#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 0.78 0.36 1.61 0.01 -1.26 -5.05 113.70 110.16 1ugj s SER 2 Ca 0.00 -1.05 0.00 0.00 1.31 0.00 0.00 55.95 56.21 1ugj s SER 2 Cb 0.00 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.40 1ugj s SER 2 CO 0.00 -0.57 0.00 -1.20 0.41 0.00 0.00 173.24 171.88 1ugj n SER 3 N -0.02 -3.26 0.00 2.44 7.64 -1.26 -5.18 113.62 113.98 1ugj n SER 3 Ca -0.11 0.71 0.00 0.00 1.01 0.00 0.00 58.87 60.48 1ugj n SER 3 Cb 0.62 3.14 0.00 0.00 -1.01 0.00 0.00 64.21 66.95 1ugj n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ugj n GLY 4 N -1.48 0.58 3.61 0.23 0.00 -1.26 -5.13 105.19 101.74 1ugj n GLY 4 Ca 0.00 -2.12 0.03 0.00 0.00 0.00 0.00 46.02 43.94 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 0.34 1.61 0.15 -1.26 -5.16 113.70 109.37 1ugj s SER 5 Ca 0.00 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.60 1ugj s SER 5 Cb 0.00 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.36 1ugj s SER 5 CO 0.00 -0.10 0.00 -1.20 1.20 0.00 0.00 173.24 173.14 1ugj n SER 6 N -0.54 -5.48 0.00 5.45 7.64 -1.26 -5.09 113.62 114.35 1ugj n SER 6 Ca -0.08 0.95 0.00 0.00 1.01 0.00 0.00 58.87 60.75 1ugj n SER 6 Cb 0.63 -2.67 0.00 0.00 -1.01 0.00 0.00 64.21 61.16 1ugj n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ugj n GLY 7 N -1.52 0.57 3.82 0.23 0.00 -1.26 -5.17 105.19 101.85 1ugj n GLY 7 Ca 0.00 0.60 -0.31 0.00 0.00 0.00 0.00 46.02 46.31 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 0.00 2.92 0.11 1.61 0.04 -1.26 -5.08 135.00 133.34 1ugj s PRO 8 Ca 0.00 0.94 0.00 0.00 0.04 0.00 0.00 61.00 61.99 1ugj s PRO 8 Cb 0.00 -1.99 -0.00 0.00 0.04 0.00 0.00 34.50 32.55 1ugj s PRO 8 CO 0.00 -1.11 0.01 0.54 0.04 0.00 0.00 177.00 176.48 1ugj n ARG 9 N -3.14 1.44 -0.17 4.56 1.74 -1.26 -5.09 116.66 114.74 1ugj n ARG 9 Ca 0.07 -0.86 0.00 0.00 -0.77 0.00 0.00 57.85 56.29 1ugj n ARG 9 Cb 0.54 0.30 0.00 0.00 -1.02 0.00 0.00 32.46 32.28 1ugj n ARG 9 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1ugj n LEU 10 N 0.00 -1.23 -3.70 0.55 0.00 -1.26 -5.13 117.00 106.23 1ugj n LEU 10 Ca -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 56.01 55.86 1ugj n LEU 10 Cb 0.15 -0.08 -0.06 0.00 0.00 0.00 0.00 43.42 43.43 1ugj n LEU 10 CO 0.08 0.00 0.09 -0.47 0.00 0.00 0.00 177.39 177.09 1ugj s TYR 11 N -0.27 -0.13 -0.29 1.96 6.14 -1.26 -5.16 117.35 118.33 1ugj s TYR 11 Ca 0.00 -0.12 -0.18 0.00 0.64 0.00 0.00 57.07 57.41 1ugj s TYR 11 Cb 0.00 0.17 0.18 0.00 0.42 0.00 0.00 41.96 42.73 1ugj s TYR 11 CO 0.00 -0.62 1.19 -1.59 0.64 0.00 0.00 175.55 175.18 1ugj s LYS 12 N -3.37 0.18 0.03 4.97 -2.85 -1.26 -5.05 119.74 112.39 1ugj s LYS 12 Ca 0.00 0.28 -0.09 0.00 -1.00 0.00 0.00 55.97 55.17 1ugj s LYS 12 Cb 0.01 0.05 0.00 0.00 -2.06 0.00 0.00 37.83 35.84 1ugj s LYS 12 CO -0.09 -0.03 0.18 -1.21 0.10 0.00 0.00 175.35 174.30 1ugj s GLU 13 N 0.90 0.63 0.00 1.78 2.02 -1.26 -5.17 118.70 117.60 1ugj s GLU 13 Ca -0.05 -0.57 0.00 0.00 0.02 0.00 0.00 54.97 54.37 1ugj s GLU 13 Cb -0.03 0.26 0.00 0.00 0.10 0.00 0.00 34.13 34.46 1ugj s GLU 13 CO -0.12 -0.17 0.00 -0.35 0.02 0.00 0.00 175.26 174.64 1ugj n PRO 14 N 0.89 -0.11 -3.48 0.39 -0.04 -1.26 -4.59 135.00 126.81 1ugj n PRO 14 Ca -0.20 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.06 1ugj n PRO 14 Cb 0.58 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.10 1ugj n PRO 14 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ugj n SER 15 N -2.22 -4.03 -3.74 3.54 2.88 -1.26 -4.94 113.62 103.85 1ugj n SER 15 Ca 0.00 -0.78 -0.21 0.00 -1.33 0.00 0.00 58.87 56.55 1ugj n SER 15 Cb 0.00 -4.56 0.14 0.00 -0.75 0.00 0.00 64.21 59.05 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 -3.86 -1.53 -3.15 -1.46 0.00 -1.26 -5.03 120.51 104.22 1ugj n ALA 16 Ca -0.18 -1.09 0.05 0.00 0.00 0.00 0.00 53.44 52.23 1ugj n ALA 16 Cb 0.64 -0.97 -0.00 0.00 0.00 0.00 0.00 19.45 19.12 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 -3.37 0.14 0.32 0.00 2.47 -1.26 -5.15 119.74 112.89 1ugj s LYS 17 Ca 0.39 0.16 -0.29 0.00 -1.56 0.00 0.00 55.97 54.67 1ugj s LYS 