#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 -6.34 -3.60 1.61 2.88 -1.26 -5.10 113.62 101.82 1ugj n SER 2 Ca 0.00 1.21 -0.09 0.00 -1.33 0.00 0.00 58.87 58.66 1ugj n SER 2 Cb 0.00 -3.84 -0.05 0.00 -0.75 0.00 0.00 64.21 59.57 1ugj n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ugj s SER 3 N -0.41 -0.32 0.00 -3.46 0.15 -1.26 -5.18 113.70 103.22 1ugj s SER 3 Ca -0.02 0.40 0.00 0.00 0.70 0.00 0.00 55.95 57.02 1ugj s SER 3 Cb 0.00 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 1ugj s SER 3 CO 0.07 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1ugj n GLY 4 N 0.90 2.22 3.62 9.45 0.00 -1.26 -5.19 105.19 114.94 1ugj n GLY 4 Ca -0.09 -1.13 -0.01 0.00 0.00 0.00 0.00 46.02 44.79 1ugj n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ugj s SER 5 N 0.00 -0.02 -0.08 1.61 0.15 -1.26 -5.19 113.70 108.90 1ugj s SER 5 Ca 0.00 -0.01 -0.32 0.00 0.70 0.00 0.00 55.95 56.32 1ugj s SER 5 Cb 0.00 0.03 0.13 0.00 -1.71 0.00 0.00 66.02 64.47 1ugj s SER 5 CO 0.00 -0.05 1.33 -0.94 1.20 0.00 0.00 173.24 174.77 1ugj s SER 6 N -2.27 -0.05 -0.16 5.45 1.04 -1.26 -5.15 113.70 111.30 1ugj s SER 6 Ca 0.12 -0.07 -0.05 0.00 0.48 0.00 0.00 55.95 56.43 1ugj s SER 6 Cb 0.01 0.11 0.06 0.00 0.10 0.00 0.00 66.02 66.30 1ugj s SER 6 CO -0.03 -0.19 0.09 -0.83 0.98 0.00 0.00 173.24 173.25 1ugj s GLY 7 N -2.80 0.36 -0.92 7.32 0.00 -1.26 -5.08 107.32 104.94 1ugj s GLY 7 Ca 0.14 -0.29 -0.24 0.00 0.00 0.00 0.00 44.72 44.32 1ugj s GLY 7 CO -0.05 1.70 1.67 2.56 0.00 0.00 0.00 173.10 178.98 1ugj s PRO 8 N 2.13 3.06 -0.02 2.90 0.04 -1.26 -4.93 135.00 136.92 1ugj s PRO 8 Ca 0.02 -0.57 0.02 0.00 0.04 0.00 0.00 61.00 60.51 1ugj s PRO 8 Cb -0.16 -5.06 0.00 0.00 0.04 0.00 0.00 34.50 29.32 1ugj s PRO 8 CO -0.09 -2.72 -0.07 1.03 0.04 0.00 0.00 177.00 175.19 1ugj s ARG 9 N 6.04 0.69 -0.14 4.56 0.52 -1.26 -5.14 118.95 124.23 1ugj s ARG 9 Ca 0.57 -0.24 0.02 0.00 -0.52 0.00 0.00 55.73 55.56 1ugj s ARG 9 Cb -0.04 -0.67 0.01 0.00 0.52 0.00 0.00 34.95 34.76 1ugj s ARG 9 CO -0.02 0.11 -0.22 -0.51 0.02 0.00 0.00 175.30 174.68 1ugj s LEU 10 N 0.08 2.14 -0.48 2.53 1.02 -1.26 -5.03 118.68 117.68 1ugj s LEU 10 Ca -0.01 -0.59 0.06 0.00 0.02 0.00 0.00 54.13 53.61 1ugj s LEU 10 Cb -0.06 -1.45 0.24 0.00 0.02 0.00 0.00 46.19 44.94 1ugj s LEU 10 CO -0.00 0.09 0.89 0.00 0.02 0.00 0.00 176.35 177.35 1ugj n TYR 11 N 4.01 -3.26 -3.80 0.29 0.18 -1.26 -5.14 117.16 108.19 1ugj n TYR 11 Ca -0.20 -1.65 -0.12 0.00 1.88 0.00 0.00 57.90 57.81 1ugj n TYR 11 Cb 0.52 1.54 -0.11 0.00 -0.38 0.00 0.00 39.34 40.91 1ugj n TYR 11 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 1ugj s LYS 12 N 0.69 0.41 0.69 -3.48 1.02 -1.26 -5.14 119.74 112.67 1ugj s LYS 12 Ca 0.31 0.09 -0.17 0.00 0.02 0.00 0.00 55.97 56.22 1ugj s LYS 12 Cb 0.20 0.19 -0.10 0.00 -0.52 0.00 0.00 37.83 37.60 1ugj s LYS 12 CO -0.22 -0.08 0.09 0.39 -0.92 0.00 0.00 175.35 174.61 1ugj n GLU 13 N 2.30 0.16 -1.54 1.68 1.02 -1.26 -4.95 120.64 118.05 1ugj n GLU 13 Ca -0.17 0.07 -0.29 0.00 -0.02 0.00 0.00 57.16 56.76 1ugj n GLU 13 Cb 0.57 -1.41 0.15 0.00 -0.02 0.00 0.00 31.44 30.73 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 -2.03 0.94 -0.31 3.49 0.04 -1.26 -5.06 135.00 130.82 1ugj s PRO 14 Ca 0.58 0.20 0.01 0.00 0.04 0.00 0.00 61.00 61.84 1ugj s PRO 14 Cb -0.37 -1.82 0.10 0.00 0.04 0.00 0.00 34.50 32.44 1ugj s PRO 14 CO 0.65 -2.31 0.07 0.45 0.04 0.00 0.00 177.00 175.90 1ugj s SER 15 N -4.10 4.25 0.33 6.66 0.15 -1.26 -5.08 113.70 114.65 1ugj s SER 15 Ca 0.65 -1.77 0.00 0.00 0.70 0.00 0.00 55.95 55.53 1ugj s SER 15 Cb -0.13 -1.12 0.00 0.00 -1.71 0.00 0.00 66.02 63.05 1ugj s SER 15 CO 0.53 -0.39 0.00 0.00 1.20 0.00 0.00 173.24 174.58 1ugj n ALA 16 N 4.65 -3.30 -3.09 5.45 0.00 -1.26 -4.80 120.51 118.16 1ugj n ALA 16 Ca -0.01 0.37 -0.13 0.00 0.00 0.00 0.00 53.44 53.68 1ugj n ALA 16 Cb 0.42 -1.11 -0.12 0.00 0.00 0.00 0.00 19.45 18.64 1ugj n ALA 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1ugj s LYS 17 N -1.92 0.26 0.21 0.00 2.36 -1.26 -5.00 119.74 114.38 1ugj s LYS 17 Ca 0.00 0.26 0.00 0.00 -2.55 0.00 0.00 55.97 53.68 1ugj s LYS 17 Cb 0.00 0.12 0.00 0.00 -1.05 0.00 0.00 37.83 36.90 1ugj s LYS 17 CO 0.00 -0.03 0.00 0.43 1.55 0.00 0.00 175.35 177.30 1ugj n SER 18 N 2.89 -9.16 -1.12 1.43 7.64 -1.26 -4.89 113.62 109.16 1ugj n SER 18 Ca -0.13 1.43 -0.02 0.00 1.01 0.00 0.00 58.87 61.16 1ugj n SER 18 Cb 0.58 -5.18 0.21 0.00 -1.01 0.00 0.00 64.21 58.81 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 1.96 2.84 -0.02 6.43 6.94 -1.24 -4.66 115.26 127.50 1ugj n ASN 19 Ca 0.00 -3.58 -0.11 