#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 -4.67 -4.98 1.61 3.41 -1.26 -5.01 113.62 102.72 1ugj n SER 2 Ca 0.00 1.11 -0.19 0.00 -0.26 0.00 0.00 58.87 59.52 1ugj n SER 2 Cb 0.00 -3.40 0.02 0.00 -0.26 0.00 0.00 64.21 60.57 1ugj n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ugj s SER 3 N -0.53 5.27 0.84 4.04 1.04 -1.26 -5.12 113.70 117.98 1ugj s SER 3 Ca -0.12 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.62 1ugj s SER 3 Cb 0.01 -0.24 0.00 0.00 0.10 0.00 0.00 66.02 65.89 1ugj s SER 3 CO 0.39 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 174.27 1ugj n GLY 4 N -1.91 -3.56 3.83 7.32 0.00 -1.26 -5.08 105.19 104.53 1ugj n GLY 4 Ca 0.09 -1.24 -0.07 0.00 0.00 0.00 0.00 46.02 44.79 1ugj n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ugj s SER 5 N -1.95 -0.23 0.08 1.61 0.01 -1.26 -5.17 113.70 106.79 1ugj s SER 5 Ca 0.00 -0.66 0.02 0.00 1.31 0.00 0.00 55.95 56.61 1ugj s SER 5 Cb 0.00 0.72 -0.04 0.00 0.21 0.00 0.00 66.02 66.91 1ugj s SER 5 CO 0.00 -1.35 0.15 -0.55 0.41 0.00 0.00 173.24 171.90 1ugj s SER 6 N -2.94 5.95 -0.46 2.44 0.15 -1.26 -5.00 113.70 112.59 1ugj s SER 6 Ca 0.12 0.12 -0.43 0.00 0.70 0.00 0.00 55.95 56.47 1ugj s SER 6 Cb -0.05 -1.72 -0.17 0.00 -1.71 0.00 0.00 66.02 62.36 1ugj s SER 6 CO 0.07 0.16 2.04 0.61 1.20 0.00 0.00 173.24 177.32 1ugj n GLY 7 N 0.32 0.10 3.79 9.45 0.00 -1.26 -4.90 105.19 112.69 1ugj n GLY 7 Ca -0.07 1.05 -0.29 0.00 0.00 0.00 0.00 46.02 46.72 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 5.40 1.08 0.36 1.61 0.04 -1.26 -5.09 135.00 137.14 1ugj s PRO 8 Ca 1.14 0.26 0.04 0.00 0.04 0.00 0.00 61.00 62.49 1ugj s PRO 8 Cb -1.35 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 31.33 1ugj s PRO 8 CO 0.65 -2.23 0.17 1.03 0.04 0.00 0.00 177.00 176.66 1ugj s ARG 9 N -5.30 1.79 -0.18 4.56 1.81 -1.26 -5.17 118.95 115.20 1ugj s ARG 9 Ca 0.64 -2.06 -0.15 0.00 -1.72 0.00 0.00 55.73 52.44 1ugj s ARG 9 Cb -0.14 -0.27 0.05 0.00 -0.45 0.00 0.00 34.95 34.14 1ugj s ARG 9 CO 0.53 -0.50 0.47 -0.51 -0.68 0.00 0.00 175.30 174.61 1ugj s LEU 10 N -3.49 0.11 -0.30 2.53 1.43 -1.26 -5.14 118.68 112.57 1ugj s LEU 10 Ca 0.31 0.96 -0.07 0.00 -1.03 0.00 0.00 54.13 54.30 1ugj s LEU 10 Cb 0.03 1.60 0.18 0.00 0.03 0.00 0.00 46.19 48.03 1ugj s LEU 10 CO 0.18 -0.17 0.77 -0.47 0.23 0.00 0.00 176.35 176.89 1ugj s TYR 11 N 0.47 -1.19 -0.11 0.29 5.04 -1.26 -5.16 117.35 115.43 1ugj s TYR 11 Ca -0.02 1.41 -0.11 0.00 -2.44 0.00 0.00 57.07 55.91 1ugj s TYR 11 Cb -0.04 0.47 0.03 0.00 0.35 0.00 0.00 41.96 42.77 1ugj s TYR 11 CO -0.02 -0.64 0.32 0.21 -1.34 0.00 0.00 175.55 174.08 1ugj s LYS 12 N 2.85 0.40 0.66 4.97 2.47 -1.26 -5.14 119.74 124.69 1ugj s LYS 12 Ca 0.10 0.39 -0.17 0.00 -1.56 0.00 0.00 55.97 54.73 1ugj s LYS 12 Cb -0.13 0.19 -0.11 0.00 -1.46 0.00 0.00 37.83 36.32 1ugj s LYS 12 CO -0.18 -0.06 -0.02 0.39 0.16 0.00 0.00 175.35 175.65 1ugj n GLU 13 N 2.76 0.13 -1.52 4.03 1.02 -1.26 -4.95 120.64 120.85 1ugj n GLU 13 Ca -0.14 0.06 -0.30 0.00 -0.02 0.00 0.00 57.16 56.76 1ugj n GLU 13 Cb 0.58 -1.28 0.21 0.00 -0.02 0.00 0.00 31.44 30.92 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 -1.75 -0.15 0.00 3.49 0.04 -1.26 -5.09 135.00 130.28 1ugj s PRO 14 Ca 0.57 -0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.41 1ugj s PRO 14 Cb -0.40 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1ugj s PRO 14 CO 0.66 -2.98 0.00 0.45 0.04 0.00 0.00 177.00 175.17 1ugj n SER 15 N -4.21 0.00 -4.55 6.66 2.88 -1.26 -5.10 113.62 108.04 1ugj n SER 15 Ca 0.14 0.00 -0.46 0.00 -1.33 0.00 0.00 58.87 57.22 1ugj n SER 15 Cb 0.59 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.01 1ugj n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ugj n ALA 16 N 0.00 1.52 -2.73 -1.46 0.00 -1.26 -4.78 120.51 111.80 1ugj n ALA 16 Ca 0.00 -0.17 -0.05 0.00 0.00 0.00 0.00 53.44 53.22 1ugj n ALA 16 Cb 0.00 -2.78 0.04 0.00 0.00 0.00 0.00 19.45 16.71 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 8.51 1.71 -1.23 0.00 4.76 -1.26 -5.11 118.16 125.54 1ugj n LYS 17 Ca 0.34 -3.50 -0.39 0.00 -2.87 0.00 0.00 58.31 51.89 1ugj n LYS 17 Cb 0.37 -1.55 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 1ugj n LYS 17 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1ugj n SER 18 N -0.44 -3.15 -0.87 4.39 2.88 -1.26 -4.90 113.62 110.28 1ugj n SER 18 Ca 0.11 0.71 0.05 0.00 -1.33 0.00 0.00 58.87 58.40 1ugj n SER 18 Cb 0.81 -0.83 0.10 0.00 -0.75 0.00 0.00 64.21 63.54 1ugj n SER 18 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1ugj n ASN 19 N 2.33 1.28 -0.11 -3.46 6.94 -0.71 -4.80 115.26 