17 Cb -0.06 0.08 -0.10 0.00 -1.46 0.00 0.00 37.83 36.28 1ugj s LYS 17 CO 0.40 -0.25 1.31 -1.54 0.16 0.00 0.00 175.35 175.43 1ugj s SER 18 N 2.96 6.80 -0.32 1.43 1.04 -1.26 -4.93 113.70 119.42 1ugj s SER 18 Ca 0.23 2.65 0.07 0.00 0.48 0.00 0.00 55.95 59.38 1ugj s SER 18 Cb -0.03 -2.64 0.46 0.00 0.10 0.00 0.00 66.02 63.91 1ugj s SER 18 CO -0.21 -0.53 1.34 -0.46 0.98 0.00 0.00 173.24 174.37 1ugj n ASN 19 N 1.02 4.14 0.02 7.02 6.94 -1.13 -4.67 115.26 128.60 1ugj n ASN 19 Ca 0.01 -3.80 -0.18 0.00 -0.02 0.00 0.00 54.58 50.59 1ugj n ASN 19 Cb 0.42 -0.50 -0.13 0.00 -2.36 0.00 0.00 39.78 37.21 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 1.71 0.33 0.00 -3.83 3.64 -1.92 -2.97 116.57 113.52 1ugj h LYS 20 Ca 0.30 -0.45 -0.03 0.00 -1.27 0.00 0.00 60.65 59.21 1ugj h LYS 20 Cb 1.38 0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 33.35 1ugj h LYS 20 CO 0.64 1.16 -0.12 0.74 -2.27 0.00 0.00 179.45 179.59 1ugj h PHE 21 N -0.29 0.00 0.00 1.91 0.04 -1.92 0.34 116.94 117.01 1ugj h PHE 21 Ca -0.10 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.54 1ugj h PHE 21 Cb 1.45 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.58 1ugj h PHE 21 CO 0.18 0.12 -0.61 0.82 -0.60 0.00 0.00 178.31 178.21 1ugj h ILE 22 N 0.00 1.18 0.08 -0.55 2.04 -1.87 -3.13 117.51 115.25 1ugj h ILE 22 Ca -0.00 -2.33 -0.28 0.00 1.00 0.00 0.00 64.86 63.25 1ugj h ILE 22 Cb 0.44 2.36 -0.02 0.00 -0.74 0.00 0.00 36.82 38.87 1ugj h ILE 22 CO 0.02 0.60 -1.49 0.40 0.00 0.00 0.00 178.15 177.68 1ugj h ILE 23 N 0.00 0.90 -1.05 -0.67 1.08 -1.13 -3.00 117.51 113.64 1ugj h ILE 23 Ca -0.01 -2.31 0.32 0.00 -0.39 0.00 0.00 64.86 62.47 1ugj h ILE 23 Cb 1.31 2.52 -0.14 0.00 -3.07 0.00 0.00 36.82 37.45 1ugj h ILE 23 CO 0.08 0.64 0.62 -0.74 -0.69 0.00 0.00 178.15 178.06 1ugj h HIS 24 N -0.43 0.85 0.12 1.37 2.76 -0.43 1.27 115.15 120.66 1ugj h HIS 24 Ca -0.34 0.03 -0.27 0.00 -2.20 0.00 0.00 60.37 57.59 1ugj h HIS 24 Cb 1.68 -0.23 0.01 0.00 1.55 0.00 0.00 27.41 30.42 1ugj h HIS 24 CO 0.11 -0.12 -1.23 -0.91 -1.30 0.00 0.00 177.93 174.47 1ugj h ASN 25 N 0.33 0.45 -0.10 3.26 2.35 -1.67 -2.97 115.58 117.22 1ugj h ASN 25 Ca 0.72 -0.47 0.03 0.00 -0.55 0.00 0.00 56.30 56.03 1ugj h ASN 25 Cb 1.73 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 39.95 1ugj h ASN 25 CO -0.53 1.36 0.08 0.00 -1.65 0.00 0.00 177.43 176.69 1ugj h ALA 26 N 0.58 2.07 0.07 -0.83 0.00 0.16 1.60 119.26 122.89 1ugj h ALA 26 Ca -0.13 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1ugj h ALA 26 Cb 1.95 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1ugj h ALA 26 CO 0.20 -0.13 -0.03 -0.07 0.00 0.00 0.00 179.25 179.22 1ugj h LEU 27 N 0.00 -0.08 0.00 0.00 3.38 -0.48 -2.81 115.31 115.32 1ugj h LEU 27 Ca 0.05 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1ugj h LEU 27 Cb 0.20 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1ugj h LEU 27 CO -0.00 0.60 0.00 -1.20 0.09 0.00 0.00 178.44 177.93 1ugj n SER 28 N -4.80 0.00 -0.04 -0.43 7.64 -0.83 0.14 113.62 115.29 1ugj n SER 28 Ca -0.08 -0.87 -0.15 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 0.12 0.00 1.43 3.86 0.24 -3.42 115.15 117.38 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 0.00 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.46 1ugj h HIS 29 CO 0.00 1.07 0.00 0.00 0.86 0.00 0.00 177.93 179.86 1ugj n LEU 32 N -5.57 -0.29 -0.18 0.00 4.77 0.37 -4.79 117.00 111.31 1ugj n LEU 32 Ca 0.16 -4.54 0.02 0.00 -0.03 0.00 0.00 56.01 51.63 1ugj n LEU 32 Cb 0.52 0.78 0.03 0.00 -2.33 0.00 0.00 43.42 42.41 1ugj n LEU 32 CO -0.11 2.19 0.39 0.00 -1.33 0.00 0.00 177.39 178.53 1ugj n ALA 33 N 0.51 2.35 -2.37 -1.18 0.00 -0.61 -4.01 120.51 115.19 1ugj n ALA 33 Ca 0.19 -0.71 -0.34 0.00 0.00 0.00 0.00 53.44 52.58 1ugj n ALA 33 Cb 0.65 -0.14 -0.06 0.00 0.00 0.00 0.00 19.45 19.91 1ugj n ALA 33 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ugj s GLY 34 N -0.55 2.37 0.24 0.00 0.00 -1.26 -4.97 107.32 103.14 1ugj s GLY 34 Ca 0.06 -0.18 -0.06 0.00 0.00 0.00 0.00 44.72 44.54 1ugj s GLY 34 CO 0.05 0.03 1.85 1.70 0.00 