0.00 -0.02 0.00 0.00 54.58 50.87 1ugj n ASN 19 Cb 0.00 -0.62 -0.05 0.00 -2.36 0.00 0.00 39.78 36.76 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 1.16 0.20 0.00 -3.83 3.64 -1.86 0.23 116.57 116.11 1ugj h LYS 20 Ca 0.18 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1ugj h LYS 20 Cb 1.64 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.42 1ugj h LYS 20 CO 0.37 0.17 -0.10 0.74 -2.27 0.00 0.00 179.45 178.36 1ugj h PHE 21 N 0.18 0.00 -0.11 1.91 -1.00 -1.88 -0.35 116.94 115.68 1ugj h PHE 21 Ca 0.05 0.00 -0.23 0.00 2.81 0.00 0.00 57.97 60.60 1ugj h PHE 21 Cb 0.02 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.59 1ugj h PHE 21 CO -0.06 0.10 -0.82 0.82 -1.61 0.00 0.00 178.31 176.74 1ugj h ILE 22 N 0.00 1.28 -0.07 -0.55 2.04 -1.62 -3.16 117.51 115.43 1ugj h ILE 22 Ca -0.00 -2.02 -0.01 0.00 1.00 0.00 0.00 64.86 63.82 1ugj h ILE 22 Cb 0.22 2.09 -0.00 0.00 -0.74 0.00 0.00 36.82 38.39 1ugj h ILE 22 CO 0.01 0.64 0.00 0.40 0.00 0.00 0.00 178.15 179.20 1ugj h ILE 23 N 0.47 1.24 -0.93 -0.67 1.08 -0.14 -0.70 117.51 117.87 1ugj h ILE 23 Ca -0.07 -0.75 0.17 0.00 -0.39 0.00 0.00 64.86 63.82 1ugj h ILE 23 Cb 1.46 1.60 -0.17 0.00 -3.07 0.00 0.00 36.82 36.65 1ugj h ILE 23 CO 0.17 0.21 -0.29 0.45 -0.69 0.00 0.00 178.15 177.99 1ugj h HIS 24 N -0.15 -0.72 -0.24 1.37 3.86 -1.14 1.59 115.15 119.72 1ugj h HIS 24 Ca 0.02 0.09 -0.13 0.00 -1.16 0.00 0.00 60.37 59.20 1ugj h HIS 24 Cb 0.32 0.46 -0.01 0.00 1.06 0.00 0.00 27.41 29.24 1ugj h HIS 24 CO 0.03 -0.40 -0.38 -0.91 0.86 0.00 0.00 177.93 177.13 1ugj h ASN 25 N -0.01 0.58 -0.59 2.45 2.35 -1.49 -2.43 115.58 116.44 1ugj h ASN 25 Ca 0.40 -0.25 0.07 0.00 -0.55 0.00 0.00 56.30 55.98 1ugj h ASN 25 Cb 0.65 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.82 1ugj h ASN 25 CO -0.95 0.90 0.39 0.00 -1.65 0.00 0.00 177.43 176.12 1ugj h ALA 26 N 1.13 1.89 0.02 -0.83 0.00 0.36 1.49 119.26 123.32 1ugj h ALA 26 Ca 0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ugj h ALA 26 Cb 0.86 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1ugj h ALA 26 CO 0.07 -0.00 -0.01 -0.07 0.00 0.00 0.00 179.25 179.24 1ugj h LEU 27 N 0.51 -0.02 0.00 0.00 3.38 0.36 -2.55 115.31 116.99 1ugj h LEU 27 Ca 0.26 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1ugj h LEU 27 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1ugj h LEU 27 CO -0.08 0.58 0.00 -1.20 0.09 0.00 0.00 178.44 177.84 1ugj n SER 28 N -4.81 0.00 -0.06 -0.43 7.64 -0.69 0.23 113.62 115.49 1ugj n SER 28 Ca -0.09 -0.84 -0.18 0.00 1.01 0.00 0.00 58.87 58.78 1ugj n SER 28 Cb 0.30 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.37 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 0.11 0.00 1.43 3.86 0.23 -3.43 115.15 117.34 1ugj h HIS 29 Ca 0.00 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 1ugj h HIS 29 Cb 0.00 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1ugj h HIS 29 CO 0.00 1.23 0.00 0.00 0.86 0.00 0.00 177.93 180.02 1ugj n LEU 32 N -4.64 -0.47 -4.36 0.00 4.77 0.13 -4.61 117.00 107.84 1ugj n LEU 32 Ca 0.37 -3.52 -0.34 0.00 -0.03 0.00 0.00 56.01 52.50 1ugj n LEU 32 Cb 1.44 0.20 -0.14 0.00 -2.33 0.00 0.00 43.42 42.59 1ugj n LEU 32 CO 0.15 1.72 -0.40 0.00 -1.33 0.00 0.00 177.39 177.54 1ugj s ALA 33 N -1.23 2.79 0.00 -1.18 0.00 -0.55 -4.45 121.76 117.13 1ugj s ALA 33 Ca 0.23 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.16 1ugj s ALA 33 Cb 0.42 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 22.00 1ugj s ALA 33 CO -0.04 -0.14 0.00 0.41 0.00 0.00 0.00 175.76 175.99 1ugj n GLY 34 N 4.24 -0.66 0.11 0.00 0.00 -1.26 -4.81 105.19 102.80 1ugj n GLY 34 Ca -0.18 -1.42 -0.13 0.00 0.00 0.00 0.00 46.02 44.30 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 0.00 0.68 -0.01 1.61 3.00 -1.26 -3.14 118.16 119.04 1ugj n LYS 35 Ca 0.00 0.13 -0.08 0.00 -0.00 0.00 0.00 58.31 58.36 1ugj n LYS 35 Cb 0.00 -1.61 0.08 0.00 0.00 0.00 0.00 35.03 33.50 1ugj n LYS 35 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.40 177.01 1ugj h VAL 36 N 0.01 1.30 -0.74 3.15 -1.51 -2.00 -2.81 116.25 113.66 1ugj h VAL 36 Ca -0.48 -1.64 -0.38 0.00 -1.23 0.00 0.00 66.70 62.97 1ugj h VAL 36 Cb 2.09 1.61 -0.23 0.00 -2.13 0.00 0.00 31.29 32.63 1ugj h VAL 36 CO 0.02 0.52 0.36 0.59 -1.23 0.00 0.00 177.57 177.83 1ugj n ASN 37 N -4.01 3.22 0.12 4.19 3.02 -1.26 -4.46 115.26 116.08 1ugj n ASN 37 Ca -0.02 -3.69 -0.23 0.00 -0.03 0.00 0.00 54.58 50.60 1ugj n ASN 37 Cb 0.55 -0.76 -0.16 0.00 -0.61 0.00 0.00 39.78 38.80 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 1.00 0.47 -0.06 3.52 4.81 -1.44 -1.02 114.58 121.87 1ugj h GLU 38 Ca 0.47 -0.81 -0.25 0.00 -0.13 0.00 0.00 59.36 58.65 1ugj h GLU 38 Cb 2.38 0.30 0.02 0.00 0.63 0.00 0.00 28.75 32.08 1ugj h GLU 38 CO 0.82 1.39 -0.95 -1.00 -0.73 0.00 0.00 179.01 178.54 1ugj h PRO 39 N -0.01 0.73 0.15 0.92 0.13 -1.78 -3.20 132.00 128.94 1ugj h PRO 39 Ca -0.23 -0.72 -0.01 0.00 -0.87 0.00 0.00 66.00 64.18 1ugj h PRO 39 Cb 2.02 0.19 0.00 0.00 0.13 0.00 0.00 31.00 33.33 1ugj h PRO 39 CO 0.24 1.30 -0.07 0.37 -0.23 0.00 0.00 178.00 179.61 1ugj h GLN 40 N 0.45 -0.19 -0.87 0.86 4.15 -1.83 -2.94 115.11 114.74 1ugj h GLN 40 Ca -0.10 0.01 0.16 0.00 0.77 0.00 0.00 58.65 59.49 1ugj h GLN 40 Cb 1.59 0.04 -0.15 0.00 0.21 0.00 0.00 27.48 29.17 1ugj h GLN 40 CO 0.19 0.26 -0.27 1.17 -1.93 0.00 0.00 178.83 178.24 1ugj n LYS 41 N -4.93 -0.14 -0.01 1.69 0.00 -0.38 0.19 118.16 114.59 1ugj n LYS 41 Ca -0.08 1.35 -0.10 0.00 0.00 0.00 0.00 58.31 59.48 1ugj n LYS 41 Cb 0.27 -2.01 -0.04 0.00 0.00 0.00 0.00 35.03 33.25 1ugj n LYS 41 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 1ugj h ASN 42 N 0.00 -0.16 -0.99 3.14 2.35 -1.59 0.97 115.58 119.30 1ugj h ASN 42 Ca 0.36 0.04 0.19 0.00 -0.55 0.00 0.00 56.30 56.35 1ugj h ASN 42 Cb 0.58 0.10 -0.10 0.00 0.05 0.00 0.00 38.32 38.95 1ugj h ASN 42 CO -0.88 -0.06 0.61 0.03 -1.65 0.00 0.00 177.43 175.48 1ugj h ARG 43 N -0.03 0.69 0.31 0.81 2.47 0.23 0.30 114.38 119.16 1ugj h ARG 43 Ca 0.07 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.73 1ugj h ARG 43 Cb 0.13 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.29 1ugj h ARG 43 CO -0.15 0.46 -0.15 0.82 0.56 0.00 0.00 179.97 181.51 1ugj h ILE 44 N 0.71 0.66 -0.76 2.04 1.08 0.72 -1.72 117.51 120.24 1ugj h ILE 44 Ca 0.55 -0.65 0.16 0.00 -0.39 0.00 0.00 64.86 64.53 1ugj h ILE 44 Cb 0.93 0.97 -0.14 0.00 -3.07 0.00 0.00 36.82 35.51 1ugj h ILE 44 CO -0.33 0.12 -0.14 -0.07 -0.69 0.00 0.00 178.15 177.04 1ugj h LEU 45 N -0.80 -0.62 0.44 1.44 3.38 0.31 -1.05 115.31 118.41 1ugj h LEU 45 Ca -0.04 0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1ugj h LEU 45 Cb 0.51 0.44 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1ugj h LEU 45 CO 0.07 -0.24 -0.33 -0.33 0.09 0.00 0.00 178.44 177.71 1ugj h GLU 46 N 0.02 -0.71 -0.82 1.13 5.08 -0.94 -1.04 114.58 117.30 1ugj h GLU 46 Ca 0.38 0.05 0.28 0.00 -1.00 0.00 0.00 59.36 59.07 1ugj h GLU 46 Cb 0.61 0.16 -0.15 0.00 0.50 0.00 0.00 28.75 29.87 1ugj h GLU 46 CO -0.76 -0.47 0.22 0.39 -1.00 0.00 0.00 179.01 177.39 1ugj n GLU 47 N -4.38 -0.06 0.15 2.33 -0.58 -0.52 0.24 120.64 117.82 1ugj n GLU 47 Ca -0.09 1.18 -0.14 0.00 -0.42 0.00 0.00 57.16 57.69 1ugj n GLU 47 Cb 0.32 -1.99 -0.08 0.00 -0.57 0.00 0.00 31.44 29.12 1ugj n GLU 47 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1ugj h ILE 48 N 0.00 0.79 -0.64 -3.67 2.04 -0.68 1.26 117.51 116.61 1ugj h ILE 48 Ca 0.59 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 66.01 1ugj h ILE 48 Cb 1.42 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 38.49 1ugj h ILE 48 CO -0.70 0.09 0.28 -0.33 0.00 0.00 0.00 178.15 177.49 1ugj h GLU 49 N -0.57 0.94 -0.39 2.37 5.08 0.34 -2.42 114.58 119.93 1ugj h GLU 49 Ca -0.04 -0.15 -0.11 0.00 -1.00 0.00 0.00 59.36 58.06 1ugj h GLU 49 Cb 0.42 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1ugj h GLU 49 CO 0.06 0.77 -0.22 1.57 -1.00 0.00 0.00 179.01 180.19 1ugj h LYS 50 N 0.89 0.76 -6.98 2.33 2.10 0.33 -3.43 116.57 112.56 1ugj h LYS 50 Ca 0.22 -0.30 -0.52 0.00 -2.00 0.00 0.00 60.65 58.04 1ugj h LYS 50 Cb 0.16 -0.04 0.08 0.00 -0.90 0.00 0.00 32.23 31.54 1ugj h LYS 50 CO -0.02 0.91 0.56 -1.54 -2.00 0.00 0.00 179.45 177.35 1ugj s SER 51 N -6.75 6.09 -0.17 7.07 1.04 0.43 -4.90 113.70 116.52 1ugj s SER 51 Ca -0.09 2.52 0.07 0.00 0.48 0.00 0.00 55.95 58.93 1ugj s SER 51 Cb 0.13 -2.62 0.45 0.00 0.10 0.00 0.00 66.02 64.08 1ugj s SER 51 CO 0.83 -0.99 1.29 0.29 0.98 0.00 0.00 173.24 175.65 1ugj n LYS 52 N -0.30 2.89 -3.11 4.02 4.76 -1.26 -4.87 118.16 120.28 1ugj n LYS 52 Ca 0.06 -1.80 -0.24 0.00 -2.87 0.00 0.00 58.31 53.46 1ugj n LYS 52 Cb 0.46 -1.88 -0.00 0.00 -1.84 0.00 0.00 35.03 31.76 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 -1.99 3.63 0.00 7.82 0.00 -1.26 -5.02 121.76 124.95 1ugj s ALA 53 Ca 0.32 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.43 1ugj s ALA 53 Cb 0.25 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 21.14 1ugj s ALA 53 CO 0.08 -0.18 0.00 0.09 0.00 0.00 0.00 175.76 175.75 1ugj n ASN 54 N -1.97 3.18 -4.56 0.00 3.02 -1.26 -4.98 115.26 108.69 1ugj n ASN 54 Ca -0.02 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.12 