116.73 1ugj n ASN 19 Ca 0.09 -2.81 -0.10 0.00 -0.02 0.00 0.00 54.58 51.74 1ugj n ASN 19 Cb 0.42 -0.38 -0.03 0.00 -2.36 0.00 0.00 39.78 37.43 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 0.74 0.56 0.00 -3.83 3.64 -1.90 -1.57 116.57 114.20 1ugj h LYS 20 Ca -0.09 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1ugj h LYS 20 Cb 1.40 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 1ugj h LYS 20 CO 0.04 0.65 0.00 0.74 -2.27 0.00 0.00 179.45 178.61 1ugj h PHE 21 N 0.38 0.00 0.00 1.91 0.04 -1.92 0.21 116.94 117.56 1ugj h PHE 21 Ca 0.10 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.67 1ugj h PHE 21 Cb 0.38 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.50 1ugj h PHE 21 CO 0.03 0.00 -1.04 0.82 -0.60 0.00 0.00 178.31 177.52 1ugj h ILE 22 N 0.00 1.30 0.17 -0.55 2.04 -1.73 -3.26 117.51 115.47 1ugj h ILE 22 Ca 0.00 -2.94 -0.31 0.00 1.00 0.00 0.00 64.86 62.61 1ugj h ILE 22 Cb 0.33 2.63 0.01 0.00 -0.74 0.00 0.00 36.82 39.04 1ugj h ILE 22 CO 0.00 0.74 -1.54 0.40 0.00 0.00 0.00 178.15 177.76 1ugj h ILE 23 N 0.00 1.05 -1.05 -0.67 1.08 -0.31 -2.18 117.51 115.42 1ugj h ILE 23 Ca -0.07 -2.49 0.29 0.00 -0.39 0.00 0.00 64.86 62.21 1ugj h ILE 23 Cb 1.71 2.81 -0.06 0.00 -3.07 0.00 0.00 36.82 38.22 1ugj h ILE 23 CO 0.10 0.79 0.73 -0.74 -0.69 0.00 0.00 178.15 178.34 1ugj h HIS 24 N -0.07 0.20 0.08 1.37 2.76 -0.73 0.56 115.15 119.32 1ugj h HIS 24 Ca -0.31 0.01 -0.34 0.00 -2.20 0.00 0.00 60.37 57.53 1ugj h HIS 24 Cb 1.95 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 30.83 1ugj h HIS 24 CO 0.12 0.02 -1.90 0.09 -1.30 0.00 0.00 177.93 174.96 1ugj n ASN 25 N -4.34 1.70 -0.29 3.26 3.02 -1.23 -3.31 115.26 114.07 1ugj n ASN 25 Ca 0.23 0.28 0.05 0.00 -0.03 0.00 0.00 54.58 55.11 1ugj n ASN 25 Cb 1.04 -0.59 0.26 0.00 -0.61 0.00 0.00 39.78 39.88 1ugj n ASN 25 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ugj h ALA 26 N 0.39 1.56 0.13 5.41 0.00 0.35 1.45 119.26 128.55 1ugj h ALA 26 Ca -0.38 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1ugj h ALA 26 Cb 2.03 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.58 1ugj h ALA 26 CO 0.09 0.29 -0.06 -0.07 0.00 0.00 0.00 179.25 179.50 1ugj h LEU 27 N 0.97 -0.15 0.00 0.00 3.38 -0.26 -2.36 115.31 116.89 1ugj h LEU 27 Ca 0.39 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1ugj h LEU 27 Cb 0.26 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1ugj h LEU 27 CO -0.15 0.27 0.00 -1.20 0.09 0.00 0.00 178.44 177.45 1ugj n SER 28 N -4.98 0.00 -0.05 -0.43 7.64 -0.81 0.62 113.62 115.60 1ugj n SER 28 Ca -0.09 -0.49 -0.18 0.00 1.01 0.00 0.00 58.87 59.13 1ugj n SER 28 Cb 0.24 -0.08 -0.13 0.00 -1.01 0.00 0.00 64.21 63.23 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 0.12 0.00 1.43 3.86 0.24 -3.43 115.15 117.37 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 0.06 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.52 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 -5.21 0.50 -4.51 0.00 4.77 0.20 -3.43 117.00 109.32 1ugj n LEU 32 Ca 0.37 -3.48 -0.35 0.00 -0.03 0.00 0.00 56.01 52.52 1ugj n LEU 32 Cb 1.24 0.32 -0.12 0.00 -2.33 0.00 0.00 43.42 42.54 1ugj n LEU 32 CO 0.01 1.54 -0.30 0.00 -1.33 0.00 0.00 177.39 177.31 1ugj s ALA 33 N -2.26 3.16 0.00 -1.18 0.00 -0.57 -4.41 121.76 116.50 1ugj s ALA 33 Ca 0.24 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.29 1ugj s ALA 33 Cb 0.42 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.70 1ugj s ALA 33 CO -0.02 -0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.10 1ugj n GLY 34 N 4.04 0.17 0.13 0.00 0.00 -1.26 -4.84 105.19 103.43 1ugj n GLY 34 Ca -0.17 -1.67 -0.20 0.00 0.00 0.00 0.00 46.02 43.98 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 0.69 -0.35 1.61 3.00 -1.26 -3.77 118.16 118.08 1ugj n LYS 35 Ca 0.00 0.20 0.05 0.00 -0.00 0.00 0.00 58.31 58.56 1ugj n LYS 35 Cb 0.00 -1.60 0.21 0.00 0.00 0.00 0.00 35.03 33.64 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 -0.00 0.95 -0.96 3.15 -1.51 -2.00 0.19 116.25 116.08 1ugj h VAL 36 Ca -0.52 -0.34 -0.57 0.00 -1.23 0.00 0.00 66.70 64.04 1ugj h VAL 36 Cb 1.94 -0.13 -0.29 0.00 -2.13 0.00 0.00 31.29 30.69 1ugj h VAL 36 CO -0.03 0.18 0.73 0.59 -1.23 0.00 0.00 177.57 177.81 1ugj n ASN 37 N -4.62 5.55 0.12 4.19 3.02 -1.26 -4.38 115.26 117.89 1ugj n ASN 37 Ca 0.17 -3.63 -0.24 0.00 -0.03 0.00 0.00 54.58 50.85 1ugj n ASN 37 Cb 0.30 -0.90 -0.15 0.00 -0.61 0.00 0.00 39.78 38.42 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 1.43 0.54 0.09 3.52 4.81 -0.71 -2.43 114.58 121.81 1ugj h GLU 38 Ca 0.60 -0.86 -0.00 0.00 -0.13 0.00 