0.00 0.00 173.10 176.73 1ugj h LYS 35 N 3.01 0.91 -1.14 2.90 1.63 -1.99 0.60 116.57 122.50 1ugj h LYS 35 Ca -0.48 -0.05 0.32 0.00 -0.85 0.00 0.00 60.65 59.59 1ugj h LYS 35 Cb 1.18 -0.21 -0.08 0.00 -0.60 0.00 0.00 32.23 32.52 1ugj h LYS 35 CO 0.67 0.60 0.77 -0.39 -3.45 0.00 0.00 179.45 177.65 1ugj h VAL 36 N 0.94 0.42 -1.02 2.00 -1.51 -2.01 1.12 116.25 116.19 1ugj h VAL 36 Ca 0.37 -0.07 -0.64 0.00 -1.23 0.00 0.00 66.70 65.13 1ugj h VAL 36 Cb 0.17 0.19 -0.34 0.00 -2.13 0.00 0.00 31.29 29.17 1ugj h VAL 36 CO -0.17 0.04 0.22 0.59 -1.23 0.00 0.00 177.57 177.02 1ugj n ASN 37 N -4.48 6.58 0.10 4.19 3.02 0.19 -4.59 115.26 120.27 1ugj n ASN 37 Ca 0.27 -3.78 -0.22 0.00 -0.03 0.00 0.00 54.58 50.82 1ugj n ASN 37 Cb 1.09 -0.74 -0.14 0.00 -0.61 0.00 0.00 39.78 39.38 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 2.17 0.54 -0.06 3.52 4.81 0.15 -0.74 114.58 124.97 1ugj h GLU 38 Ca 0.51 -0.79 -0.25 0.00 -0.13 0.00 0.00 59.36 58.70 1ugj h GLU 38 Cb 1.01 0.27 0.02 0.00 0.63 0.00 0.00 28.75 30.68 1ugj h GLU 38 CO 1.26 1.36 -0.94 -1.00 -0.73 0.00 0.00 179.01 178.96 1ugj h PRO 39 N 0.10 0.74 0.17 0.92 0.13 -1.81 -3.21 132.00 129.04 1ugj h PRO 39 Ca -0.19 -0.72 -0.01 0.00 -0.87 0.00 0.00 66.00 64.21 1ugj h PRO 39 Cb 1.91 0.18 0.00 0.00 0.13 0.00 0.00 31.00 33.22 1ugj h PRO 39 CO 0.23 1.30 -0.08 0.37 -0.23 0.00 0.00 178.00 179.59 1ugj h GLN 40 N 0.44 -0.22 -0.84 0.86 4.15 -1.87 -2.88 115.11 114.75 1ugj h GLN 40 Ca -0.10 0.02 0.11 0.00 0.77 0.00 0.00 58.65 59.44 1ugj h GLN 40 Cb 1.58 0.05 -0.12 0.00 0.21 0.00 0.00 27.48 29.20 1ugj h GLN 40 CO 0.19 0.20 -0.39 1.17 -1.93 0.00 0.00 178.83 178.06 1ugj n LYS 41 N -4.96 -0.26 -0.04 1.69 4.81 -0.28 0.16 118.16 119.28 1ugj n LYS 41 Ca -0.08 1.28 -0.08 0.00 -0.87 0.00 0.00 58.31 58.55 1ugj n LYS 41 Cb 0.26 -1.89 -0.02 0.00 0.02 0.00 0.00 35.03 33.41 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 -0.43 -0.95 3.14 2.35 -1.61 0.11 115.58 118.20 1ugj h ASN 42 Ca 0.23 0.09 0.21 0.00 -0.55 0.00 0.00 56.30 56.29 1ugj h ASN 42 Cb 0.44 0.22 -0.08 0.00 0.05 0.00 0.00 38.32 38.95 1ugj h ASN 42 CO -0.81 -0.17 0.62 0.03 -1.65 0.00 0.00 177.43 175.45 1ugj h ARG 43 N -0.12 0.44 0.54 0.81 2.47 0.18 0.35 114.38 119.05 1ugj h ARG 43 Ca 0.12 -0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.78 1ugj h ARG 43 Cb 0.30 -0.10 0.01 0.00 -1.65 0.00 0.00 29.97 28.52 1ugj h ARG 43 CO -0.28 0.29 -0.26 0.82 0.56 0.00 0.00 179.97 181.11 1ugj h ILE 44 N 0.46 0.00 -0.65 2.04 1.08 0.20 -1.21 117.51 119.43 1ugj h ILE 44 Ca 0.51 -0.44 0.13 0.00 -0.39 0.00 0.00 64.86 64.68 1ugj h ILE 44 Cb 1.20 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 34.83 1ugj h ILE 44 CO -0.23 0.00 -0.12 -0.07 -0.69 0.00 0.00 178.15 177.05 1ugj h LEU 45 N -1.16 -0.52 -0.00 1.44 -0.00 -0.05 0.51 115.31 115.54 1ugj h LEU 45 Ca -0.07 0.19 0.03 0.00 -0.00 0.00 0.00 57.88 58.03 1ugj h LEU 45 Cb 0.55 0.37 -0.04 0.00 -0.00 0.00 0.00 40.66 41.54 1ugj h LEU 45 CO 0.12 -0.20 -0.25 -0.33 -0.00 0.00 0.00 178.44 177.79 1ugj h GLU 46 N 0.03 -0.37 -0.52 1.13 4.39 -0.36 0.31 114.58 119.18 1ugj h GLU 46 Ca 0.32 0.03 0.10 0.00 0.34 0.00 0.00 59.36 60.15 1ugj h GLU 46 Cb 0.51 0.08 -0.10 0.00 -0.10 0.00 0.00 28.75 29.14 1ugj h GLU 46 CO -0.64 -0.25 -0.15 0.93 -1.16 0.00 0.00 179.01 177.74 1ugj h GLU 47 N -0.39 -0.03 -0.21 2.33 4.39 0.30 1.40 114.58 122.37 1ugj h GLU 47 Ca 0.06 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.77 1ugj h GLU 47 Cb 0.47 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 1ugj h GLU 47 CO -0.22 -0.02 0.11 0.82 -1.16 0.00 0.00 179.01 178.55 1ugj h ILE 48 N -0.03 1.01 0.00 3.13 2.04 -0.35 1.48 117.51 124.79 1ugj h ILE 48 Ca 0.25 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.99 1ugj h ILE 48 Cb 0.40 0.75 -0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1ugj h ILE 48 CO -0.55 0.04 -0.14 -0.33 0.00 0.00 0.00 178.15 177.18 1ugj h GLU 49 N 0.24 0.00 0.00 2.37 4.39 0.15 -1.04 114.58 120.69 1ugj h GLU 49 Ca 0.08 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.65 1ugj h GLU 49 Cb 0.01 