1ugj n ASN 54 Cb 0.56 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.65 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 -1.96 3.20 -0.00 3.10 2.46 -1.26 -2.76 115.29 118.06 1ugj s HIS 55 Ca 0.00 0.12 0.08 0.00 0.47 0.00 0.00 55.06 55.73 1ugj s HIS 55 Cb 0.00 -2.78 -0.02 0.00 -0.13 0.00 0.00 32.58 29.65 1ugj s HIS 55 CO 0.00 -0.46 -0.24 -0.06 -2.47 0.00 0.00 174.74 171.50 1ugj s PHE 56 N 2.21 2.17 0.31 3.88 0.40 -1.26 -0.07 117.98 125.61 1ugj s PHE 56 Ca 0.15 -0.41 0.10 0.00 -0.60 0.00 0.00 56.93 56.18 1ugj s PHE 56 Cb -0.16 -1.37 -0.06 0.00 0.51 0.00 0.00 43.02 41.94 1ugj s PHE 56 CO 0.12 0.00 -0.14 -0.51 0.70 0.00 0.00 175.22 175.40 1ugj s LEU 57 N -0.73 2.66 -0.19 -0.37 1.02 -0.59 -4.71 118.68 115.77 1ugj s LEU 57 Ca 0.10 -1.12 -0.03 0.00 0.02 0.00 0.00 54.13 53.09 1ugj s LEU 57 Cb -0.09 -1.01 -0.01 0.00 0.02 0.00 0.00 46.19 45.10 1ugj s LEU 57 CO -0.00 -0.11 -0.06 -0.63 0.02 0.00 0.00 176.35 175.57 1ugj s ILE 58 N -2.61 3.41 -0.24 -0.59 1.01 -1.23 -2.97 121.20 117.99 1ugj s ILE 58 Ca 0.31 -0.50 -0.19 0.00 0.00 0.00 0.00 60.65 60.28 1ugj s ILE 58 Cb -0.01 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.91 1ugj s ILE 58 CO 0.15 0.45 0.54 -0.22 0.00 0.00 0.00 174.94 175.86 1ugj s LEU 59 N 1.11 4.09 0.00 2.97 2.96 -0.88 -2.29 118.68 126.64 1ugj s LEU 59 Ca 0.01 0.61 0.02 0.00 -0.22 0.00 0.00 54.13 54.56 1ugj s LEU 59 Cb -0.15 -2.72 0.04 0.00 0.50 0.00 0.00 46.19 43.87 1ugj s LEU 59 CO -0.01 -0.27 0.30 0.49 -1.32 0.00 0.00 176.35 175.55 1ugj n PHE 60 N 5.31 -2.94 -1.77 5.38 3.72 -1.25 0.19 117.46 126.10 1ugj n PHE 60 Ca -0.04 -0.67 -0.30 0.00 -0.05 0.00 0.00 57.45 56.39 1ugj n PHE 60 Cb 0.50 -0.21 0.04 0.00 -0.94 0.00 0.00 39.48 38.87 1ugj n PHE 60 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1ugj n ARG 61 N -1.51 3.16 -2.25 -1.08 0.00 -1.21 -4.61 116.66 109.17 1ugj n ARG 61 Ca 0.06 -3.79 -0.01 0.00 -0.00 0.00 0.00 57.85 54.11 1ugj n ARG 61 Cb 0.20 -2.28 -0.01 0.00 0.00 0.00 0.00 32.46 30.38 1ugj n ARG 61 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1ugj n ASP 62 N -0.76 -7.86 -3.18 6.15 9.92 -1.26 -4.68 116.55 114.88 1ugj n ASP 62 Ca 0.52 1.63 -0.00 0.00 -0.53 0.00 0.00 54.79 56.41 1ugj n ASP 62 Cb 0.76 -4.81 -0.00 0.00 -0.64 0.00 0.00 41.12 36.43 1ugj n ASP 62 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1ugj n SER 63 N 1.64 -6.65 0.00 -2.24 2.88 -1.26 -4.83 113.62 103.15 1ugj n SER 63 Ca -0.05 0.45 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 1ugj n SER 63 Cb 0.07 -1.60 0.00 0.00 -0.75 0.00 0.00 64.21 61.94 1ugj n SER 63 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ugj n SER 64 N 1.38 0.00 -0.70 -3.46 7.64 -1.26 -4.99 113.62 112.22 1ugj n SER 64 Ca -0.00 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.83 1ugj n SER 64 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 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 -4.49 2.45 0.08 0.00 -0.21 -1.26 -4.93 119.66 111.30 1ugj s GLN 66 Ca 0.03 -2.40 -0.37 0.00 0.02 0.00 0.00 55.36 52.65 1ugj s GLN 66 Cb -0.01 -3.70 -0.18 0.00 1.00 0.00 0.00 33.01 30.12 1ugj s GLN 66 CO 0.04 -1.15 1.16 0.34 -2.12 0.00 0.00 175.29 173.55 1ugj n PHE 67 N 3.69 1.04 -0.08 0.91 -0.00 -1.26 -3.30 117.46 118.46 1ugj n PHE 67 Ca 0.06 0.81 -0.10 0.00 -0.00 0.00 0.00 57.45 58.22 1ugj n PHE 67 Cb 0.38 -2.21 -0.08 0.00 -0.00 0.00 0.00 39.48 37.57 1ugj n PHE 67 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1ugj n ARG 68 N 1.92 0.86 -3.61 -4.13 5.12 0.50 -4.94 116.66 112.38 1ugj n ARG 68 Ca 0.18 0.06 -0.08 0.00 -1.93 0.00 0.00 57.85 56.09 1ugj n ARG 68 Cb 0.17 -1.32 -0.02 0.00 -1.16 0.00 0.00 32.46 30.13 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 -2.32 -1.59 0.11 7.54 0.00 -1.23 -4.09 121.76 120.19 1ugj s ALA 69 Ca -0.17 0.38 0.04 0.00 0.00 0.00 0.00 51.96 52.21 1ugj s ALA 69 Cb 0.05 0.70 -0.04 0.00 0.00 0.00 0.00 23.12 23.83 1ugj s ALA 69 CO 0.41 -0.87 0.09 -1.17 0.00 0.00 0.00 175.76 174.23 1ugj s LEU 70 N -2.76 3.78 0.05 0.00 2.96 -0.93 -2.07 118.68 119.71 1ugj s LEU 70 Ca 0.07 -0.06 -0.08 0.00 -0.22 0.00 0.00 54.13 53.84 1ugj s LEU 70 Cb -0.02 -2.44 -0.00 0.00 0.50 0.00 0.00 46.19 44.22 1ugj s LEU 70 CO -0.04 0.14 0.15 -0.31 -1.32 0.00 0.00 176.35 174.97 1ugj s TYR 71 N -1.51 0.14 -0.12 5.38 1.51 -1.16 -2.29 117.35 119.30 1ugj s TYR 71 Ca 0.30 -0.45 0.01 0.00 -1.01 0.00 0.00 57.07 55.91 1ugj s TYR 71 Cb -0.11 -0.09 -0.01 0.00 -0.11 0.00 0.00 41.96 41.64 1ugj s TYR 71 CO 0.22 -0.44 -0.15 0.95 -1.11 0.00 0.00 175.55 175.03 1ugj s THR 72 N -2.94 2.91 0.13 -0.71 -4.23 -0.35 -1.54 115.64 108.92 1ugj s THR 72 Ca -0.02 -0.72 -0.30 0.00 -1.18 0.00 0.00 61.69 59.47 1ugj s THR 72 Cb 0.01 -2.21 -0.06 0.00 1.34 0.00 0.00 72.50 71.58 1ugj s THR 72 CO -0.06 0.53 1.02 -0.22 -0.54 0.00 0.00 174.62 175.36 1ugj s LEU 73 N 0.30 4.49 -0.14 4.79 2.96 0.90 -0.51 118.68 131.46 1ugj s LEU 73 Ca -0.11 1.91 -0.29 0.00 -0.22 0.00 0.00 54.13 55.42 1ugj s LEU 73 Cb -0.16 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 42.93 1ugj s LEU 73 CO 0.06 -0.14 1.05 -0.44 -1.32 0.00 0.00 176.35 175.55 1ugj s SER 74 N 0.00 7.17 0.31 3.68 0.01 0.83 -4.59 113.70 121.12 1ugj s SER 74 Ca 0.48 1.52 0.09 0.00 1.31 0.00 0.00 55.95 59.36 1ugj s SER 74 Cb -0.26 -2.55 0.51 0.00 0.21 0.00 0.00 66.02 63.93 1ugj s SER 74 CO 0.32 -0.54 1.71 1.23 0.41 0.00 0.00 173.24 176.37 1ugj h GLY 75 N 8.53 0.11 1.93 3.44 0.00 -1.94 -2.70 103.07 112.44 1ugj h GLY 75 Ca -0.27 -0.11 -0.11 0.00 0.00 0.00 0.00 47.33 46.84 1ugj h GLY 75 CO 0.90 0.10 -0.49 1.05 0.00 0.00 0.00 176.54 178.10 1ugj h GLU 76 N 0.08 0.08 0.00 4.80 9.09 -1.97 -3.46 114.58 123.20 1ugj h GLU 76 Ca 0.00 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 59.37 1ugj h GLU 76 Cb 0.85 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.95 1ugj h GLU 76 CO 0.06 0.55 0.00 0.25 0.05 0.00 0.00 179.01 179.93 1ugj n THR 77 N -3.96 0.00 -0.46 -1.06 -2.24 -1.02 -5.06 114.28 100.48 1ugj n THR 77 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1ugj n THR 77 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 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 0.48 -1.72 -0.78 1.02 -1.25 -4.58 120.64 113.82 1ugj n GLU 78 Ca 0.00 -0.64 -0.31 0.00 -0.02 0.00 0.00 57.16 56.20 1ugj n GLU 78 Cb 0.00 -0.77 0.04 0.00 -0.02 0.00 0.00 31.44 30.69 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 -0.26 2.99 -0.10 3.49 8.01 -1.26 -4.45 118.70 127.13 1ugj s GLU 79 Ca 0.00 0.75 0.04 0.00 0.01 0.00 0.00 54.97 55.77 1ugj s GLU 79 Cb 0.00 -2.01 0.00 0.00 -4.31 0.00 0.00 34.13 27.81 1ugj s GLU 79 CO 0.00 -1.01 -0.22 -0.51 0.01 0.00 0.00 175.26 173.53 1ugj s LEU 80 N -5.44 2.03 0.07 1.80 1.43 0.46 -0.12 118.68 118.92 1ugj s LEU 80 Ca 0.58 -0.53 -0.07 0.00 -1.03 0.00 0.00 54.13 53.07 1ugj s LEU 80 Cb -0.13 -1.34 -0.05 0.00 0.03 0.00 0.00 46.19 44.70 1ugj s LEU 80 CO 0.54 0.13 0.35 -0.55 0.23 0.00 0.00 176.35 177.05 1ugj s SER 81 N 0.45 6.55 -0.55 2.29 0.15 0.33 0.73 113.70 123.65 1ugj s SER 81 Ca -0.17 0.65 -0.28 0.00 0.70 0.00 0.00 55.95 56.86 1ugj s SER 81 Cb -0.17 -2.12 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 1ugj s SER 81 CO 0.07 0.17 1.56 -0.60 1.20 0.00 0.00 173.24 175.63 1ugj s ARG 82 N -2.07 3.14 -0.06 5.44 3.52 -0.11 -1.21 118.95 127.59 1ugj s ARG 82 Ca 0.33 0.57 -0.04 0.00 -0.13 0.00 0.00 55.73 56.46 1ugj s ARG 82 Cb -0.13 -4.20 -0.02 0.00 -1.56 0.00 0.00 34.95 29.04 1ugj s ARG 82 CO 0.19 -2.13 0.21 1.25 -0.81 0.00 0.00 175.30 174.02 1ugj h LEU 83 N 13.95 -0.13 -8.58 -0.88 5.85 -1.79 -3.48 115.31 120.24 1ugj h LEU 83 Ca -0.27 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.19 1ugj h LEU 83 Cb 1.12 0.03 -0.12 0.00 0.37 0.00 0.00 40.66 42.06 1ugj h LEU 83 CO 1.17 0.26 -0.44 0.00 -0.34 0.00 0.00 178.44 179.09 1ugj s ALA 84 N -3.03 0.99 0.00 1.25 0.00 -1.04 -5.03 121.76 114.90 1ugj s ALA 84 Ca -0.02 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 50.34 1ugj s ALA 84 Cb 0.00 1.31 0.00 0.00 0.00 0.00 0.00 23.12 24.44 1ugj s ALA 84 CO 0.07 -0.68 0.00 0.41 0.00 0.00 0.00 175.76 175.55 1ugj n GLY 85 N -0.41 -1.81 3.51 0.00 0.00 -1.26 -2.20 105.19 103.02 1ugj n GLY 85 Ca 0.02 -1.46 -0.28 0.00 0.00 0.00 0.00 46.02 44.30 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 2.52 -5.00 1.61 5.04 -1.26 -4.96 117.35 115.30 1ugj s TYR 86 Ca 0.00 -0.27 0.00 0.00 -2.44 0.00 0.00 57.07 54.36 1ugj s TYR 86 Cb 0.00 -1.27 0.00 0.00 0.35 0.00 0.00 41.96 41.04 1ugj s TYR 86 CO 0.00 0.47 0.00 0.41 -1.34 0.00 0.00 175.55 175.09 1ugj n GLY 87 N 0.36 0.26 3.72 8.97 0.00 -1.26 -4.48 105.19 112.75 1ugj n GLY 87 Ca -0.13 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 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 4.48 0.29 1.61 0.04 -1.26 -4.91 135.00 133.25 1ugj s PRO 88 Ca 0.00 1.73 0.03 0.00 0.04 0.00 0.00 61.00 62.79 1ugj s PRO 88 Cb 0.00 -3.34 0.73 0.00 0.04 0.00 0.00 34.50 31.93 1ugj s PRO 88 CO 0.00 -0.16 1.45 -2.13 0.04 0.00 0.00 177.00 176.19 1ugj n ARG 89 N 3.57 -0.07 -4.23 4.56 0.63 -1.26 -4.52 116.66 115.34 1ugj n ARG 89 Ca 0.07 1.38 -0.13 0.00 -0.92 0.00 0.00 57.85 58.25 1ugj n ARG 89 Cb 0.47 -2.20 -0.10 0.00 0.45 0.00 