -0.07 0.78 0.04 0.00 -0.00 0.00 0.00 57.45 58.19 1ugj n PHE 67 Cb 0.49 -2.27 -0.05 0.00 -0.00 0.00 0.00 39.48 37.65 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 2.57 0.93 0.00 -4.13 5.12 0.50 -4.98 116.66 116.67 1ugj n ARG 68 Ca 0.20 -0.06 0.00 0.00 -1.93 0.00 0.00 57.85 56.07 1ugj n ARG 68 Cb 0.14 -1.12 0.00 0.00 -1.16 0.00 0.00 32.46 30.32 1ugj n ARG 68 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ugj n ALA 69 N -1.66 0.00 -2.87 7.54 0.00 -1.21 -4.02 120.51 118.29 1ugj n ALA 69 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.15 1ugj n ALA 69 Cb 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.58 1ugj n ALA 69 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1ugj s LEU 70 N 0.00 4.11 -0.00 0.00 2.96 -0.93 -0.61 118.68 124.21 1ugj s LEU 70 Ca 0.00 0.08 -0.15 0.00 -0.22 0.00 0.00 54.13 53.84 1ugj s LEU 70 Cb 0.00 -2.71 0.02 0.00 0.50 0.00 0.00 46.19 44.00 1ugj s LEU 70 CO 0.00 0.10 0.31 -0.31 -1.32 0.00 0.00 176.35 175.13 1ugj s TYR 71 N -1.64 -0.17 -0.13 5.38 1.51 -0.83 -1.74 117.35 119.74 1ugj s TYR 71 Ca 0.33 0.20 -0.02 0.00 -1.01 0.00 0.00 57.07 56.57 1ugj s TYR 71 Cb -0.11 0.10 -0.02 0.00 -0.11 0.00 0.00 41.96 41.81 1ugj s TYR 71 CO 0.26 -0.42 -0.07 0.95 -1.11 0.00 0.00 175.55 175.16 1ugj s THR 72 N -1.62 3.62 0.05 -0.71 -4.23 -0.76 -0.33 115.64 111.66 1ugj s THR 72 Ca -0.12 -0.47 -0.27 0.00 -1.18 0.00 0.00 61.69 59.65 1ugj s THR 72 Cb -0.04 -2.54 -0.05 0.00 1.34 0.00 0.00 72.50 71.21 1ugj s THR 72 CO 0.03 0.53 0.84 -0.22 -0.54 0.00 0.00 174.62 175.26 1ugj s LEU 73 N 0.07 4.45 -0.28 4.79 2.96 -0.38 -1.36 118.68 128.93 1ugj s LEU 73 Ca -0.02 1.56 -0.22 0.00 -0.22 0.00 0.00 54.13 55.22 1ugj s LEU 73 Cb -0.14 -3.36 -0.01 0.00 0.50 0.00 0.00 46.19 43.18 1ugj s LEU 73 CO 0.03 -0.05 0.73 -0.44 -1.32 0.00 0.00 176.35 175.31 1ugj s SER 74 N 0.14 6.64 0.62 3.68 0.01 -0.98 -4.62 113.70 119.20 1ugj s SER 74 Ca 0.42 0.69 0.41 0.00 1.31 0.00 0.00 55.95 58.79 1ugj s SER 74 Cb -0.21 -2.38 2.10 0.00 0.21 0.00 0.00 66.02 65.73 1ugj s SER 74 CO 0.25 -0.52 2.24 1.23 0.41 0.00 0.00 173.24 176.85 1ugj h GLY 75 N 9.25 0.00 2.00 3.44 0.00 -1.95 -0.68 103.07 115.13 1ugj h GLY 75 Ca -0.25 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.92 1ugj h GLY 75 CO 0.84 0.00 -0.75 1.05 0.00 0.00 0.00 176.54 177.68 1ugj h GLU 76 N 0.00 0.00 0.00 4.80 4.11 -1.97 -3.47 114.58 118.05 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 