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1ugj h GLU 49 CO -0.05 0.14 -0.94 1.57 -1.16 0.00 0.00 179.01 178.58 1ugj h LYS 50 N 0.00 0.00 -6.69 2.33 2.10 0.31 -3.45 116.57 111.17 1ugj h LYS 50 Ca -0.00 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 58.13 1ugj h LYS 50 Cb 0.27 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 31.62 1ugj h LYS 50 CO 0.02 0.44 0.59 0.45 -2.00 0.00 0.00 179.45 178.94 1ugj s SER 51 N -6.17 7.01 -0.33 7.07 0.15 0.49 -4.91 113.70 117.03 1ugj s SER 51 Ca 0.01 2.32 0.02 0.00 0.70 0.00 0.00 55.95 59.00 1ugj s SER 51 Cb 0.08 -2.61 0.44 0.00 -1.71 0.00 0.00 66.02 62.22 1ugj s SER 51 CO 0.78 -0.42 1.67 1.17 1.20 0.00 0.00 173.24 177.64 1ugj n LYS 52 N 2.39 1.89 -4.27 5.44 4.81 -1.26 -4.89 118.16 122.27 1ugj n LYS 52 Ca 0.04 -2.09 -0.26 0.00 -0.87 0.00 0.00 58.31 55.14 1ugj n LYS 52 Cb 0.44 -1.82 -0.08 0.00 0.02 0.00 0.00 35.03 33.59 1ugj n LYS 52 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ugj s ALA 53 N -2.30 3.06 -0.13 3.14 0.00 -1.26 -5.02 121.76 119.24 1ugj s ALA 53 Ca 0.40 -1.47 0.15 0.00 0.00 0.00 0.00 51.96 51.03 1ugj s ALA 53 Cb 0.33 -0.82 -0.22 0.00 0.00 0.00 0.00 23.12 22.42 1ugj s ALA 53 CO 0.07 0.43 0.37 0.27 0.00 0.00 0.00 175.76 176.90 1ugj n ASN 54 N -0.18 1.46 -4.77 0.00 6.94 -1.26 -4.94 115.26 112.51 1ugj n ASN 54 Ca -0.10 -0.14 -0.36 0.00 -0.02 0.00 0.00 54.58 53.97 1ugj n ASN 54 Cb 0.56 1.56 -0.07 0.00 -2.36 0.00 0.00 39.78 39.47 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 -2.92 3.48 -0.07 -2.53 2.46 -1.26 -2.83 115.29 111.62 1ugj s HIS 55 Ca -0.04 0.46 -0.03 0.00 0.47 0.00 0.00 55.06 55.93 1ugj s HIS 55 Cb 0.10 -2.15 0.04 0.00 -0.13 0.00 0.00 32.58 30.43 1ugj s HIS 55 CO 0.61 0.40 0.13 -0.06 -2.47 0.00 0.00 174.74 173.35 1ugj s PHE 56 N -0.00 -0.12 0.26 3.88 0.40 -1.26 -3.10 117.98 118.04 1ugj s PHE 56 Ca 0.12 0.51 0.09 0.00 -0.60 0.00 0.00 56.93 57.05 1ugj s PHE 56 Cb -0.12 -0.30 -0.04 0.00 0.51 0.00 0.00 43.02 43.07 1ugj s PHE 56 CO 0.01 -0.24 0.07 -0.51 0.70 0.00 0.00 175.22 175.25 1ugj s LEU 57 N 2.16 3.42 -0.27 -0.37 1.02 0.17 -4.79 118.68 120.02 1ugj s LEU 57 Ca 0.02 -0.50 -0.04 0.00 0.02 0.00 0.00 54.13 53.63 1ugj s LEU 57 Cb -0.12 -1.94 0.02 0.00 0.02 0.00 0.00 46.19 44.16 1ugj s LEU 57 CO -0.05 -0.01 0.00 -0.63 0.02 0.00 0.00 176.35 175.68 1ugj s ILE 58 N -2.25 3.38 0.05 -0.59 1.01 -1.25 -1.19 121.20 120.35 1ugj s ILE 58 Ca 0.32 -0.86 -0.28 0.00 0.00 0.00 0.00 60.65 59.83 1ugj s ILE 58 Cb -0.07 -2.73 -0.05 0.00 0.01 0.00 0.00 42.46 39.63 1ugj s ILE 58 CO 0.22 0.15 0.90 -0.22 0.00 0.00 0.00 174.94 175.99 1ugj s LEU 59 N 1.41 4.43 -0.10 2.97 2.96 0.13 -3.03 118.68 127.46 1ugj s LEU 59 Ca 0.01 1.62 0.00 0.00 -0.22 0.00 0.00 54.13 55.55 1ugj s LEU 59 Cb -0.17 -3.46 -0.02 0.00 0.50 0.00 0.00 46.19 43.04 1ugj s LEU 59 CO -0.01 -0.11 -0.10 -0.36 -1.32 0.00 0.00 176.35 174.45 1ugj s PHE 60 N 0.37 2.86 0.45 5.38 0.40 -1.24 0.15 117.98 126.35 1ugj s PHE 60 Ca 0.46 -0.26 0.27 0.00 -0.60 0.00 0.00 56.93 56.80 1ugj s PHE 60 Cb -0.21 -1.77 1.32 0.00 0.51 0.00 0.00 43.02 42.86 1ugj s PHE 60 CO 0.27 0.09 1.73 -0.09 0.70 0.00 0.00 175.22 177.91 1ugj h ARG 61 N 5.92 0.20 0.00 0.44 1.12 -1.89 -3.42 114.38 116.75 1ugj h ARG 61 Ca -0.39 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.47 1ugj h ARG 61 Cb 1.18 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 31.10 1ugj h ARG 61 CO 0.55 0.13 0.00 -3.47 -3.11 0.00 0.00 179.97 174.07 1ugj n ASP 62 N -4.52 0.00 -4.70 -3.80 2.03 -1.26 -5.04 116.55 99.26 1ugj n ASP 62 Ca 0.30 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 55.23 1ugj n ASP 62 Cb 1.17 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 41.50 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 -1.08 6.49 -0.75 1.67 0.01 -1.26 -4.95 113.70 113.82 1ugj s SER 63 Ca 0.00 0.58 -0.06 0.00 1.31 0.00 0.00 55.95 57.78 1ugj s SER 63 Cb 0.00 -2.23 -0.09 0.00 0.21 0.00 0.00 66.02 63.91 1ugj s SER 63 CO 0.00 -0.01 2.29 -1.20 0.41 0.00 0.00 173.24 174.73 1ugj n SER 64 N 4.06 4.90 0.02 2.44 7.64 -1.26 -2.91 113.62 128.51 1ugj