0.00 32.46 31.07 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 -5.88 0.13 -0.03 5.15 2.01 -1.26 -0.94 115.64 114.82 1ugj s THR 90 Ca -0.12 -2.00 -0.02 0.00 0.31 0.00 0.00 61.69 59.87 1ugj s THR 90 Cb 0.27 -2.53 0.02 0.00 0.01 0.00 0.00 72.50 70.27 1ugj s THR 90 CO 0.72 -0.00 0.07 -0.69 -0.69 0.00 0.00 174.62 174.02 1ugj s VAL 91 N -4.07 -0.03 0.38 3.82 1.01 0.22 -4.96 120.40 116.79 1ugj s VAL 91 Ca 0.39 0.10 0.08 0.00 0.00 0.00 0.00 61.98 62.54 1ugj s VAL 91 Cb 0.07 -0.12 -0.05 0.00 0.00 0.00 0.00 36.38 36.29 1ugj s VAL 91 CO 0.12 0.04 0.15 0.42 0.00 0.00 0.00 175.10 175.84 1ugj s THR 92 N 0.55 2.56 -1.39 3.92 -4.23 -1.26 0.17 115.64 115.97 1ugj s THR 92 Ca -0.04 -1.72 0.23 0.00 -1.18 0.00 0.00 61.69 58.97 1ugj s THR 92 Cb -0.06 -2.96 0.38 0.00 1.34 0.00 0.00 72.50 71.19 1ugj s THR 92 CO -0.02 -0.08 1.73 -0.81 -0.54 0.00 0.00 174.62 174.91 1ugj n PRO 93 N -1.19 0.29 0.06 3.99 -0.04 -1.26 -2.08 135.00 134.77 1ugj n PRO 93 Ca -0.02 0.08 0.12 0.00 -0.04 0.00 0.00 63.50 63.64 1ugj n PRO 93 Cb 0.63 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.79 1ugj n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ugj n ALA 94 N -1.31 2.89 -0.03 0.55 0.00 -1.26 -3.82 120.51 117.53 1ugj n ALA 94 Ca 0.10 -0.23 0.02 0.00 0.00 0.00 0.00 53.44 53.33 1ugj n ALA 94 Cb 0.19 -1.20 -0.12 0.00 0.00 0.00 0.00 19.45 18.32 1ugj n ALA 94 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1ugj n MET 95 N -2.10 0.92 -1.74 0.00 2.81 -0.88 -4.98 117.12 111.14 1ugj n MET 95 Ca 0.04 -0.09 -0.42 0.00 -1.81 0.00 0.00 57.70 55.42 1ugj n MET 95 Cb 0.43 -1.38 -0.00 0.00 -0.71 0.00 0.00 33.22 31.56 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 -2.24 1.86 -0.12 2.03 3.14 -0.95 0.13 118.33 122.18 1ugj n VAL 96 Ca -0.11 -0.47 -0.22 0.00 -2.96 0.00 0.00 64.34 60.59 1ugj n VAL 96 Cb 0.64 -1.83 -0.09 0.00 -1.06 0.00 0.00 33.84 31.49 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 0.71 0.53 -3.68 1.45 2.13 0.50 -4.67 120.64 117.61 1ugj n GLU 97 Ca 0.03 0.18 -0.11 0.00 0.66 0.00 0.00 57.16 57.93 1ugj n GLU 97 Cb 0.37 -1.39 -0.06 0.00 0.27 0.00 0.00 31.44 30.64 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 -5.73 -0.22 0.09 8.31 0.00 -0.97 -4.99 107.32 103.82 1ugj s GLY 98 Ca -0.32 0.03 0.08 0.00 0.00 0.00 0.00 44.72 44.51 1ugj s GLY 98 CO 0.46 -0.21 -0.20 -0.26 0.00 0.00 0.00 173.10 172.89 1ugj s ILE 99 N -3.14 1.62 0.02 0.90 -4.36 -1.26 -1.14 121.20 113.84 1ugj s ILE 99 Ca -0.01 -1.47 -0.06 0.00 -0.26 0.00 0.00 60.65 58.85 1ugj s ILE 99 Cb 0.01 -1.47 -0.01 0.00 1.25 0.00 0.00 42.46 42.24 1ugj s ILE 99 CO -0.07 -0.06 0.10 -0.31 0.24 0.00 0.00 174.94 174.84 1ugj s TYR 100 N -1.14 0.12 0.43 1.37 1.51 0.13 -0.09 117.35 119.68 1ugj s TYR 100 Ca 0.05 -0.30 0.05 0.00 -1.01 0.00 0.00 57.07 55.86 1ugj s TYR 100 Cb -0.10 -0.09 0.05 0.00 -0.11 0.00 0.00 41.96 41.70 1ugj s TYR 100 CO 0.04 -0.30 0.39 0.36 -1.11 0.00 0.00 175.55 174.93 1ugj n LYS 101 N 1.26 0.82 -3.90 -0.62 0.00 0.46 0.14 118.16 116.32 1ugj n LYS 101 Ca -0.22 -2.62 -0.29 0.00 -0.00 0.00 0.00 58.31 55.17 1ugj n LYS 101 Cb 0.56 0.18 -0.16 0.00 -0.00 0.00 0.00 35.03 35.61 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 -2.05 1.96 -0.51 5.58 6.14 -1.26 -1.91 117.35 125.29 1ugj s TYR 102 Ca 0.30 -1.38 -0.26 0.00 0.64 0.00 0.00 57.07 56.36 1ugj s TYR 102 Cb -0.02 -1.41 -0.05 0.00 0.42 0.00 0.00 41.96 40.89 1ugj s TYR 102 CO 0.19 -0.70 2.25 -0.80 0.64 0.00 0.00 175.55 177.13 1ugj s ASN 103 N 1.55 4.72 0.00 4.32 0.01 0.32 -4.75 114.94 121.11 1ugj s ASN 103 Ca -0.03 0.92 0.24 0.00 -0.71 0.00 0.00 52.86 53.29 1ugj s ASN 103 Cb -0.17 -2.51 1.44 0.00 0.41 0.00 0.00 41.25 40.42 1ugj s ASN 103 CO -0.07 -2.69 1.90 -0.24 -1.51 0.00 0.00 177.10 174.49 1ugj n SER 104 N 14.81 0.00 -0.03 -1.22 2.88 -1.26 0.11 113.62 128.90 1ugj n SER 104 Ca 0.32 -1.17 -0.05 0.00 -1.33 0.00 0.00 58.87 56.64 1ugj n SER 104 Cb 0.54 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.96 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 -0.89 3.41 -0.21 -3.46 8.00 -1.26 -4.63 116.55 117.51 1ugj n ASP 105 Ca 0.18 -0.03 0.11 0.00 0.71 0.00 0.00 54.79 55.76 1ugj n ASP 105 Cb 0.08 -0.11 0.08 0.00 -0.02 0.00 0.00 41.12 41.16 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 -2.71 0.57 -3.74 -1.24 1.74 -1.21 -4.96 116.66 105.11 1ugj n ARG 106 Ca -0.12 -0.43 -0.26 0.00 -0.77 0.00 0.00 57.85 56.27 1ugj n ARG 106 Cb 0.63 -1.49 0.05 0.00 -1.02 0.00 0.00 32.46 30.63 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 -0.84 -6.28 -4.19 5.56 5.02 0.29 -4.97 118.16 112.75 1ugj