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1ugj h GLU 76 CO 0.00 0.75 0.00 0.25 0.07 0.00 0.00 179.01 180.08 1ugj n THR 77 N -3.57 0.00 -0.20 -1.06 -2.24 -0.26 -5.06 114.28 101.89 1ugj n THR 77 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ugj n THR 77 Cb 0.75 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 1ugj n THR 77 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ugj n GLU 78 N 0.00 0.10 -1.55 -0.78 1.02 -1.25 -4.56 120.64 113.61 1ugj n GLU 78 Ca 0.00 -0.33 -0.30 0.00 -0.02 0.00 0.00 57.16 56.51 1ugj n GLU 78 Cb 0.00 -0.82 0.08 0.00 -0.02 0.00 0.00 31.44 30.68 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 -0.11 2.35 -0.04 3.49 8.01 -1.26 -4.54 118.70 126.60 1ugj s GLU 79 Ca 0.00 0.74 0.05 0.00 0.01 0.00 0.00 54.97 55.78 1ugj s GLU 79 Cb 0.00 -1.94 -0.01 0.00 -4.31 0.00 0.00 34.13 27.87 1ugj s GLU 79 CO 0.00 -1.46 -0.20 -0.51 0.01 0.00 0.00 175.26 173.10 1ugj s LEU 80 N -5.71 1.99 0.00 1.80 1.43 0.21 -2.31 118.68 116.09 1ugj s LEU 80 Ca 0.60 -0.40 -0.05 0.00 -1.03 0.00 0.00 54.13 53.25 1ugj s LEU 80 Cb -0.14 -1.09 -0.05 0.00 0.03 0.00 0.00 46.19 44.94 1ugj s LEU 80 CO 0.54 0.21 0.24 -0.55 0.23 0.00 0.00 176.35 177.02 1ugj s SER 81 N -0.17 6.45 -0.55 2.29 0.15 -0.46 0.39 113.70 121.80 1ugj s SER 81 Ca -0.00 0.49 -0.27 0.00 0.70 0.00 0.00 55.95 56.86 1ugj s SER 81 Cb -0.11 -2.06 -0.00 0.00 -1.71 0.00 0.00 66.02 62.14 1ugj s SER 81 CO 0.02 0.26 1.60 -0.60 1.20 0.00 0.00 173.24 175.72 1ugj s ARG 82 N -1.81 3.09 -0.03 5.44 3.52 0.17 -1.82 118.95 127.50 1ugj s ARG 82 Ca 0.27 0.61 -0.13 0.00 -0.13 0.00 0.00 55.73 56.34 1ugj s ARG 82 Cb -0.13 -4.22 -0.07 0.00 -1.56 0.00 0.00 34.95 28.97 1ugj s ARG 82 CO 0.17 -2.19 0.63 1.25 -0.81 0.00 0.00 175.30 174.35 1ugj h LEU 83 N 14.23 -0.41 -8.03 -0.88 5.85 -1.66 -3.49 115.31 120.92 1ugj h LEU 83 Ca -0.28 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 1ugj h LEU 83 Cb 1.12 0.11 -0.08 0.00 0.37 0.00 0.00 40.66 42.18 1ugj h LEU 83 CO 1.17 -0.06 0.04 0.00 -0.34 0.00 0.00 178.44 179.26 1ugj s ALA 84 N -3.85 -0.75 0.00 1.25 0.00 -1.18 -5.02 121.76 112.22 1ugj s ALA 84 Ca -0.07 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.36 1ugj s ALA 84 Cb 0.01 0.94 0.00 0.00 0.00 0.00 0.00 23.12 24.07 1ugj s ALA 84 CO 0.21 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.47 1ugj n GLY 85 N -0.40 0.55 3.29 0.00 0.00 -1.26 -2.19 105.19 105.18 1ugj n GLY 85 Ca -0.04 -1.45 0.03 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.32 -0.31 1.61 6.14 -1.26 -5.08 117.35 117.14 1ugj s TYR 86 Ca 0.00 1.65 0.00 0.00 0.64 0.00 0.00 57.07 59.36 1ugj s TYR 86 Cb 0.00 0.56 0.00 0.00 0.42 0.00 0.00 41.96 42.94 1ugj s TYR 86 CO 0.00 -0.70 0.00 0.41 0.64 0.00 0.00 175.55 175.90 1ugj n GLY 87 N 5.40 -0.83 3.68 8.97 0.00 -1.26 -4.85 105.19 116.29 1ugj n GLY 87 Ca -0.05 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.14 4.29 0.31 1.61 0.04 -1.26 -4.89 135.00 134.95 1ugj s PRO 88 Ca 0.00 1.69 0.11 0.00 0.04 0.00 0.00 61.00 62.84 1ugj s PRO 88 Cb 0.00 -3.65 0.97 0.00 0.04 0.00 0.00 34.50 31.86 1ugj s PRO 88 CO 0.00 -0.57 1.40 -2.13 0.04 0.00 0.00 177.00 175.73 1ugj n ARG 89 N 5.85 -0.06 -4.18 4.56 0.63 -1.26 -4.45 116.66 117.75 1ugj n ARG 89 Ca 0.12 1.27 -0.11 0.00 -0.92 0.00 0.00 57.85 58.21 1ugj n ARG 89 Cb 0.45 -2.16 -0.10 0.00 0.45 0.00 0.00 32.46 31.10 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 -5.57 0.15 0.05 5.15 2.01 -1.26 0.41 115.64 116.58 1ugj s THR 90 Ca -0.10 -1.95 0.03 0.00 0.31 0.00 0.00 61.69 59.98 1ugj s THR 90 Cb 0.28 -2.22 -0.03 0.00 0.01 0.00 0.00 72.50 70.54 1ugj s THR 90 CO 0.69 -0.30 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.55 1ugj s VAL 91 N -4.03 0.64 0.25 3.82 1.01 0.16 -4.95 120.40 117.31 1ugj s VAL 91 Ca 0.29 -1.15 0.08 0.00 0.00 0.00 0.00 61.98 61.20 1ugj s VAL 91 Cb 0.07 -0.72 -0.05 0.00 0.00 0.00 0.00 36.38 35.68 1ugj s VAL 91 CO 0.06 -0.37 -0.11 0.42 0.00 0.00 0.00 175.10 175.10 1ugj s THR 92 N -1.43 1.76 -1.43 3.92 -4.23 -1.26 -0.62 115.64 112.34 1ugj s THR 92 Ca -0.08 -2.19 0.23 0.00 -1.18 0.00 0.00 61.69 58.47 1ugj s THR 92 Cb -0.10 -2.27 0.39 0.00 1.34 0.00 0.00 72.50 71.87 1ugj s THR 92 CO 0.01 -0.43 1.74 -0.81 -0.54 0.00 0.00 174.62 174.59 1ugj n PRO 93 N -0.50 0.32 0.08 3.99 -0.04 -1.26 -2.10 135.00 135.49 1ugj n PRO 93 Ca -0.06 0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.59 1ugj n PRO 93 Cb 0.62 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.69 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 3.07 0.57 0.00 0.55 0.00 -1.96 -3.32 119.26 118.17 1ugj h ALA 94 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1ugj h ALA 94 Cb 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1ugj h ALA 94 CO 0.00 0.00 -2.02 -1.33 0.00 0.00 0.00 179.25 175.90 1ugj n MET 95 N -2.34 0.79 -1.78 0.00 2.81 -0.89 -4.97 117.12 110.74 1ugj