0.00 59.36 58.97 1ugj h GLU 38 Cb 1.86 0.31 0.00 0.00 0.63 0.00 0.00 28.75 31.56 1ugj h GLU 38 CO 1.28 1.40 -0.04 -1.00 -0.73 0.00 0.00 179.01 179.92 1ugj h PRO 39 N 0.11 -0.11 0.18 0.92 0.13 -1.76 -3.18 132.00 128.28 1ugj h PRO 39 Ca -0.23 0.01 0.01 0.00 -0.87 0.00 0.00 66.00 64.92 1ugj h PRO 39 Cb 2.04 0.03 -0.03 0.00 0.13 0.00 0.00 31.00 33.17 1ugj h PRO 39 CO 0.25 0.41 -0.26 0.37 -0.23 0.00 0.00 178.00 178.54 1ugj h GLN 40 N -0.87 -0.49 -0.94 0.86 4.15 -1.84 -0.67 115.11 115.31 1ugj h GLN 40 Ca -0.01 0.03 0.11 0.00 0.77 0.00 0.00 58.65 59.55 1ugj h GLN 40 Cb 0.58 0.11 -0.13 0.00 0.21 0.00 0.00 27.48 28.25 1ugj h GLN 40 CO 0.02 -0.33 -0.47 1.17 -1.93 0.00 0.00 178.83 177.29 1ugj n LYS 41 N -5.38 -0.32 -0.29 1.69 4.81 -0.92 0.20 118.16 117.95 1ugj n LYS 41 Ca -0.07 1.43 -0.00 0.00 -0.87 0.00 0.00 58.31 58.79 1ugj n LYS 41 Cb 0.29 -2.12 0.12 0.00 0.02 0.00 0.00 35.03 33.35 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 0.78 0.13 3.14 2.35 -1.44 0.32 115.58 120.86 1ugj h ASN 42 Ca 0.23 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 56.00 1ugj h ASN 42 Cb 0.47 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.69 1ugj h ASN 42 CO -0.91 0.51 -0.00 0.03 -1.65 0.00 0.00 177.43 175.41 1ugj h ARG 43 N 0.92 0.00 0.00 0.81 2.47 0.39 0.48 114.38 119.46 1ugj h ARG 43 Ca 0.35 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 59.01 1ugj h ARG 43 Cb 0.14 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.45 1ugj h ARG 43 CO -0.16 0.00 -0.53 0.82 0.56 0.00 0.00 179.97 180.66 1ugj h ILE 44 N 0.00 0.44 -0.79 2.04 1.08 0.36 -3.01 117.51 117.62 1ugj h ILE 44 Ca -0.00 -1.45 0.16 0.00 -0.39 0.00 0.00 64.86 63.18 1ugj h ILE 44 Cb 0.07 0.95 -0.10 0.00 -3.07 0.00 0.00 36.82 34.66 1ugj h ILE 44 CO 0.00 0.15 0.31 -0.07 -0.69 0.00 0.00 178.15 177.85 1ugj h LEU 45 N -1.00 0.26 -0.67 1.44 -0.00 -0.58 0.90 115.31 115.65 1ugj h LEU 45 Ca -0.09 0.13 -0.02 0.00 -0.00 0.00 0.00 57.88 57.89 1ugj h LEU 45 Cb 0.66 0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 41.40 1ugj h LEU 45 CO -0.05 0.06 0.33 1.05 -0.00 0.00 0.00 178.44 179.83 1ugj h GLU 46 N 0.41 0.96 -0.12 1.13 4.11 -1.07 0.47 114.58 120.47 1ugj h GLU 46 Ca 0.45 -0.14 -0.02 0.00 0.07 0.00 0.00 59.36 59.72 1ugj h GLU 46 Cb 0.74 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1ugj h GLU 46 CO -0.45 0.76 -0.02 0.93 0.07 0.00 0.00 179.01 180.30 1ugj h GLU 47 N 0.92 0.23 -0.76 1.06 4.39 -0.43 0.22 114.58 120.21 1ugj h GLU 47 Ca 0.23 -0.08 0.07 0.00 0.34 0.00 0.00 59.36 59.92 1ugj h GLU 47 Cb 0.11 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 28.68 1ugj h GLU 47 CO -0.03 0.50 0.44 0.82 -1.16 0.00 0.00 179.01 179.58 1ugj h ILE 48 N -0.07 0.96 -0.39 3.13 2.04 0.84 1.36 117.51 125.38 1ugj h ILE 48 Ca 0.03 -0.27 -0.10 0.00 1.00 0.00 0.00 64.86 65.52 1ugj h ILE 48 Cb 0.41 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1ugj h ILE 48 CO 0.01 0.14 -0.16 -0.33 0.00 0.00 0.00 178.15 177.82 1ugj h GLU 49 N 0.78 0.80 0.00 2.37 4.39 -0.75 -2.44 114.58 119.73 1ugj h GLU 49 Ca 0.35 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1ugj h GLU 49 Cb 0.25 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1ugj h GLU 49 CO -0.20 0.96 0.00 1.57 -1.16 0.00 0.00 179.01 180.17 1ugj h LYS 50 N 0.60 0.00 -6.40 2.33 2.10 0.53 -3.43 116.57 112.30 1ugj h LYS 50 Ca 0.09 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 58.20 1ugj h LYS 50 Cb 0.70 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.00 1ugj h LYS 50 CO 0.05 0.00 0.13 0.45 -2.00 0.00 0.00 179.45 178.08 1ugj s SER 51 N -5.53 7.27 -0.11 7.07 0.15 0.46 -4.94 113.70 118.07 1ugj s SER 51 Ca 0.03 1.51 0.08 0.00 0.70 0.00 0.00 55.95 58.27 1ugj s SER 51 Cb 0.08 -2.46 0.43 0.00 -1.71 0.00 0.00 66.02 62.37 1ugj s SER 51 CO 0.55 0.18 1.19 0.29 1.20 0.00 0.00 173.24 176.64 1ugj n LYS 52 N 1.92 2.97 -2.95 5.44 4.01 -1.26 -4.88 118.16 123.41 1ugj n LYS 52 Ca -0.06 -1.67 -0.34 0.00 -0.51 0.00 0.00 58.31 55.73 1ugj n LYS 52 Cb 0.49 -1.85 -0.06 0.00 -0.51 0.00 0.00 35.03 33.10 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 -1.90 3.21 -0.22 7.82 0.00 -1.26 -4.96 121.76 124.45 1ugj s ALA 53 Ca 0.29 0.27 0.08 0.00 0.00 0.00 0.00 51.96 52.60 1ugj s ALA 53 Cb 0.21 -2.99 -0.10 0.00 0.00 0.00 0.00 23.12 20.25 1ugj s ALA 53 CO 0.10 0.23 0.26 0.27 0.00 0.00 0.00 175.76 176.62 1ugj n ASN 54 N -0.16 1.45 -3.99 0.00 6.94 -1.26 -4.92 115.26 113.32 1ugj n ASN 54 Ca 0.04 -0.42 -0.30 0.00 -0.02 0.00 0.00 54.58 53.87 1ugj n ASN 54 Cb 0.53 1.13 -0.16 0.00 -2.36 0.00 0.00 39.78 38.92 1ugj n ASN 54 