n LYS 107 Ca 0.08 0.69 -0.22 0.00 -2.02 0.00 0.00 58.31 56.84 1ugj n LYS 107 Cb 0.38 -5.59 -0.07 0.00 -0.02 0.00 0.00 35.03 29.73 1ugj n LYS 107 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ugj n ARG 108 N -4.67 0.55 -4.84 1.97 1.74 -1.04 -4.93 116.66 105.43 1ugj n ARG 108 Ca -0.05 -3.17 -0.33 0.00 -0.77 0.00 0.00 57.85 53.53 1ugj n ARG 108 Cb 0.57 1.91 -0.13 0.00 -1.02 0.00 0.00 32.46 33.79 1ugj n ARG 108 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1ugj s PHE 109 N -3.03 2.75 0.13 -1.55 0.08 -1.26 0.12 117.98 115.21 1ugj s PHE 109 Ca 0.23 -0.27 0.05 0.00 0.12 0.00 0.00 56.93 57.06 1ugj s PHE 109 Cb 0.01 -1.69 -0.04 0.00 -0.57 0.00 0.00 43.02 40.73 1ugj s PHE 109 CO 0.16 0.09 -0.12 0.99 -0.10 0.00 0.00 175.22 176.25 1ugj s THR 110 N -0.45 1.19 0.19 0.64 2.01 -0.80 -4.92 115.64 113.50 1ugj s THR 110 Ca 0.06 -1.83 -0.00 0.00 0.31 0.00 0.00 61.69 60.22 1ugj s THR 110 Cb -0.12 -1.61 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 1ugj s THR 110 CO 0.02 -0.57 0.37 -1.58 -0.69 0.00 0.00 174.62 172.17 1ugj s GLN 111 N -3.09 3.51 -0.04 4.92 0.74 -1.26 0.17 119.66 124.61 1ugj s GLN 111 Ca 0.11 -0.38 -0.10 0.00 0.05 0.00 0.00 55.36 55.05 1ugj s GLN 111 Cb -0.02 -2.87 -0.05 0.00 1.10 0.00 0.00 33.01 31.18 1ugj s GLN 111 CO 0.02 0.43 0.27 0.42 -0.55 0.00 0.00 175.29 175.88 1ugj s ILE 112 N -1.83 5.28 -1.49 -2.34 -1.09 0.87 -4.74 121.20 115.86 1ugj s ILE 112 Ca 0.38 0.42 0.23 0.00 -2.23 0.00 0.00 60.65 59.44 1ugj s ILE 112 Cb -0.11 -3.56 0.43 0.00 -1.58 0.00 0.00 42.46 37.64 1ugj s ILE 112 CO 0.29 0.53 1.75 -0.81 -1.23 0.00 0.00 174.94 175.46 1ugj n PRO 113 N 1.66 0.37 -4.27 2.79 -0.04 -1.26 -4.70 135.00 129.56 1ugj n PRO 113 Ca -0.15 0.06 -0.24 0.00 -0.04 0.00 0.00 63.50 63.13 1ugj n PRO 113 Cb 0.53 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.42 1ugj n PRO 113 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ugj s ALA 114 N -2.51 3.15 -1.54 0.55 0.00 -1.26 -5.02 121.76 115.13 1ugj s ALA 114 Ca 0.23 -1.54 0.14 0.00 0.00 0.00 0.00 51.96 50.79 1ugj s ALA 114 Cb 0.15 -0.84 0.22 0.00 0.00 0.00 0.00 23.12 22.66 1ugj s ALA 114 CO 0.34 0.35 1.10 1.63 0.00 0.00 0.00 175.76 179.18 1ugj n LYS 115 N -0.55 1.71 -3.44 0.00 4.01 -1.26 -4.44 118.16 114.19 1ugj n LYS 115 Ca -0.08 -1.69 -0.19 0.00 -0.51 0.00 0.00 58.31 55.84 1ugj n LYS 115 Cb 0.57 -1.30 -0.01 0.00 -0.51 0.00 0.00 35.03 33.79 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 -1.11 3.87 -0.31 -0.18 2.01 -1.26 -4.90 115.64 113.75 1ugj s THR 116 Ca 0.22 -1.04 -0.29 0.00 0.31 0.00 0.00 61.69 60.89 1ugj s THR 116 Cb 0.13 -3.33 0.01 0.00 0.01 0.00 0.00 72.50 69.32 1ugj s THR 116 CO 0.19 -0.14 1.26 -0.04 -0.69 0.00 0.00 174.62 175.20 1ugj s MET 117 N -4.18 3.93 0.24 4.92 -1.94 -1.26 -4.99 119.30 116.02 1ugj s MET 117 Ca 0.46 1.19 0.10 0.00 -1.71 0.00 0.00 55.69 55.73 1ugj s MET 117 Cb -0.09 -3.86 -0.05 0.00 2.01 0.00 0.00 34.83 32.84 1ugj s MET 117 CO 0.31 -1.10 -0.19 0.45 -0.01 0.00 0.00 175.02 174.48 1ugj s SER 118 N 2.59 3.21 -0.33 3.03 0.15 -1.26 -5.02 113.70 116.07 1ugj s SER 118 Ca 0.54 -0.99 -0.06 0.00 0.70 0.00 0.00 55.95 56.14 1ugj s SER 118 Cb -0.15 -0.24 -0.20 0.00 -1.71 0.00 0.00 66.02 63.72 1ugj s SER 118 CO 0.22 -0.01 3.14 0.23 1.20 0.00 0.00 173.24 178.02 1ugj n MET 119 N -0.36 2.12 -0.86 5.44 2.81 -1.26 -3.00 117.12 122.01 1ugj n MET 119 Ca -0.08 -1.14 -0.05 0.00 -1.81 0.00 0.00 57.70 54.62 1ugj n MET 119 Cb 0.59 -2.12 -0.05 0.00 -0.71 0.00 0.00 33.22 30.93 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 2.83 -0.73 -4.49 7.83 7.64 -1.26 -4.64 113.62 120.80 1ugj n SER 120 Ca 0.45 -1.51 -0.33 0.00 1.01 0.00 0.00 58.87 58.49 1ugj n SER 120 Cb 0.67 0.22 -0.13 0.00 -1.01 0.00 0.00 64.21 63.96 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 3.28 0.00 0.44 1.01 -1.16 -4.21 120.40 119.76 1ugj s VAL 121 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1ugj s VAL 121 Cb 0.00 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 34.05 1ugj s VAL 121 CO 0.00 0.58 0.73 0.47 0.00 0.00 0.00 175.10 176.88 1ugj n ASP 122 N 2.57 0.99 -3.56 3.32 9.92 0.36 -4.82 116.55 125.33 1ugj n ASP 122 Ca -0.18 -1.49 -0.11 0.00 -0.53 0.00 0.00 54.79 52.49 1ugj n ASP 122 Cb 0.52 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.96 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 -0.49 -1.90 -0.04 2.24 0.00 0.11 -3.48 121.76 118.20 1ugj s ALA 123 Ca 0.00 1.48 -0.31 0.00 0.00 0.00 0.00 51.96 53.13 1ugj s ALA 123 Cb 0.00 -0.47 0.07 0.00 0.00 0.00 0.00 23.12 22.72 1ugj s ALA 123 CO 0.00 -0.37 0.68 -0.59 0.00 0.00 