n MET 95 Ca 0.02 -0.11 -0.41 0.00 -1.81 0.00 0.00 57.70 55.39 1ugj n MET 95 Cb 0.48 -1.46 -0.00 0.00 -0.71 0.00 0.00 33.22 31.53 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 -2.37 1.87 -0.09 2.03 3.14 -0.95 0.13 118.33 122.11 1ugj n VAL 96 Ca -0.14 -0.47 -0.19 0.00 -2.96 0.00 0.00 64.34 60.59 1ugj n VAL 96 Cb 0.73 -2.00 -0.06 0.00 -1.06 0.00 0.00 33.84 31.45 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 0.66 0.38 -4.16 1.45 4.07 0.32 -4.69 120.64 118.67 1ugj n GLU 97 Ca 0.02 0.16 -0.11 0.00 -0.06 0.00 0.00 57.16 57.17 1ugj n GLU 97 Cb 0.39 -1.13 -0.10 0.00 -0.06 0.00 0.00 31.44 30.53 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 -5.29 0.75 -0.02 8.31 0.00 -0.76 -4.96 107.32 105.35 1ugj s GLY 98 Ca -0.25 -1.26 0.01 0.00 0.00 0.00 0.00 44.72 43.22 1ugj s GLY 98 CO 0.31 -1.36 -0.01 -0.26 0.00 0.00 0.00 173.10 171.79 1ugj s ILE 99 N -3.21 0.19 0.18 0.90 -4.36 -1.26 -0.74 121.20 112.89 1ugj s ILE 99 Ca 0.08 0.02 0.06 0.00 -0.26 0.00 0.00 60.65 60.56 1ugj s ILE 99 Cb 0.02 -0.25 -0.05 0.00 1.25 0.00 0.00 42.46 43.44 1ugj s ILE 99 CO -0.03 0.12 -0.11 -0.31 0.24 0.00 0.00 174.94 174.84 1ugj s TYR 100 N 0.68 1.47 0.40 1.37 1.51 0.19 0.12 117.35 123.09 1ugj s TYR 100 Ca -0.07 -0.69 0.03 0.00 -1.01 0.00 0.00 57.07 55.33 1ugj s TYR 100 Cb -0.10 -0.73 0.03 0.00 -0.11 0.00 0.00 41.96 41.05 1ugj s TYR 100 CO -0.01 0.19 0.22 0.36 -1.11 0.00 0.00 175.55 175.20 1ugj n LYS 101 N -0.29 0.94 -3.97 -0.62 0.00 0.50 0.75 118.16 115.47 1ugj n LYS 101 Ca -0.09 -2.63 -0.31 0.00 -0.00 0.00 0.00 58.31 55.29 1ugj n LYS 101 Cb 0.61 0.41 -0.16 0.00 -0.00 0.00 0.00 35.03 35.89 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 -2.13 2.54 -0.60 5.58 6.14 -1.26 -2.07 117.35 125.55 1ugj s TYR 102 Ca 0.17 -1.83 -0.27 0.00 0.64 0.00 0.00 57.07 55.78 1ugj s TYR 102 Cb -0.01 -1.64 -0.01 0.00 0.42 0.00 0.00 41.96 40.72 1ugj s TYR 102 CO 0.10 -0.79 1.69 -0.80 0.64 0.00 0.00 175.55 176.40 1ugj s ASN 103 N 1.35 5.60 0.00 4.32 -0.87 0.28 -4.79 114.94 120.83 1ugj s ASN 103 Ca -0.06 0.29 0.08 0.00 -1.57 0.00 0.00 52.86 51.60 1ugj s ASN 103 Cb -0.19 -2.54 0.35 0.00 -0.02 0.00 0.00 41.25 38.86 1ugj s ASN 103 CO -0.06 -2.13 1.25 -1.20 -2.57 0.00 0.00 177.10 172.39 1ugj n SER 104 N 11.49 0.66 -0.07 -1.22 7.64 -1.26 0.31 113.62 131.18 1ugj n SER 104 Ca 0.17 -1.87 -0.08 0.00 1.01 0.00 0.00 58.87 58.10 1ugj n SER 104 Cb 0.51 -0.07 -0.09 