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1ugj s HIS 55 N -2.02 2.41 0.39 -2.53 5.04 -1.26 -1.74 115.29 115.58 1ugj s HIS 55 Ca 0.01 -1.60 0.08 0.00 -1.54 0.00 0.00 55.06 52.01 1ugj s HIS 55 Cb 0.05 -1.63 -0.06 0.00 0.04 0.00 0.00 32.58 30.98 1ugj s HIS 55 CO 0.31 -0.74 0.11 -0.06 -2.34 0.00 0.00 174.74 172.02 1ugj s PHE 56 N 1.40 2.59 0.02 3.88 0.08 -1.26 0.92 117.98 125.60 1ugj s PHE 56 Ca -0.01 -0.55 -0.19 0.00 0.12 0.00 0.00 56.93 56.30 1ugj s PHE 56 Cb -0.16 -1.79 0.04 0.00 -0.57 0.00 0.00 43.02 40.53 1ugj s PHE 56 CO -0.08 0.31 0.41 -0.51 -0.10 0.00 0.00 175.22 175.25 1ugj s LEU 57 N -3.82 0.41 -0.17 -0.37 1.02 -0.43 -4.73 118.68 110.58 1ugj s LEU 57 Ca 0.38 0.09 -0.07 0.00 0.02 0.00 0.00 54.13 54.56 1ugj s LEU 57 Cb 0.03 1.70 -0.04 0.00 0.02 0.00 0.00 46.19 47.91 1ugj s LEU 57 CO 0.21 -0.60 0.05 -0.63 0.02 0.00 0.00 176.35 175.39 1ugj s ILE 58 N -2.06 4.66 -0.42 -0.59 1.01 -1.26 -1.56 121.20 120.98 1ugj s ILE 58 Ca -0.08 -0.08 -0.18 0.00 0.00 0.00 0.00 60.65 60.31 1ugj s ILE 58 Cb -0.02 -3.09 0.02 0.00 0.01 0.00 0.00 42.46 39.39 1ugj s ILE 58 CO 0.01 0.47 0.47 -0.22 0.00 0.00 0.00 174.94 175.67 1ugj s LEU 59 N 0.29 4.79 0.69 2.97 2.96 0.29 -3.01 118.68 127.66 1ugj s LEU 59 Ca 0.03 -0.60 0.01 0.00 -0.22 0.00 0.00 54.13 53.34 1ugj s LEU 59 Cb -0.13 -2.45 0.12 0.00 0.50 0.00 0.00 46.19 44.23 1ugj s LEU 59 CO 0.01 -0.61 0.95 -0.36 -1.32 0.00 0.00 176.35 175.02 1ugj s PHE 60 N 2.25 1.66 -0.06 5.38 0.08 -1.24 0.19 117.98 126.25 1ugj s PHE 60 Ca 0.14 -0.31 -0.18 0.00 0.12 0.00 0.00 56.93 56.70 1ugj s PHE 60 Cb -0.17 -2.88 -0.13 0.00 -0.57 0.00 0.00 43.02 39.27 1ugj s PHE 60 CO 0.14 -1.58 0.71 -0.09 -0.10 0.00 0.00 175.22 174.30 1ugj h ARG 61 N -0.40 -0.24 0.00 0.44 9.65 -1.93 -3.45 114.38 118.45 1ugj h ARG 61 Ca -0.36 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.54 1ugj h ARG 61 Cb 1.27 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.91 1ugj h ARG 61 CO 0.41 0.13 0.00 -3.47 2.80 0.00 0.00 179.97 179.84 1ugj n ASP 62 N -4.93 0.00 0.00 -3.80 2.03 -1.26 -4.92 116.55 103.67 1ugj n ASP 62 Ca -0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.24 1ugj n ASP 62 Cb 0.24 0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.64 1ugj n ASP 62 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1ugj n SER 63 N -1.75 0.59 -0.51 1.67 3.41 -1.26 -4.79 113.62 110.98 1ugj n SER 63 Ca 0.00 0.00 0.41 0.00 -0.26 0.00 0.00 58.87 59.02 1ugj n SER 63 Cb 0.00 0.00 0.68 0.00 -0.26 0.00 0.00 64.21 64.63 1ugj n SER 63 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ugj n SER 64 N -2.27 0.15 -2.46 4.04 7.64 -1.26 -4.73 113.62 114.73 1ugj n SER 64 Ca 0.00 1.22 -0.14 0.00 1.01 0.00 0.00 58.87 60.96 1ugj n SER 64 Cb 0.16 -0.60 0.05 0.00 -1.01 0.00 0.00 64.21 62.81 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 -5.64 3.33 -0.06 0.00 -2.07 -1.26 -4.88 119.66 109.09 1ugj s GLN 66 Ca 0.30 -0.67 -0.39 0.00 -1.82 0.00 0.00 55.36 52.78 1ugj s GLN 66 Cb -0.13 -3.14 -0.17 0.00 -1.09 0.00 0.00 33.01 28.47 1ugj s GLN 66 CO 0.46 -0.26 1.41 0.34 -1.32 0.00 0.00 175.29 175.91 1ugj n PHE 67 N 4.83 1.51 -0.02 9.60 -0.00 -1.22 -3.51 117.46 128.64 1ugj n PHE 67 Ca -0.17 0.72 -0.01 0.00 -0.00 0.00 0.00 57.45 57.99 1ugj n PHE 67 Cb 0.50 -2.31 -0.05 0.00 -0.00 0.00 0.00 39.48 37.62 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 3.12 2.19 -3.58 -4.13 5.12 0.52 -4.95 116.66 114.94 1ugj n ARG 68 Ca 0.21 -0.02 -0.06 0.00 -1.93 0.00 0.00 57.85 56.05 1ugj n ARG 68 Cb 0.14 -1.16 -0.03 0.00 -1.16 0.00 0.00 32.46 30.25 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 -2.24 -2.00 -0.09 7.54 0.00 -1.14 -4.23 121.76 119.60 1ugj s ALA 69 Ca -0.03 1.53 -0.02 0.00 0.00 0.00 0.00 51.96 53.44 1ugj s ALA 69 Cb 0.03 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 1ugj s ALA 69 CO 0.26 -0.51 -0.00 -1.17 0.00 0.00 0.00 175.76 174.34 1ugj s LEU 70 N -1.86 3.54 0.30 0.00 1.98 -0.95 -0.55 118.68 121.14 1ugj s LEU 70 Ca 0.06 0.12 0.03 0.00 -2.89 0.00 0.00 54.13 51.45 1ugj s LEU 70 Cb -0.01 -1.81 -0.04 0.00 0.66 0.00 0.00 46.19 44.99 1ugj s LEU 70 CO -0.05 0.37 0.12 -0.31 -1.89 0.00 0.00 176.35 174.59 1ugj s TYR 71 N -0.81 1.65 -0.07 5.38 1.51 -0.60 -2.10 117.35 122.30 1ugj s TYR 71 Ca 0.12 -1.23 0.02 0.00 -1.01 0.00 0.00 57.07 54.97 1ugj s TYR 71 Cb -0.11 -0.97 0.02 0.00 -0.11 0.00 0.00 41.96 40.78 1ugj s TYR 71 CO 0.02 -0.34 -0.10 0.95 -1.11 0.00 0.00 175.55 174.97 1ugj s THR 72 N -3.57 1.02 0.14 -0.71 -4.23 -0.64 -1.31 115.64 106.35 1ugj s THR 72 Ca 0.35 -0.39 -0.30 0.00 -1.18 0.00 0.00 61.69 60.17 1ugj s THR 72 Cb 0.06 -0.97 -0.07 0.00 1.34 0.00 0.00 72.50 72.86 1ugj s THR 72 CO 0.15 0.34 1.18 -0.22 -0.54 0.00 0.00 174.62 175.53 1ugj s LEU 73 N 0.90 4.43 -0.29 4.79 2.96 0.26 -1.21 118.68 130.53 1ugj s LEU 73 Ca -0.10 2.12 -0.29 0.00 -0.22 0.00 0.00 54.13 55.64 1ugj s LEU 73 Cb -0.15 -3.60 0.01 0.00 0.50 0.00 0.00 46.19 42.96 1ugj s LEU 73 CO 0.01 -0.37 1.06 -0.44 -1.32 0.00 0.00 176.35 175.29 1ugj s SER 74 N 0.41 6.99 0.50 3.68 0.01 0.32 -4.55 113.70 121.06 1ugj s SER 74 Ca 0.54 1.17 0.25 0.00 1.31 0.00 0.00 55.95 59.22 1ugj s SER 74 Cb -0.31 -2.54 1.30 0.00 0.21 0.00 0.00 66.02 64.68 1ugj s SER 74 CO 0.34 -0.81 2.01 1.23 0.41 0.00 0.00 173.24 176.42 1ugj h GLY 75 N 9.87 0.00 1.93 3.44 0.00 -1.93 -1.99 103.07 114.38 1ugj h GLY 75 Ca -0.20 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.97 1ugj h GLY 75 CO 1.01 0.00 -0.76 1.05 0.00 0.00 0.00 176.54 177.84 1ugj h GLU 76 N 0.00 0.07 0.00 4.80 9.09 -1.97 -3.47 114.58 123.10 1ugj h GLU 76 Ca -0.00 -0.07 0.00 0.00 0.05 0.00 0.00 59.36 59.34 1ugj h GLU 76 Cb 0.42 0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.53 1ugj h GLU 76 CO 0.02 0.79 0.00 0.25 0.05 0.00 0.00 179.01 180.12 1ugj n THR 77 N -3.68 0.00 -0.43 -1.06 -2.24 -0.75 -5.06 114.28 101.06 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 0.73 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 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 0.32 -1.85 -0.78 1.02 -1.25 -4.58 120.64 113.53 1ugj n GLU 78 Ca 0.00 -0.59 -0.31 0.00 -0.02 0.00 0.00 57.16 56.24 1ugj n GLU 78 Cb 0.00 -0.78 0.02 0.00 -0.02 0.00 0.00 31.44 30.66 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 -0.22 3.37 -0.09 3.49 8.01 -1.26 -4.44 118.70 127.56 1ugj s GLU 79 Ca 0.00 0.69 0.05 0.00 0.01 0.00 0.00 54.97 55.72 1ugj s GLU 79 Cb 0.00 -2.06 -0.00 0.00 -4.31 0.00 0.00 34.13 27.76 1ugj s GLU 79 CO 0.00 -0.72 -0.24 -0.51 0.01 0.00 0.00 175.26 173.80 1ugj s LEU 80 N -5.25 2.08 0.06 1.80 1.43 0.20 -0.52 118.68 118.49 1ugj s LEU 80 Ca 0.56 -0.54 -0.07 0.00 -1.03 0.00 0.00 54.13 53.04 1ugj s LEU 80 Cb -0.11 -1.39 -0.05 0.00 0.03 0.00 0.00 46.19 44.66 1ugj s LEU 80 CO 0.54 0.18 0.34 -0.55 0.23 0.00 0.00 176.35 177.08 1ugj s SER 81 N 0.21 6.54 -0.62 2.29 0.15 -0.35 0.84 113.70 122.76 1ugj s SER 81 Ca -0.15 0.64 -0.27 0.00 0.70 0.00 0.00 55.95 56.87 1ugj s SER 81 Cb -0.17 -2.12 0.01 0.00 -1.71 0.00 0.00 66.02 62.04 1ugj s SER 81 CO 0.08 0.18 1.44 -0.60 1.20 0.00 0.00 173.24 175.54 1ugj s ARG 82 N -2.03 3.16 -0.02 5.44 3.52 0.31 -1.62 118.95 127.72 1ugj s ARG 82 Ca 0.33 0.27 -0.14 0.00 -0.13 0.00 0.00 55.73 56.06 1ugj s ARG 82 Cb -0.13 -4.18 -0.08 0.00 -1.56 0.00 0.00 34.95 29.00 1ugj s ARG 82 CO 0.19 -2.13 0.65 1.25 -0.81 0.00 0.00 175.30 174.46 1ugj h LEU 83 N 13.60 -0.42 -7.73 -0.88 5.85 -1.75 -3.49 115.31 120.50 1ugj h LEU 83 Ca -0.27 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.42 1ugj h LEU 83 Cb 1.09 0.11 -0.11 0.00 0.37 0.00 0.00 40.66 42.11 1ugj h LEU 83 CO 1.21 -0.08 -0.09 0.00 -0.34 0.00 0.00 178.44 179.15 1ugj s ALA 84 N -3.87 -0.68 0.00 1.25 0.00 -0.99 -5.05 121.76 112.41 1ugj s ALA 84 Ca -0.07 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.52 1ugj s ALA 84 Cb 0.01 0.81 0.00 0.00 0.00 0.00 0.00 23.12 23.94 1ugj s ALA 84 CO 0.22 -0.73 0.00 0.41 0.00 0.00 0.00 175.76 175.66 1ugj n GLY 85 N -0.28 0.41 3.63 0.00 0.00 -1.26 -2.24 105.19 105.45 1ugj n GLY 85 Ca -0.11 -1.50 -0.02 0.00 0.00 0.00 0.00 46.02 44.39 1ugj n GLY 85 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ugj s TYR 86 N 0.00 -1.22 -2.51 1.61 2.02 -1.26 -5.08 117.35 110.92 1ugj s TYR 86 Ca 0.00 2.19 0.00 0.00 -0.37 0.00 0.00 57.07 58.89 1ugj s TYR 86 Cb 0.00 0.73 0.00 0.00 -0.40 0.00 0.00 41.96 42.29 1ugj s TYR 86 CO 0.00 -0.60 0.00 0.41 -1.57 0.00 0.00 175.55 173.79 1ugj n GLY 87 N 5.09 -0.65 3.69 0.71 0.00 -1.26 -4.79 105.19 107.97 1ugj n GLY 87 Ca -0.14 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.00 4.37 0.29 1.61 0.04 -1.26 -4.90 135.00 134.15 1ugj s PRO 88 Ca 0.00 1.70 0.09 0.00 0.04 0.00 0.00 61.00 62.83 1ugj s PRO 88 Cb 0.00 -3.52 0.89 0.00 0.04 0.00 0.00 34.50 31.91 1ugj s PRO 88 CO 0.00 -0.41 1.35 -2.13 0.04 0.00 0.00 177.00 175.85 1ugj n ARG 89 N 4.93 -0.06 -4.17 4.56 0.63 -1.26 -4.47 116.66 116.82 1ugj n ARG 89 Ca 0.11 1.24 -0.11 0.00 -0.92 0.00 0.00 57.85 58.16 1ugj n ARG 89 Cb 0.46 -2.08 -0.10 0.00 0.45 0.00 0.00 32.46 31.20 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 0.02 0.01 5.15 2.01 -1.26 -0.53 115.64 115.47 1ugj s THR 90 Ca -0.09 -1.91 0.01 0.00 0.31 0.00 0.00 61.69 60.00 1ugj s THR 90 Cb 0.27 -2.37 -0.01 0.00 0.01 0.00 0.00 72.50 70.40 1ugj s THR 90 CO 0.67 -0.09 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.77 1ugj s VAL 91 N -4.12 0.29 0.34 3.82 1.01 0.25 -4.95 120.40 117.04 1ugj s VAL 91 Ca 0.34 -0.46 0.09 0.00 0.00 0.00 0.00 61.98 61.95 1ugj s VAL 91 Cb 0.06 -0.30 -0.06 0.00 0.00 0.00 0.00 36.38 36.08 1ugj s VAL 91 CO 0.09 -0.12 -0.04 0.42 0.00 0.00 0.00 175.10 175.46 1ugj s THR 92 N -0.57 2.43 -1.40 3.92 -4.23 -1.26 0.63 115.64 115.16 1ugj s THR 92 Ca -0.04 -2.09 0.23 0.00 -1.18 0.00 0.00 61.69 58.61 1ugj s THR 92 Cb -0.04 -2.72 0.38 0.00 1.34 0.00 0.00 72.50 71.45 1ugj s THR 92 CO -0.00 -0.20 1.74 -0.81 -0.54 0.00 0.00 174.62 174.81 1ugj n PRO 93 N -0.88 0.30 0.05 3.99 -0.04 -1.26 -2.06 135.00 135.10 1ugj n PRO 93 Ca -0.05 0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.61 1ugj n PRO 93 Cb 0.63 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.75 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 -1.30 3.02 -0.04 0.55 0.00 -1.26 -3.88 120.51 117.60 1ugj n ALA 94 Ca 0.10 -0.27 0.01 0.00 0.00 0.00 0.00 53.44 53.28 1ugj n ALA 94 Cb 0.19 -1.15 -0.13 0.00 0.00 0.00 0.00 19.45 18.36 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 -2.04 0.91 -1.96 0.00 2.81 -0.87 -4.95 117.12 111.02 1ugj n MET 95 Ca 0.03 -0.09 -0.42 0.00 -1.81 0.00 0.00 57.70 55.41 1ugj n MET 95 Cb 0.43 -1.42 -0.03 0.00 -0.71 0.00 0.00 33.22 31.49 1ugj n MET 95 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1ugj s VAL 96 N -2.83 3.06 -0.15 2.03 0.11 -0.97 0.89 120.40 122.54 1ugj s VAL 96 Ca -0.07 0.54 -0.11 0.00 -2.93 0.00 0.00 61.98 59.41 1ugj s VAL 96 Cb 0.08 -3.35 -0.06 0.00 -1.53 0.00 0.00 36.38 31.52 1ugj s VAL 96 CO 0.71 0.00 -0.07 -0.08 -3.33 0.00 0.00 175.10 172.33 1ugj h GLU 97 N 8.13 0.00 -5.61 1.54 4.81 -0.86 -3.45 114.58 119.13 1ugj h GLU 97 Ca -0.42 0.00 -0.46 0.00 -0.13 0.00 0.00 59.36 58.35 1ugj h GLU 97 Cb 1.20 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 30.37 1ugj h GLU 97 CO 0.92 0.20 -0.79 0.20 -0.73 0.00 0.00 179.01 178.82 1ugj s GLY 98 N -4.30 1.03 0.16 1.92 0.00 -1.11 -4.93 107.32 100.10 1ugj s GLY 98 Ca -0.16 -1.14 0.07 0.00 0.00 0.00 0.00 44.72 43.48 1ugj s GLY 98 CO 0.28 -1.17 -0.14 -0.26 0.00 0.00 0.00 173.10 171.80 1ugj s ILE 99 N -1.43 1.53 0.09 0.90 -4.36 -1.26 -1.07 121.20 115.60 1ugj s ILE 99 Ca 0.03 -1.98 -0.12 0.00 -0.26 0.00 0.00 60.65 58.32 1ugj s ILE 99 Cb -0.09 -1.81 0.01 0.00 1.25 0.00 0.00 42.46 41.82 1ugj s ILE 99 CO 0.03 -0.51 0.28 -0.31 0.24 0.00 0.00 174.94 174.67 1ugj s TYR 100 N -2.60 -0.02 0.50 1.37 1.51 0.53 -1.86 117.35 116.79 1ugj s TYR 100 Ca 0.16 -0.30 0.02 0.00 -1.01 0.00 0.00 57.07 55.94 1ugj s TYR 100 Cb -0.02 0.07 0.02 0.00 -0.11 0.00 0.00 41.96 41.92 1ugj s TYR 100 CO 0.05 -0.58 0.17 0.36 -1.11 0.00 0.00 175.55 174.43 1ugj n LYS 101 N 0.06 0.79 -4.07 -0.62 0.00 0.26 0.20 118.16 114.78 1ugj n LYS 101 Ca -0.16 -3.38 -0.33 0.00 -0.00 0.00 0.00 58.31 54.43 1ugj n LYS 101 Cb 0.62 0.68 -0.15 0.00 -0.00 0.00 0.00 35.03 36.18 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 -2.66 2.96 -0.61 5.58 6.14 -1.26 -2.43 117.35 125.08 1ugj s TYR 102 Ca 0.13 -1.79 -0.27 0.00 0.64 0.00 0.00 57.07 55.78 1ugj s TYR 102 Cb -0.01 -1.95 -0.00 0.00 0.42 0.00 0.00 41.96 40.41 1ugj s TYR 102 CO 0.08 -0.81 1.65 -0.80 0.64 0.00 0.00 175.55 176.32 1ugj s ASN 103 N 1.25 5.66 0.00 4.32 0.01 0.11 -4.79 114.94 121.50 1ugj s ASN 103 Ca 0.01 0.24 0.08 0.00 -0.71 0.00 0.00 52.86 52.48 1ugj s ASN 103 Cb -0.15 -2.54 0.31 0.00 0.41 0.00 0.00 41.25 39.28 1ugj s ASN 103 CO -0.09 -2.09 1.23 -1.20 -1.51 0.00 0.00 177.10 173.43 1ugj n SER 104 N 11.29 1.01 -0.01 -1.22 7.64 -1.26 -0.09 113.62 130.98 1ugj n SER 104 Ca 0.16 -1.92 -0.01 0.00 1.01 0.00 0.00 58.87 58.10 1ugj n SER 104 Cb 0.51 -0.12 -0.01 0.00 -1.01 0.00 0.00 64.21 63.58 1ugj n SER 104 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1ugj n ASP 105 N 0.02 3.47 0.01 6.43 -0.08 -1.26 -4.70 116.55 120.44 1ugj n ASP 105 Ca 0.08 -0.01 0.11 0.00 -1.51 0.00 0.00 54.79 53.46 1ugj n ASP 105 Cb 0.17 -0.03 -0.02 0.00 2.34 0.00 0.00 41.12 43.59 1ugj n ASP 105 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1ugj n ARG 106 N -2.60 0.17 -3.39 -0.67 1.74 -1.24 -4.97 116.66 105.70 1ugj n ARG 106 Ca -0.03 -0.02 -0.20 0.00 -0.77 0.00 0.00 57.85 56.83 1ugj n ARG 106 Cb 0.53 -1.54 0.06 0.00 -1.02 0.00 0.00 32.46 30.50 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 -1.74 -6.55 -2.09 5.56 5.02 0.87 -4.99 118.16 114.24 1ugj n LYS 107 Ca 0.03 0.70 -0.01 0.00 -2.02 0.00 0.00 58.31 57.00 1ugj n LYS 107 Cb 0.39 -5.33 -0.00 0.00 -0.02 0.00 0.00 35.03 30.07 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 -4.23 0.54 -4.72 1.97 5.12 -1.11 -4.95 116.66 109.28 1ugj n ARG 108 Ca 0.00 -0.13 -0.31 0.00 -1.93 0.00 0.00 57.85 55.49 1ugj n ARG 108 Cb 0.55 0.08 -0.13 0.00 -1.16 0.00 0.00 32.46 31.81 1ugj n ARG 108 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1ugj s PHE 109 N -1.78 2.60 0.10 -1.55 0.40 -1.26 0.06 117.98 116.54 1ugj s PHE 109 Ca 0.01 -0.23 0.02 0.00 -0.60 0.00 0.00 56.93 56.13 1ugj s PHE 109 Cb 0.00 -1.50 -0.04 0.00 0.51 0.00 0.00 43.02 41.99 1ugj s PHE 109 CO 0.01 0.24 -0.08 0.99 0.70 0.00 0.00 175.22 177.08 1ugj s THR 110 N -0.88 0.79 0.33 0.64 2.01 -1.02 -4.91 115.64 112.61 1ugj s THR 110 Ca 0.14 -1.88 0.02 0.00 0.31 0.00 0.00 61.69 60.28 1ugj s THR 110 Cb -0.11 -1.62 -0.03 0.00 0.01 0.00 0.00 72.50 70.76 1ugj s THR 110 CO 0.04 -0.79 0.51 -1.58 -0.69 0.00 0.00 174.62 172.11 1ugj s GLN 111 N -3.60 3.38 -0.08 4.92 0.74 -1.26 0.93 119.66 124.70 1ugj s GLN 111 Ca 0.11 -0.52 -0.04 0.00 0.05 0.00 0.00 55.36 54.96 1ugj s GLN 111 Cb 0.03 -2.72 -0.04 0.00 1.10 0.00 0.00 33.01 31.39 1ugj s GLN 111 CO -0.03 0.15 0.11 0.42 -0.55 0.00 0.00 175.29 175.39 1ugj s ILE 112 N -2.26 5.13 -1.46 -2.34 -1.09 -0.78 -4.69 121.20 113.72 1ugj s ILE 112 Ca 0.40 -0.05 0.23 0.00 -2.23 0.00 0.00 60.65 59.00 1ugj s ILE 112 Cb -0.09 -3.27 0.41 0.00 -1.58 0.00 0.00 42.46 37.93 1ugj s ILE 112 CO 0.34 0.52 1.74 -0.81 -1.23 0.00 0.00 174.94 175.50 1ugj n PRO 113 N 1.70 0.34 -4.33 2.79 -0.04 -1.26 -4.75 135.00 129.46 1ugj n PRO 113 Ca -0.17 0.07 -0.23 0.00 -0.04 0.00 0.00 63.50 63.12 1ugj n PRO 113 Cb 0.54 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.42 1ugj n PRO 113 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ugj s ALA 114 N -2.54 3.10 -1.94 0.55 0.00 -1.26 -5.02 121.76 114.65 1ugj s ALA 114 Ca 0.22 -1.76 0.18 0.00 0.00 0.00 0.00 51.96 50.60 1ugj s ALA 114 Cb 0.15 -0.60 0.35 0.00 0.00 0.00 0.00 23.12 23.02 1ugj s ALA 114 CO 0.34 0.22 1.27 1.63 0.00 0.00 0.00 175.76 179.23 1ugj n LYS 115 N -0.86 2.24 -3.91 0.00 5.02 -1.26 -4.62 118.16 114.77 1ugj n LYS 115 Ca -0.06 -2.05 -0.22 0.00 -2.02 0.00 0.00 58.31 53.96 1ugj n LYS 115 Cb 0.60 -1.41 -0.05 0.00 -0.02 0.00 0.00 35.03 34.15 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 -1.27 3.35 1.16 -0.18 2.01 -1.26 -4.86 115.64 114.59 1ugj s THR 116 Ca 0.31 -1.48 -0.15 0.00 0.31 0.00 0.00 61.69 60.68 1ugj s THR 116 Cb 0.18 -3.11 0.27 0.00 0.01 0.00 0.00 72.50 69.85 1ugj s THR 116 CO 0.25 -0.17 1.05 -0.04 -0.69 0.00 0.00 174.62 175.02 1ugj s MET 117 N -3.95 -0.83 0.00 4.92 -1.94 -1.26 -4.99 119.30 111.25 1ugj s MET 117 Ca 0.40 0.47 0.00 0.00 -1.71 0.00 0.00 55.69 54.85 1ugj s MET 117 Cb -0.05 -1.59 0.00 0.00 2.01 0.00 0.00 34.83 35.20 1ugj s MET 117 CO 0.25 -3.57 0.00 0.43 -0.01 0.00 0.00 175.02 172.12 1ugj n SER 118 N -4.76 0.00 0.33 3.03 7.64 -1.26 -4.97 113.62 113.64 1ugj n SER 118 Ca 0.06 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.07 1ugj n SER 118 Cb 0.57 0.00 0.70 0.00 -1.01 0.00 0.00 64.21 64.47 1ugj n SER 118 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 1ugj h MET 119 N 0.00 0.00 -1.55 1.43 1.85 -1.97 0.34 114.93 115.03 1ugj h MET 119 Ca 0.00 0.00 -0.31 0.00 -0.61 0.00 0.00 59.70 58.78 1ugj h MET 119 Cb 0.00 0.00 -0.13 0.00 0.43 0.00 0.00 31.60 31.90 1ugj h MET 119 CO 0.00 0.00 0.40 0.43 -0.40 0.00 0.00 176.91 177.34 1ugj n SER 120 N -2.82 6.43 -4.03 1.39 7.64 -1.26 -4.83 113.62 116.13 1ugj n SER 120 Ca -0.02 -3.04 -0.16 0.00 1.01 0.00 0.00 58.87 56.66 1ugj n SER 120 Cb 0.47 -1.06 -0.13 0.00 -1.01 0.00 0.00 64.21 62.47 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 -2.19 0.62 0.00 0.44 1.01 0.11 -4.18 120.40 116.20 1ugj s VAL 121 Ca 0.30 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.65 1ugj s VAL 121 Cb 0.23 -0.58 0.00 0.00 0.00 0.00 0.00 36.38 36.03 1ugj s VAL 121 CO -0.01 -0.03 0.86 0.47 0.00 0.00 0.00 175.10 176.39 1ugj n ASP 122 N 2.33 0.00 -3.65 3.32 9.92 0.55 -4.82 116.55 124.20 1ugj n ASP 122 Ca -0.17 -1.73 -0.02 0.00 -0.53 0.00 0.00 54.79 52.35 1ugj n ASP 122 Cb 0.56 -0.15 -0.04 0.00 -0.64 0.00 0.00 41.12 40.86 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 0.00 -2.13 0.12 2.24 0.00 -0.62 -4.15 121.76 117.21 1ugj s ALA 123 Ca 0.00 1.90 -0.22 0.00 0.00 0.00 0.00 51.96 53.65 1ugj s ALA 123 Cb 0.00 -1.58 0.06 0.00 0.00 0.00 0.00 23.12 21.60 1ugj s ALA 123 CO 0.00 -0.23 0.55 -0.59 0.00 0.00 0.00 175.76 175.49 1ugj s PHE 124 N -0.98 -0.45 -0.20 0.00 -0.71 -1.16 -0.34 117.98 114.13 1ugj s PHE 124 Ca 0.09 0.31 -0.03 