n SER 64 Ca -0.09 -2.29 0.00 0.00 1.01 0.00 0.00 58.87 57.50 1ugj n SER 64 Cb 0.51 -1.09 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 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 -2.00 4.09 0.03 0.00 -2.07 -1.15 -4.95 119.66 113.62 1ugj s GLN 66 Ca 0.00 0.35 -0.26 0.00 -1.82 0.00 0.00 55.36 53.63 1ugj s GLN 66 Cb 0.00 -3.32 -0.05 0.00 -1.09 0.00 0.00 33.01 28.55 1ugj s GLN 66 CO 0.00 0.45 0.83 0.12 -1.32 0.00 0.00 175.29 175.37 1ugj s PHE 67 N -0.29 3.71 -0.25 9.60 2.19 -1.26 -4.05 117.98 127.62 1ugj s PHE 67 Ca 0.23 1.54 -0.08 0.00 0.33 0.00 0.00 56.93 58.94 1ugj s PHE 67 Cb -0.15 -2.91 -0.13 0.00 -1.31 0.00 0.00 43.02 38.52 1ugj s PHE 67 CO 0.10 0.18 -0.30 -2.13 1.83 0.00 0.00 175.22 174.91 1ugj n ARG 68 N 3.14 0.56 -3.51 10.12 3.00 0.39 -4.84 116.66 125.52 1ugj n ARG 68 Ca 0.00 0.21 -0.09 0.00 -0.00 0.00 0.00 57.85 57.97 1ugj n ARG 68 Cb 0.50 -1.44 -0.02 0.00 0.00 0.00 0.00 32.46 31.51 1ugj n ARG 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ugj s ALA 69 N -2.48 -1.71 0.18 5.13 0.00 -0.94 -4.49 121.76 117.46 1ugj s ALA 69 Ca -0.35 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.34 1ugj s ALA 69 Cb 0.12 0.61 -0.04 0.00 0.00 0.00 0.00 23.12 23.81 1ugj s ALA 69 CO 0.49 -0.75 0.36 -1.17 0.00 0.00 0.00 175.76 174.68 1ugj s LEU 70 N -2.62 4.26 0.25 0.00 2.96 -1.11 0.22 118.68 122.64 1ugj s LEU 70 Ca 0.04 0.34 -0.10 0.00 -0.22 0.00 0.00 54.13 54.20 1ugj s LEU 70 Cb -0.01 -3.10 -0.01 0.00 0.50 0.00 0.00 46.19 43.57 1ugj s LEU 70 CO -0.09 -0.01 0.42 -0.31 -1.32 0.00 0.00 176.35 175.04 1ugj s TYR 71 N -1.82 0.56 -0.04 5.38 1.51 -0.33 -2.83 117.35 119.77 1ugj s TYR 71 Ca 0.37 -0.89 0.02 0.00 -1.01 0.00 0.00 57.07 55.56 1ugj s TYR 71 Cb -0.11 0.04 0.02 0.00 -0.11 0.00 0.00 41.96 41.79 1ugj s TYR 71 CO 0.29 -0.95 -0.07 0.95 -1.11 0.00 0.00 175.55 174.66 1ugj s THR 72 N -3.95 0.68 0.10 -0.71 -4.23 -0.29 -0.66 115.64 106.58 1ugj s THR 72 Ca 0.26 -0.24 -0.30 0.00 -1.18 0.00 0.00 61.69 60.23 1ugj s THR 72 Cb 0.01 -0.66 -0.06 0.00 1.34 0.00 0.00 72.50 73.13 1ugj s THR 72 CO 0.11 0.24 1.06 -0.22 -0.54 0.00 0.00 174.62 175.27 1ugj s LEU 73 N 0.66 4.44 -0.51 4.79 2.96 -1.18 0.73 118.68 130.58 1ugj s LEU 73 Ca -0.10 1.91 -0.29 0.00 -0.22 0.00 0.00 54.13 55.44 1ugj s LEU 73 Cb -0.13 -3.59 0.02 0.00 0.50 0.00 0.00 46.19 42.99 1ugj s LEU 73 CO 0.01 -0.24 1.27 -0.44 -1.32 0.00 0.00 176.35 175.63 1ugj s SER 74 N 0.39 6.41 0.59 3.68 0.01 0.31 -4.63 113.70 120.46 1ugj s SER 74 Ca 0.51 0.42 0.32 0.00 1.31 0.00 0.00 55.95 58.50 1ugj s SER 74 Cb -0.26 -2.55 1.87 0.00 0.21 0.00 0.00 66.02 65.29 1ugj s SER 74 CO 0.31 -1.45 2.25 1.23 0.41 0.00 0.00 173.24 175.99 1ugj h GLY 75 N 12.02 0.00 1.91 3.44 0.00 -1.93 -0.24 103.07 118.27 1ugj h GLY 75 Ca -0.25 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.98 1ugj h GLY 75 CO 1.14 0.00 -0.44 1.05 0.00 0.00 0.00 176.54 178.29 1ugj h GLU 76 N 0.00 0.10 0.00 4.80 9.09 -1.94 -3.46 114.58 123.17 1ugj h GLU 76 Ca -0.00 -0.05 0.00 0.00 0.05 0.00 0.00 59.36 59.36 1ugj h GLU 76 Cb 0.05 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.15 1ugj h GLU 76 CO 0.00 0.53 0.00 0.25 0.05 0.00 0.00 179.01 179.84 1ugj n THR 77 N -4.00 0.00 0.18 -1.06 -2.24 -0.10 -5.05 114.28 102.01 1ugj n THR 77 Ca -0.02 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.78 1ugj n THR 77 Cb 0.48 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.71 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 2.48 -1.80 -0.78 1.02 -1.25 -4.63 120.64 115.69 1ugj n GLU 78 Ca 0.00 -0.40 -0.31 0.00 -0.02 0.00 0.00 57.16 56.43 1ugj n GLU 78 Cb 0.00 -0.90 0.03 0.00 -0.02 0.00 0.00 31.44 30.55 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 -0.84 3.32 0.09 3.49 8.01 -1.26 -4.58 118.70 126.93 1ugj s GLU 79 Ca 0.03 0.76 0.01 0.00 0.01 0.00 0.00 54.97 55.78 1ugj s GLU 79 Cb 0.03 -2.05 0.01 0.00 -4.31 0.00 0.00 34.13 27.82 1ugj s GLU 79 CO 0.10 -0.78 0.08 1.28 0.01 0.00 0.00 175.26 175.96 1ugj n LEU 80 N -2.89 0.00 -3.75 1.80 4.77 -0.08 0.12 117.00 116.96 1ugj n LEU 80 Ca 0.06 -0.43 -0.12 0.00 -0.03 0.00 0.00 56.01 55.49 1ugj n LEU 80 Cb 0.54 -0.03 -0.12 0.00 -2.33 0.00 0.00 43.42 41.49 1ugj n LEU 80 CO 0.57 -0.38 -0.06 -0.55 -1.33 0.00 0.00 177.39 175.64 1ugj s SER 81 N -1.53 -0.31 -0.58 -1.43 0.15 0.22 -3.87 113.70 106.36 1ugj s SER 81 Ca 0.06 0.59 -0.27 0.00 0.70 0.00 0.00 55.95 57.03 1ugj s SER 81 Cb -0.01 0.55 -0.01 0.00 -1.71 0.00 0.00 66.02 64.85 1ugj s SER 81 CO 0.04 -0.13 1.70 -0.60 1.20 0.00 0.00 173.24 175.45 1ugj s ARG 82 N 0.59 2.92 -0.04 5.44 3.52 0.15 -1.14 118.95 130.39 1ugj s ARG 82 Ca -0.04 0.59 -0.09 0.00 -0.13 0.00 0.00 55.73 56.07 1ugj s ARG 82 Cb -0.05 -4.29 -0.05 0.00 -1.56 0.00 0.00 34.95 29.00 1ugj s ARG 82 CO -0.03 -2.39 0.44 1.25 -0.81 0.00 0.00 175.30 173.76 1ugj h LEU 83 N 15.02 -0.28 -8.10 -0.88 5.85 -1.84 -3.49 115.31 121.59 1ugj h LEU 83 Ca -0.27 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.40 1ugj h LEU 83 Cb 1.14 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 1ugj h LEU 83 CO 1.19 0.07 0.18 0.00 -0.34 0.00 0.00 178.44 179.55 1ugj s ALA 84 N -3.47 -0.52 0.00 1.25 0.00 -1.18 -5.04 121.76 112.79 1ugj s ALA 84 Ca -0.05 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1ugj s ALA 84 Cb 0.00 0.78 0.00 0.00 0.00 0.00 0.00 23.12 23.91 1ugj s ALA 84 CO 0.14 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.36 1ugj n GLY 85 N -0.53 0.98 0.00 0.00 0.00 -1.26 -2.75 105.19 101.63 1ugj n GLY 85 Ca -0.06 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1ugj n GLY 85 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ugj n TYR 86 N 0.00 0.00 -0.80 1.61 9.36 -1.26 -5.05 117.16 121.02 1ugj n TYR 86 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1ugj n TYR 86 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1ugj n TYR 86 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1ugj n GLY 87 N 0.00 -0.54 3.68 2.98 0.00 -1.26 -4.73 105.19 105.32 1ugj n GLY 87 Ca 0.00 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.63 4.31 0.31 1.61 0.04 -1.26 -4.89 135.00 133.48 1ugj s PRO 88 Ca 0.00 1.69 0.12 0.00 0.04 0.00 0.00 61.00 62.86 1ugj s PRO 88 Cb 0.00 -3.63 1.01 0.00 0.04 0.00 0.00 34.50 31.92 1ugj s PRO 88 CO 0.00 -0.54 1.39 -2.13 0.04 0.00 0.00 177.00 175.76 1ugj n ARG 89 N 5.67 -0.06 -4.25 4.56 0.63 -1.26 -4.43 116.66 117.52 1ugj n ARG 89 Ca 0.12 1.26 -0.14 0.00 -0.92 0.00 0.00 57.85 58.17 1ugj n ARG 89 Cb 0.46 -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 -5.53 0.33 0.01 5.15 2.01 -1.26 0.33 115.64 116.68 1ugj s THR 90 Ca -0.09 -1.99 0.01 0.00 0.31 0.00 0.00 61.69 59.93 1ugj s THR 90 Cb 0.29 -2.46 -0.01 0.00 0.01 0.00 0.00 72.50 70.32 1ugj s THR 90 CO 0.69 -0.11 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.79 1ugj s VAL 91 N -3.92 0.19 0.32 3.82 1.01 -1.25 -4.94 120.40 115.62 1ugj s VAL 91 Ca 0.35 -0.45 0.10 0.00 0.00 0.00 0.00 61.98 61.98 1ugj s VAL 91 Cb 0.07 -0.23 -0.06 0.00 0.00 0.00 0.00 36.38 36.17 1ugj s VAL 91 CO 0.11 -0.17 -0.12 0.42 0.00 0.00 0.00 175.10 175.33 1ugj s THR 92 N -0.63 2.40 -1.43 3.92 -4.23 -1.26 -0.90 115.64 113.50 1ugj s THR 92 Ca -0.06 -2.25 0.23 0.00 -1.18 0.00 0.00 61.69 58.43 1ugj s THR 92 Cb -0.05 -2.54 0.40 0.00 1.34 0.00 0.00 72.50 71.65 1ugj s THR 92 CO -0.00 -0.28 1.74 -0.81 -0.54 0.00 0.00 174.62 174.73 1ugj n PRO 93 N -0.75 0.32 0.08 3.99 -0.04 -1.26 -2.09 135.00 135.25 1ugj n PRO 93 Ca -0.05 0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.60 1ugj n PRO 93 Cb 0.62 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.71 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 0.58 0.00 0.55 0.00 -1.94 -3.33 119.26 118.19 1ugj h ALA 94 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1ugj h ALA 94 Cb 0.21 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 -1.93 -1.33 0.00 0.00 0.00 179.25 175.99 1ugj n MET 95 N -2.28 0.86 -1.85 0.00 2.81 -0.89 -4.97 117.12 110.81 1ugj n MET 95 Ca 0.03 -0.10 -0.41 0.00 -1.81 0.00 0.00 57.70 55.40 1ugj n MET 95 Cb 0.47 -1.42 -0.02 0.00 -0.71 0.00 0.00 33.22 31.54 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 -2.88 2.25 -0.27 2.03 