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 -0.20 2.22 -0.06 6.43 9.92 -1.26 -4.57 116.55 129.04 1ugj n ASP 105 Ca 0.07 -0.03 0.06 0.00 -0.53 0.00 0.00 54.79 54.36 1ugj n ASP 105 Cb 0.12 0.43 -0.05 0.00 -0.64 0.00 0.00 41.12 40.98 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 -2.64 2.91 -1.63 -1.24 1.74 -1.19 -4.97 116.66 109.64 1ugj n ARG 106 Ca -0.23 -0.14 -0.12 0.00 -0.77 0.00 0.00 57.85 56.59 1ugj n ARG 106 Cb 0.87 -1.07 -0.04 0.00 -1.02 0.00 0.00 32.46 31.20 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 -1.06 -0.90 -0.37 5.56 5.02 0.15 -4.98 118.16 121.58 1ugj n LYS 107 Ca 0.03 0.83 0.00 0.00 -2.02 0.00 0.00 58.31 57.15 1ugj n LYS 107 Cb 0.20 -4.90 0.00 0.00 -0.02 0.00 0.00 35.03 30.31 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 -2.50 3.31 -4.32 1.97 5.12 -0.93 -4.94 116.66 114.38 1ugj n ARG 108 Ca -0.13 0.00 -0.18 0.00 -1.93 0.00 0.00 57.85 55.61 1ugj n ARG 108 Cb 0.47 0.00 -0.14 0.00 -1.16 0.00 0.00 32.46 31.63 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 0.90 0.95 0.24 -1.55 0.08 -1.26 -0.56 117.98 116.78 1ugj s PHE 109 Ca 0.00 -0.28 0.06 0.00 0.12 0.00 0.00 56.93 56.83 1ugj s PHE 109 Cb 0.00 -0.58 -0.05 0.00 -0.57 0.00 0.00 43.02 41.81 1ugj s PHE 109 CO 0.00 -0.00 -0.08 0.99 -0.10 0.00 0.00 175.22 176.02 1ugj s THR 110 N -0.63 1.54 0.15 0.64 2.01 -0.88 -4.87 115.64 113.60 1ugj s THR 110 Ca 0.01 -2.14 0.02 0.00 0.31 0.00 0.00 61.69 59.89 1ugj s THR 110 Cb -0.06 -2.25 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 1ugj s THR 110 CO 0.00 -0.44 0.29 -1.58 -0.69 0.00 0.00 174.62 172.20 1ugj s GLN 111 N -3.72 3.45 0.01 4.92 0.74 -1.26 0.19 119.66 123.98 1ugj s GLN 111 Ca 0.26 -0.56 -0.13 0.00 0.05 0.00 0.00 55.36 54.97 1ugj s GLN 111 Cb 0.02 -2.96 -0.06 0.00 1.10 0.00 0.00 33.01 31.12 1ugj s GLN 111 CO 0.09 0.52 0.39 0.42 -0.55 0.00 0.00 175.29 176.16 1ugj s ILE 112 N -1.74 5.07 -1.76 -2.34 -1.09 0.12 -4.74 121.20 114.72 1ugj s ILE 112 Ca 0.35 0.74 0.23 0.00 -2.23 0.00 0.00 60.65 59.74 1ugj s ILE 112 Cb -0.11 -3.68 0.56 0.00 -1.58 0.00 0.00 42.46 37.65 1ugj s ILE 112 CO 0.29 0.53 1.77 -0.81 -1.23 0.00 0.00 174.94 175.49 1ugj n PRO 113 N 1.66 0.57 -4.36 2.79 -0.04 -1.26 -4.75 135.00 129.61 1ugj n PRO 113 Ca -0.13 0.03 -0.24 0.00 -0.04 0.00 0.00 63.50 63.12 1ugj n PRO 113 Cb 0.52 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.40 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 -2.24 3.09 -1.65 0.55 