0.00 -1.04 0.00 0.00 56.93 56.26 1ugj s PHE 124 Cb -0.01 0.44 0.06 0.00 -1.21 0.00 0.00 43.02 42.30 1ugj s PHE 124 CO -0.09 -0.76 0.05 0.95 -1.34 0.00 0.00 175.22 174.04 1ugj s THR 125 N -3.34 0.40 1.13 -4.49 -4.23 -0.23 -3.60 115.64 101.28 1ugj s THR 125 Ca -0.01 -0.53 -0.13 0.00 -1.18 0.00 0.00 61.69 59.85 1ugj s THR 125 Cb -0.00 -0.97 0.26 0.00 1.34 0.00 0.00 72.50 73.12 1ugj s THR 125 CO -0.09 -0.26 0.96 2.30 -0.54 0.00 0.00 174.62 176.99 1ugj n ILE 126 N 5.09 0.00 -0.42 2.99 -5.35 -1.26 -0.30 119.36 120.12 1ugj n ILE 126 Ca -0.08 -0.37 -0.25 0.00 -0.27 0.00 0.00 62.75 61.78 1ugj n ILE 126 Cb 0.47 -0.97 0.22 0.00 -1.74 0.00 0.00 39.64 37.62 1ugj n ILE 126 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ugj n GLN 127 N -4.64 -3.25 -0.07 6.28 1.13 0.26 -4.40 117.38 112.68 1ugj n GLN 127 Ca 0.04 -0.96 -0.06 0.00 -1.94 0.00 0.00 57.00 54.09 1ugj n GLN 127 Cb 0.54 -1.73 -0.15 0.00 0.11 0.00 0.00 30.24 29.01 1ugj n GLN 127 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ugj n GLY 128 N 2.07 -1.01 0.30 1.08 0.00 -1.26 -4.12 105.19 102.24 1ugj n GLY 128 Ca 0.08 -0.33 0.19 0.00 0.00 0.00 0.00 46.02 45.96 1ugj n GLY 128 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1ugj h HIS 129 N 0.00 0.00 0.35 1.61 2.07 -1.93 -3.02 115.15 114.23 1ugj h HIS 129 Ca -0.41 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.09 1ugj h HIS 129 Cb 1.98 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.96 1ugj h HIS 129 CO 0.00 0.01 -0.17 -0.07 -3.07 0.00 0.00 177.93 174.63 1ugj h LEU 130 N 0.00 -0.42 0.00 6.12 4.07 -1.95 -2.93 115.31 120.20 1ugj h LEU 130 Ca -0.00 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.98 1ugj h LEU 130 Cb 0.32 0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.17 1ugj h LEU 130 CO 0.00 -0.29 0.00 0.79 -1.08 0.00 0.00 178.44 177.86 1ugj n TRP 131 N -3.31 0.00 -1.01 1.13 7.02 -1.18 -2.61 117.44 117.47 1ugj n TRP 131 Ca -0.06 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.05 1ugj n TRP 131 Cb 0.19 -0.35 -0.04 0.00 -2.42 0.00 0.00 31.31 28.69 1ugj n TRP 131 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ugj n GLN 132 N -1.95 1.63 -1.12 -0.99 10.64 -1.15 -4.91 117.38 119.52 1ugj n GLN 132 Ca 0.00 -1.71 -0.33 0.00 -1.83 0.00 0.00 57.00 53.13 1ugj n GLN 132 Cb 0.00 -2.77 0.13 0.00 -0.86 0.00 0.00 30.24 26.74 1ugj n GLN 132 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1ugj s SER 133 N 4.57 3.60 0.00 2.61 0.15 -1.07 -4.73 113.70 118.83 1ugj s SER 133 Ca 0.51 2.35 0.00 0.00 0.70 0.00 0.00 55.95 59.52 1ugj s SER 133 Cb 0.13 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 1ugj s SER 133 CO 0.08 -2.66 0.00 2.29 1.20 0.00 0.00 173.24 174.15 1ugj n LYS 134 N -3.31 0.00 -3.67 5.44 2.85 -1.26 -5.08 118.16 113.13 1ugj n LYS 134 Ca 0.13 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.22 1ugj n LYS 134 Cb 0.51 0.00 -0.16 0.00 -0.65 0.00 0.00 35.03 34.72 1ugj n LYS 134 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1ugj s LYS 135 N -1.85 0.01 -0.22 -1.58 2.47 -1.26 -5.12 119.74 112.19 1ugj s LYS 135 Ca 0.00 0.53 -0.05 0.00 -1.56 0.00 0.00 55.97 54.89 1ugj s LYS 135 Cb 0.00 -0.32 0.11 0.00 -1.46 0.00 0.00 37.83 36.16 1ugj s LYS 135 CO 0.00 -0.31 0.39 -1.54 0.16 0.00 0.00 175.35 174.05 1ugj s SER 136 N 2.27 0.01 -0.40 1.43 1.04 -1.26 -5.08 113.70 111.71 1ugj s SER 136 Ca 0.03 0.61 -0.01 0.00 0.48 0.00 0.00 55.95 57.06 1ugj s SER 136 Cb -0.12 1.20 0.22 0.00 0.10 0.00 0.00 66.02 67.42 1ugj s SER 136 CO -0.05 -0.26 1.00 0.61 0.98 0.00 0.00 173.24 175.51 1ugj n GLY 137 N 5.38 -1.27 3.69 7.32 0.00 -1.26 -5.14 105.19 113.91 1ugj n GLY 137 Ca -0.06 0.94 -0.42 0.00 0.00 0.00 0.00 46.02 46.48 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 0.82 4.37 0.14 1.61 0.04 -1.26 -4.79 135.00 135.93 1ugj s PRO 138 Ca 0.26 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1ugj s PRO 138 Cb 0.11 -3.51 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1ugj s PRO 138 CO -0.10 -0.40 0.00 0.45 0.04 0.00 0.00 177.00 176.99 1ugj n SER 139 N 4.88 -0.67 -4.67 6.66 2.88 -1.26 -5.09 113.62 116.36 1ugj n SER 139 Ca 0.10 0.25 -0.40 0.00 -1.33 0.00 0.00 58.87 57.50 1ugj n SER 139 Cb 0.46 0.79 -0.06 0.00 -0.75 0.00 0.00 64.21 64.66 1ugj n SER 139 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ugj s SER 140 N -3.21 6.67 0.00 -3.46 0.01 -1.26 -5.38 113.70 107.07 1ugj s SER 140 Ca 0.00 0.82 0.00 0.00 1.31 0.00 0.00 55.95 58.08 1ugj s SER 140 Cb 0.00 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.90 1ugj s SER 140 CO 0.00 -0.22 0.43 0.61 0.41 0.00 0.00 173.24 174.47