0.11 -0.92 0.94 120.40 121.67 1ugj s VAL 96 Ca -0.07 0.21 -0.15 0.00 -2.93 0.00 0.00 61.98 59.03 1ugj s VAL 96 Cb 0.09 -3.13 -0.13 0.00 -1.53 0.00 0.00 36.38 31.67 1ugj s VAL 96 CO 0.71 0.04 -0.25 1.21 -3.33 0.00 0.00 175.10 173.47 1ugj n GLU 97 N 2.08 0.59 -3.92 1.54 4.07 -0.09 -4.74 120.64 120.17 1ugj n GLU 97 Ca 0.07 0.32 -0.09 0.00 -0.06 0.00 0.00 57.16 57.40 1ugj n GLU 97 Cb 0.38 -1.54 -0.07 0.00 -0.06 0.00 0.00 31.44 30.15 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 -5.38 0.30 0.09 8.31 0.00 -1.16 -4.99 107.32 104.49 1ugj s GLY 98 Ca -0.37 -0.79 0.05 0.00 0.00 0.00 0.00 44.72 43.62 1ugj s GLY 98 CO 0.51 -0.87 -0.14 -0.26 0.00 0.00 0.00 173.10 172.34 1ugj s ILE 99 N -3.91 1.19 -0.01 0.90 -4.36 -1.26 -1.86 121.20 111.89 1ugj s ILE 99 Ca 0.11 -1.50 -0.11 0.00 -0.26 0.00 0.00 60.65 58.88 1ugj s ILE 99 Cb 0.05 -1.29 0.01 0.00 1.25 0.00 0.00 42.46 42.48 1ugj s ILE 99 CO -0.06 -0.33 0.23 -0.31 0.24 0.00 0.00 174.94 174.70 1ugj s TYR 100 N -1.73 -0.09 0.57 1.37 1.51 0.25 -0.48 117.35 118.76 1ugj s TYR 100 Ca 0.03 0.12 0.09 0.00 -1.01 0.00 0.00 57.07 56.31 1ugj s TYR 100 Cb -0.07 0.03 0.09 0.00 -0.11 0.00 0.00 41.96 41.89 1ugj s TYR 100 CO 0.02 -0.32 0.79 -1.59 -1.11 0.00 0.00 175.55 173.35 1ugj s LYS 101 N -1.21 2.31 -0.21 -0.62 -2.85 0.51 0.77 119.74 118.44 1ugj s LYS 101 Ca -0.13 -1.62 0.01 0.00 -1.00 0.00 0.00 55.97 53.23 1ugj s LYS 101 Cb -0.06 -2.64 0.04 0.00 -2.06 0.00 0.00 37.83 33.11 1ugj s LYS 101 CO 0.03 -0.86 -0.13 -0.47 0.10 0.00 0.00 175.35 174.02 1ugj s TYR 102 N -2.67 2.68 -0.72 1.78 6.14 -1.26 -2.21 117.35 121.09 1ugj s TYR 102 Ca 0.62 -1.76 -0.26 0.00 0.64 0.00 0.00 57.07 56.31 1ugj s TYR 102 Cb -0.06 -1.77 0.01 0.00 0.42 0.00 0.00 41.96 40.56 1ugj s TYR 102 CO 0.39 -0.79 1.53 -0.80 0.64 0.00 0.00 175.55 176.52 1ugj s ASN 103 N 1.31 5.82 0.00 4.32 0.01 0.22 -4.79 114.94 121.83 1ugj s ASN 103 Ca -0.01 -0.24 0.18 0.00 -0.71 0.00 0.00 52.86 52.08 1ugj s ASN 103 Cb -0.16 -2.55 0.95 0.00 0.41 0.00 0.00 41.25 39.90 1ugj s ASN 103 CO -0.09 -2.05 1.63 -0.24 -1.51 0.00 0.00 177.10 174.84 1ugj n SER 104 N 10.77 0.48 -0.03 -1.22 2.88 -1.26 0.28 113.62 125.52 1ugj n SER 104 Ca 0.13 -1.53 -0.04 0.00 -1.33 0.00 0.00 58.87 56.10 1ugj n SER 104 Cb 0.50 -0.03 -0.03 0.00 -0.75 0.00 0.00 64.21 63.90 1ugj n SER 104 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1ugj n ASP 105 N -0.45 3.59 0.00 -3.46 9.92 -1.26 -4.64 116.55 120.25 1ugj n ASP 105 Ca 0.14 -0.03 0.11 0.00 -0.53 0.00 0.00 54.79 54.48 1ugj n ASP 105 Cb 0.14 0.08 -0.03 0.00 -0.64 0.00 0.00 41.12 40.67 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 -2.55 0.10 -3.45 -1.24 1.74 -1.22 -4.97 116.66 105.06 1ugj n ARG 106 Ca -0.10 -0.02 -0.20 0.00 -0.77 0.00 0.00 57.85 56.76 1ugj n ARG 106 Cb 0.63 -1.52 0.07 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 -1.63 -6.96 -3.69 5.56 5.02 0.14 -4.99 118.16 111.61 1ugj n LYS 107 Ca 0.03 0.75 -0.15 0.00 -2.02 0.00 0.00 58.31 56.92 1ugj n LYS 107 Cb 0.37 -5.55 -0.06 0.00 -0.02 0.00 0.00 35.03 29.77 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 -4.42 0.35 -5.24 1.97 5.12 -1.01 -4.97 116.66 108.47 1ugj n ARG 108 Ca -0.05 -2.51 -0.30 0.00 -1.93 0.00 0.00 57.85 53.06 1ugj n ARG 108 Cb 0.57 1.97 -0.16 0.00 -1.16 0.00 0.00 32.46 33.68 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 -2.98 2.28 0.15 -1.55 0.08 -1.26 0.71 117.98 115.41 1ugj s PHE 109 Ca 0.28 -0.52 0.07 0.00 0.12 0.00 0.00 56.93 56.88 1ugj s PHE 109 Cb 0.01 -1.48 -0.04 0.00 -0.57 0.00 0.00 43.02 40.95 1ugj s PHE 109 CO 0.20 -0.10 -0.16 0.99 -0.10 0.00 0.00 175.22 176.04 1ugj s THR 110 N -0.42 1.64 0.29 0.64 2.01 -0.94 -4.95 115.64 113.91 1ugj s THR 110 Ca 0.05 -1.87 -0.03 0.00 0.31 0.00 0.00 61.69 60.14 1ugj s THR 110 Cb -0.11 -1.75 -0.05 0.00 0.01 0.00 0.00 72.50 70.60 1ugj s THR 110 CO 0.01 -0.38 0.53 -1.58 -0.69 0.00 0.00 174.62 172.51 1ugj s GLN 111 N -2.83 3.59 -0.08 4.92 0.74 -1.26 0.19 119.66 124.93 1ugj s GLN 111 Ca 0.14 -0.09 -0.06 0.00 0.05 0.00 0.00 55.36 55.40 1ugj s GLN 111 Cb -0.05 -2.67 -0.04 0.00 