0.00 -1.26 -5.03 121.76 115.21 1ugj s ALA 114 Ca 0.30 -1.87 0.15 0.00 0.00 0.00 0.00 51.96 50.54 1ugj s ALA 114 Cb 0.16 -0.44 0.21 0.00 0.00 0.00 0.00 23.12 23.04 1ugj s ALA 114 CO 0.31 0.17 1.08 1.63 0.00 0.00 0.00 175.76 178.95 1ugj n LYS 115 N -0.86 1.60 -4.13 0.00 4.01 -1.26 -4.56 118.16 112.96 1ugj n LYS 115 Ca -0.05 -1.64 -0.23 0.00 -0.51 0.00 0.00 58.31 55.88 1ugj n LYS 115 Cb 0.61 -1.31 -0.06 0.00 -0.51 0.00 0.00 35.03 33.77 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 -1.16 3.52 1.09 -0.18 2.01 -1.26 -4.87 115.64 114.79 1ugj s THR 116 Ca 0.21 -1.67 -0.12 0.00 0.31 0.00 0.00 61.69 60.43 1ugj s THR 116 Cb 0.13 -3.05 0.24 0.00 0.01 0.00 0.00 72.50 69.84 1ugj s THR 116 CO 0.19 -0.28 1.06 -0.04 -0.69 0.00 0.00 174.62 174.86 1ugj s MET 117 N -3.81 -0.37 0.00 4.92 -1.94 -1.26 -5.00 119.30 111.84 1ugj s MET 117 Ca 0.35 1.05 0.00 0.00 -1.71 0.00 0.00 55.69 55.38 1ugj s MET 117 Cb -0.05 -1.60 0.00 0.00 2.01 0.00 0.00 34.83 35.19 1ugj s MET 117 CO 0.23 -3.42 0.00 0.45 -0.01 0.00 0.00 175.02 172.27 1ugj n SER 118 N -4.73 0.00 -2.72 3.03 2.88 -1.26 -5.02 113.62 105.81 1ugj n SER 118 Ca 0.06 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.42 1ugj n SER 118 Cb 0.54 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 1ugj n SER 118 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1ugj n MET 119 N -0.07 1.98 -0.97 -1.46 2.81 -1.26 -2.78 117.12 115.37 1ugj n MET 119 Ca 0.00 -1.20 -0.03 0.00 -1.81 0.00 0.00 57.70 54.66 1ugj n MET 119 Cb 0.00 -2.22 -0.02 0.00 -0.71 0.00 0.00 33.22 30.27 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 3.39 -0.56 -4.30 7.83 7.64 -1.26 -4.99 113.62 121.37 1ugj n SER 120 Ca 0.42 -1.14 -0.33 0.00 1.01 0.00 0.00 58.87 58.83 1ugj n SER 120 Cb 0.38 0.19 -0.15 0.00 -1.01 0.00 0.00 64.21 63.61 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 0.01 2.75 0.00 0.44 1.01 -1.12 -4.12 120.40 119.38 1ugj s VAL 121 Ca 0.01 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1ugj s VAL 121 Cb 0.04 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.26 1ugj s VAL 121 CO -0.01 0.52 0.91 0.47 0.00 0.00 0.00 175.10 176.99 1ugj n ASP 122 N 3.84 1.67 -3.63 3.32 9.92 0.23 -4.75 116.55 127.15 1ugj n ASP 122 Ca -0.19 -1.82 -0.05 0.00 -0.53 0.00 0.00 54.79 52.20 1ugj n ASP 122 Cb 0.52 0.00 -0.06 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 s ALA 123 N -0.82 -2.09 -0.10 2.24 0.00 -0.50 -3.77 121.76 