0.00 175.76 175.48 1ugj s PHE 124 N -1.40 -0.65 -0.11 0.00 -0.71 -0.97 0.19 117.98 114.33 1ugj s PHE 124 Ca -0.02 1.08 0.00 0.00 -1.04 0.00 0.00 56.93 56.96 1ugj s PHE 124 Cb -0.00 0.42 0.02 0.00 -1.21 0.00 0.00 43.02 42.25 1ugj s PHE 124 CO 0.01 -0.62 -0.10 0.95 -1.34 0.00 0.00 175.22 174.12 1ugj s THR 125 N -1.31 1.18 1.11 -4.49 -4.23 -0.29 -3.78 115.64 103.83 1ugj s THR 125 Ca -0.10 -0.41 -0.17 0.00 -1.18 0.00 0.00 61.69 59.83 1ugj s THR 125 Cb -0.00 -1.15 0.24 0.00 1.34 0.00 0.00 72.50 72.93 1ugj s THR 125 CO 0.09 0.39 1.13 0.27 -0.54 0.00 0.00 174.62 175.96 1ugj s ILE 126 N 1.47 1.77 0.65 2.99 -4.36 -1.26 0.19 121.20 122.64 1ugj s ILE 126 Ca 0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 60.65 60.29 1ugj s ILE 126 Cb -0.13 -2.57 0.17 0.00 1.25 0.00 0.00 42.46 41.17 1ugj s ILE 126 CO -0.07 0.00 0.49 0.00 0.24 0.00 0.00 174.94 175.60 1ugj n GLN 127 N -4.45 -2.62 -0.11 0.37 6.02 0.35 -4.26 117.38 112.68 1ugj n GLN 127 Ca 0.11 -0.80 -0.20 0.00 -0.01 0.00 0.00 57.00 56.11 1ugj n GLN 127 Cb 0.59 -0.85 -0.07 0.00 1.02 0.00 0.00 30.24 30.92 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 -1.80 -0.62 0.71 1.08 0.00 -1.26 -4.28 105.19 99.02 1ugj n GLY 128 Ca 0.07 -0.14 0.53 0.00 0.00 0.00 0.00 46.02 46.48 1ugj n GLY 128 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1ugj n HIS 129 N -4.39 0.00 0.10 1.61 1.44 -1.26 0.08 115.22 112.80 1ugj n HIS 129 Ca -0.34 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.30 1ugj n HIS 129 Cb 0.67 -0.49 -0.04 0.00 0.12 0.00 0.00 29.99 30.25 1ugj n HIS 129 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1ugj h LEU 130 N 0.00 -0.62 0.12 2.39 4.07 -1.74 0.46 115.31 120.00 1ugj h LEU 130 Ca 0.93 0.06 0.02 0.00 0.08 0.00 0.00 57.88 58.96 1ugj h LEU 130 Cb 3.77 0.21 -0.05 0.00 1.08 0.00 0.00 40.66 45.67 1ugj h LEU 130 CO -0.01 -0.27 -0.48 -0.50 -1.08 0.00 0.00 178.44 176.11 1ugj h TRP 131 N -0.39 -1.36 -0.94 1.13 4.06 -0.58 -1.78 115.95 116.09 1ugj h TRP 131 Ca -0.02 0.03 0.13 0.00 2.06 0.00 0.00 58.89 61.10 1ugj h TRP 131 Cb 0.35 0.58 -0.14 0.00 -1.00 0.00 0.00 29.16 28.95 1ugj h TRP 131 CO -0.22 -0.56 -0.40 0.94 -3.56 0.00 0.00 178.44 174.63 1ugj n GLN 132 N -5.48 -0.26 -3.64 0.49 0.00 -0.94 -4.64 117.38 102.91 1ugj n GLN 132 Ca -0.08 1.45 -0.07 0.00 -0.00 0.00 0.00 57.00 58.30 1ugj n GLN 132 Cb 0.40 -2.15 -0.07 0.00 0.00 0.00 0.00 30.24 28.43 1ugj n GLN 132 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 1ugj s SER 133 N -5.36 -0.45 0.07 1.69 0.01 0.16 -5.06 113.70 104.76 1ugj s SER 133 Ca -0.13 0.82 -0.15 0.00 1.31 0.00 0.00 55.95 57.81 1ugj s SER 133 Cb 0.18 0.91 -0.04 0.00 0.21 0.00 0.00 66.02 67.28 1ugj s SER 133 CO 0.66 -0.14 1.25 0.50 0.41 0.00 0.00 173.24 175.92 1ugj h LYS 134 N 4.57 -0.03 -1.77 12.44 3.64 -1.73 -3.35 116.57 130.34 1ugj h LYS 134 Ca -0.28 0.00 0.20 0.00 -1.27 0.00 0.00 60.65 59.30 1ugj h LYS 134 Cb 1.18 0.01 -0.18 0.00 -0.41 0.00 0.00 32.23 32.83 1ugj h LYS 134 CO 0.13 -0.02 0.69 0.21 -2.27 0.00 0.00 179.45 178.19 1ugj s LYS 135 N -4.17 0.50 -0.39 1.90 2.20 -1.26 -4.70 119.74 113.81 1ugj s LYS 135 Ca -0.06 -0.18 0.03 0.00 -0.36 0.00 0.00 55.97 55.40 1ugj s LYS 135 Cb 0.05 0.23 0.18 0.00 -1.51 0.00 0.00 37.83 36.78 1ugj s LYS 135 CO 0.29 -0.22 0.76 0.45 -0.36 0.00 0.00 175.35 176.27 1ugj s SER 136 N -2.27 -1.16 0.00 1.43 0.15 -1.26 -5.12 113.70 105.47 1ugj s SER 136 Ca 0.08 -0.61 0.00 0.00 0.70 0.00 0.00 55.95 56.12 1ugj s SER 136 Cb -0.01 1.49 0.00 0.00 -1.71 0.00 0.00 66.02 65.79 1ugj s SER 136 CO -0.06 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.86 1ugj n GLY 137 N 4.16 1.32 3.71 9.45 0.00 -1.26 -5.14 105.19 117.43 1ugj n GLY 137 Ca 0.09 0.48 -0.42 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 4.42 -0.29 1.61 0.04 -1.26 -5.00 135.00 134.52 1ugj s PRO 138 Ca 0.00 1.71 -0.19 0.00 0.04 0.00 0.00 61.00 62.57 1ugj s PRO 138 Cb 0.00 -3.41 0.18 0.00 0.04 0.00 0.00 34.50 31.30 1ugj s PRO 138 CO 0.00 -0.28 1.17 -1.12 0.04 0.00 0.00 177.00 176.81 1ugj s SER 139 N 1.17 -0.25 -0.24 6.66 0.01 -1.26 -5.14 113.70 114.65 1ugj s SER 139 Ca 0.57 0.42 0.02 0.00 1.31 0.00 0.00 55.95 58.28 1ugj s SER 139 Cb -0.28 0.90 0.05 0.00 0.21 0.00 0.00 66.02 66.90 1ugj s SER 139 CO 0.27 -0.07 -0.13 -0.55 0.41 0.00 0.00 173.24 173.17 1ugj s SER 140 N 0.86 4.05 0.00 2.44 0.15 -1.26 -5.26 113.70 114.68 1ugj s SER 140 Ca -0.04 -1.18 0.00 0.00 0.70 0.00 0.00 55.95 55.43 1ugj s SER 140 Cb -0.03 -1.52 0.00 0.00 -1.71 0.00 0.00 66.02 62.75 1ugj s SER 140 CO -0.12 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.79