116.72 1ugj s ALA 123 Ca 0.00 1.76 -0.15 0.00 0.00 0.00 0.00 51.96 53.57 1ugj s ALA 123 Cb 0.00 -1.42 0.03 0.00 0.00 0.00 0.00 23.12 21.73 1ugj s ALA 123 CO 0.00 -0.21 0.38 -0.59 0.00 0.00 0.00 175.76 175.34 1ugj s PHE 124 N -0.51 -0.36 -0.27 0.00 -0.71 -1.04 0.53 117.98 115.62 1ugj s PHE 124 Ca 0.05 0.79 -0.02 0.00 -1.04 0.00 0.00 56.93 56.71 1ugj s PHE 124 Cb -0.03 0.14 0.03 0.00 -1.21 0.00 0.00 43.02 41.96 1ugj s PHE 124 CO -0.08 -0.28 -0.02 0.95 -1.34 0.00 0.00 175.22 174.45 1ugj s THR 125 N -0.35 3.05 1.16 -4.49 -4.23 0.08 -3.80 115.64 107.05 1ugj s THR 125 Ca -0.05 -1.13 -0.16 0.00 -1.18 0.00 0.00 61.69 59.18 1ugj s THR 125 Cb -0.03 -2.63 0.27 0.00 1.34 0.00 0.00 72.50 71.44 1ugj s THR 125 CO 0.02 0.06 1.05 0.27 -0.54 0.00 0.00 174.62 175.49 1ugj s ILE 126 N 1.32 1.79 1.15 2.99 -4.36 -1.26 0.12 121.20 122.95 1ugj s ILE 126 Ca -0.02 0.00 -0.14 0.00 -0.26 0.00 0.00 60.65 60.23 1ugj s ILE 126 Cb -0.18 -2.32 0.27 0.00 1.25 0.00 0.00 42.46 41.48 1ugj s ILE 126 CO -0.02 0.00 1.04 -1.10 0.24 0.00 0.00 174.94 175.10 1ugj s GLN 127 N -4.95 -0.80 -0.13 0.37 -1.52 0.35 -4.32 119.66 108.66 1ugj s GLN 127 Ca 0.68 0.54 -0.10 0.00 -1.95 0.00 0.00 55.36 54.53 1ugj s GLN 127 Cb -0.18 -1.59 -0.26 0.00 -0.22 0.00 0.00 33.01 30.77 1ugj s GLN 127 CO 0.59 -3.57 0.38 0.78 -0.25 0.00 0.00 175.29 173.23 1ugj h GLY 128 N -2.50 0.27 0.77 3.09 0.00 -1.94 -3.33 103.07 99.42 1ugj h GLY 128 Ca -0.57 -0.69 0.10 0.00 0.00 0.00 0.00 47.33 46.17 1ugj h GLY 128 CO 0.50 0.61 0.52 1.12 0.00 0.00 0.00 176.54 179.28 1ugj h HIS 129 N -0.11 0.00 0.46 5.60 2.07 -1.95 -1.04 115.15 120.18 1ugj h HIS 129 Ca -0.40 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.10 1ugj h HIS 129 Cb 1.91 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.89 1ugj h HIS 129 CO 0.09 0.00 -0.30 -0.07 -3.07 0.00 0.00 177.93 174.58 1ugj h LEU 130 N 0.00 -0.75 0.20 6.12 4.07 -1.96 -2.61 115.31 120.37 1ugj h LEU 130 Ca 0.16 0.04 -0.00 0.00 0.08 0.00 0.00 57.88 58.16 1ugj h LEU 130 Cb 1.20 0.22 -0.02 0.00 1.08 0.00 0.00 40.66 43.15 1ugj h LEU 130 CO -0.00 -0.45 -0.29 -0.50 -1.08 0.00 0.00 178.44 176.12 1ugj h TRP 131 N -0.71 -0.82 -3.57 1.13 4.06 -1.41 -3.37 115.95 111.27 1ugj h TRP 131 Ca -0.06 0.01 -0.71 0.00 2.06 0.00 0.00 58.89 60.19 1ugj h TRP 131 Cb 0.57 0.33 -0.23 0.00 -1.00 0.00 0.00 29.16 28.83 1ugj h TRP 131 CO -0.04 -0.36 -0.49 1.14 -3.56 0.00 0.00 178.44 175.13 1ugj s GLN 132 N -4.56 2.91 0.10 0.49 -2.07 -0.99 -5.06 119.66 110.48 1ugj s GLN 132 Ca -0.10 -1.04 0.01 0.00 -1.82 0.00 0.00 55.36 52.42 1ugj s GLN 132 Cb 0.03 -3.79 -0.04 0.00 -1.09 0.00 0.00 33.01 28.11 1ugj s GLN 132 CO 0.34 -0.69 -0.05 0.45 -1.32 0.00 0.00 175.29 174.01 1ugj s SER 133 N 1.59 1.06 0.00 12.60 0.15 -0.99 -4.06 113.70 124.06 1ugj s SER 133 Ca 0.03 -1.03 0.00 0.00 0.70 0.00 0.00 55.95 55.65 1ugj s SER 133 Cb -0.19 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 1ugj s SER 133 CO 0.08 -0.50 0.00 2.29 1.20 0.00 0.00 173.24 176.31 1ugj n LYS 134 N -0.05 0.00 -2.91 5.44 -0.00 -1.26 -5.11 118.16 114.27 1ugj n LYS 134 Ca -0.11 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.00 1ugj n LYS 134 Cb 0.61 -0.36 0.05 0.00 -0.00 0.00 0.00 35.03 35.33 1ugj n LYS 134 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1ugj s LYS 135 N -1.68 2.42 -0.27 -1.58 2.20 -1.26 -5.13 119.74 114.44 1ugj s LYS 135 Ca 0.00 -1.31 -0.27 0.00 -0.36 0.00 0.00 55.97 54.03 1ugj s LYS 135 Cb 0.00 -2.62 0.17 0.00 -1.51 0.00 0.00 37.83 33.87 1ugj s LYS 135 CO 0.00 -0.73 1.28 0.45 -0.36 0.00 0.00 175.35 175.99 1ugj s SER 136 N -4.54 -0.16 0.09 1.43 0.15 -1.26 -5.16 113.70 104.26 1ugj s SER 136 Ca 0.60 0.25 0.02 0.00 0.70 0.00 0.00 55.95 57.52 1ugj s SER 136 Cb -0.08 0.24 -0.04 0.00 -1.71 0.00 0.00 66.02 64.43 1ugj s SER 136 CO 0.38 -0.09 -0.08 -0.83 1.20 0.00 0.00 173.24 173.82 1ugj s GLY 137 N -0.43 0.77 0.99 9.45 0.00 -1.26 -5.16 107.32 111.67 1ugj s GLY 137 Ca 0.06 -1.24 -0.15 0.00 0.00 0.00 0.00 44.72 43.39 1ugj s GLY 137 CO -0.09 -1.33 1.18 2.56 0.00 0.00 0.00 173.10 175.41 1ugj s PRO 138 N -3.29 0.45 0.00 2.90 0.04 -1.26 -5.02 135.00 128.83 1ugj s PRO 138 Ca 0.08 0.03 0.02 0.00 0.04 0.00 0.00 61.00 61.17 1ugj s PRO 138 Cb 0.01 -1.78 0.04 0.00 0.04 0.00 0.00 34.50 32.81 1ugj s PRO 138 CO -0.03 -2.61 0.85 0.43 0.04 0.00 0.00 177.00 175.68 1ugj n SER 139 N -4.00 -0.44 -0.36 6.66 7.64 -1.26 -5.14 113.62 116.71 1ugj n SER 139 Ca 0.10 -1.67 0.02 0.00 1.01 0.00 0.00 58.87 58.33 1ugj n SER 139 Cb 0.59 0.12 -0.01 0.00 -1.01 0.00 0.00 64.21 63.91 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 0.04 -1.94 0.00 6.43 2.88 -1.26 -5.35 113.62 114.43 1ugj n SER 140 Ca -0.14 0.40 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 1ugj n SER 140 Cb 0.67 -0.78 0.00 0.00 -0.75 0.00 0.00 64.21 63.35 1ugj n SER 140 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42