1.10 0.00 0.00 33.01 31.35 1ugj s GLN 111 CO 0.05 0.22 0.16 0.42 -0.55 0.00 0.00 175.29 175.60 1ugj s ILE 112 N -2.10 5.47 -1.44 -2.34 -1.09 0.37 -4.73 121.20 115.33 1ugj s ILE 112 Ca 0.43 0.12 0.23 0.00 -2.23 0.00 0.00 60.65 59.19 1ugj s ILE 112 Cb -0.11 -3.45 0.40 0.00 -1.58 0.00 0.00 42.46 37.72 1ugj s ILE 112 CO 0.31 0.53 1.74 -0.81 -1.23 0.00 0.00 174.94 175.48 1ugj n PRO 113 N 1.65 0.33 -4.17 2.79 -0.04 -1.26 -4.71 135.00 129.60 1ugj n PRO 113 Ca -0.17 0.07 -0.27 0.00 -0.04 0.00 0.00 63.50 63.10 1ugj n PRO 113 Cb 0.54 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.43 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 -2.56 3.31 -1.68 0.55 0.00 -1.26 -5.01 121.76 115.11 1ugj s ALA 114 Ca 0.22 -1.32 0.17 0.00 0.00 0.00 0.00 51.96 51.03 1ugj s ALA 114 Cb 0.15 -1.11 0.36 0.00 0.00 0.00 0.00 23.12 22.52 1ugj s ALA 114 CO 0.34 0.49 1.28 1.63 0.00 0.00 0.00 175.76 179.50 1ugj n LYS 115 N -0.18 2.33 -3.80 0.00 4.01 -1.26 -4.51 118.16 114.74 1ugj n LYS 115 Ca -0.09 -2.07 -0.21 0.00 -0.51 0.00 0.00 58.31 55.42 1ugj n LYS 115 Cb 0.55 -1.39 -0.04 0.00 -0.51 0.00 0.00 35.03 33.64 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 -1.15 3.32 0.52 -0.18 2.01 -1.26 -4.93 115.64 113.96 1ugj s THR 116 Ca 0.31 -1.40 -0.20 0.00 0.31 0.00 0.00 61.69 60.70 1ugj s THR 116 Cb 0.17 -3.13 -0.07 0.00 0.01 0.00 0.00 72.50 69.49 1ugj s THR 116 CO 0.23 -0.14 1.11 -0.04 -0.69 0.00 0.00 174.62 175.10 1ugj s MET 117 N -4.00 3.52 -0.10 4.92 -1.94 -1.26 -4.99 119.30 115.45 1ugj s MET 117 Ca 0.42 1.58 -0.30 0.00 -1.71 0.00 0.00 55.69 55.68 1ugj s MET 117 Cb -0.05 -2.09 0.11 0.00 2.01 0.00 0.00 34.83 34.81 1ugj s MET 117 CO 0.26 -0.70 0.93 -1.12 -0.01 0.00 0.00 175.02 174.38 1ugj s SER 118 N -1.75 -0.40 0.10 3.03 0.01 -1.26 -4.93 113.70 108.50 1ugj s SER 118 Ca 0.70 0.30 0.10 0.00 1.31 0.00 0.00 55.95 58.36 1ugj s SER 118 Cb -0.23 0.35 0.47 0.00 0.21 0.00 0.00 66.02 66.83 1ugj s SER 118 CO 0.27 -0.46 1.30 0.80 0.41 0.00 0.00 173.24 175.56 1ugj n MET 119 N 0.43 0.05 -0.68 12.44 0.00 -1.26 -1.26 117.12 126.83 1ugj n MET 119 Ca -0.11 0.48 -0.07 0.00 -0.00 0.00 0.00 57.70 58.00 1ugj n MET 119 Cb 0.59 -1.64 0.17 0.00 0.00 0.00 0.00 33.22 32.35 1ugj n MET 119 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1ugj n SER 120 N -1.74 3.68 -4.29 6.12 7.64 -1.26 -4.85 113.62 118.93 1ugj n SER 120 Ca 0.01 -2.83 -0.29 0.00 1.01 0.00 0.00 58.87 56.77 1ugj n SER 120 Cb 0.06 -0.67 -0.15 0.00 -1.01 0.00 0.00 64.21 62.44 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 -2.08 1.92 0.00 0.44 1.01 -0.39 -4.24 120.40 117.07 1ugj s VAL 121 Ca 0.35 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 61.20 1ugj s VAL 121 Cb 0.28 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 35.05 1ugj s VAL 121 CO 0.08 0.46 0.81 0.47 0.00 0.00 0.00 175.10 176.92 1ugj n ASP 122 N 2.25 0.00 -3.63 3.32 9.92 0.23 -4.88 116.55 123.76 1ugj n ASP 122 Ca -0.16 -1.64 -0.06 0.00 -0.53 0.00 0.00 54.79 52.40 1ugj n ASP 122 Cb 0.52 -0.13 -0.06 0.00 -0.64 0.00 0.00 41.12 40.81 1ugj n ASP 122 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ugj s ALA 123 N 0.00 -2.07 -0.06 2.24 0.00 0.19 -3.85 121.76 118.21 1ugj s ALA 123 Ca 0.00 1.76 -0.23 0.00 0.00 0.00 0.00 51.96 53.49 1ugj s ALA 123 Cb 0.00 -1.40 0.05 0.00 0.00 0.00 0.00 23.12 21.76 1ugj s ALA 123 CO 0.00 -0.21 0.51 -0.59 0.00 0.00 0.00 175.76 175.47 1ugj s PHE 124 N -0.38 -0.45 -0.23 0.00 -0.71 -1.17 0.86 117.98 115.88 1ugj s PHE 124 Ca 0.05 0.82 0.01 0.00 -1.04 0.00 0.00 56.93 56.76 1ugj s PHE 124 Cb -0.03 0.25 0.06 0.00 -1.21 0.00 0.00 43.02 42.09 1ugj s PHE 124 CO -0.08 -0.48 -0.05 0.95 -1.34 0.00 0.00 175.22 174.22 1ugj s THR 125 N -1.05 1.55 1.10 -4.49 -4.23 -0.78 -3.62 115.64 104.12 1ugj s THR 125 Ca -0.11 -1.23 -0.12 0.00 -1.18 0.00 0.00 61.69 59.05 1ugj s THR 125 Cb -0.03 -1.81 0.25 0.00 1.34 0.00 0.00 72.50 72.26 1ugj s THR 125 CO 0.06 -0.10 1.05 0.27 -0.54 0.00 0.00 174.62 175.37 1ugj s ILE 126 N 1.39 2.06 1.20 2.99 -4.36 -1.26 -0.91 121.20 122.31 1ugj s ILE 126 Ca -0.06 0.02 -0.17 0.00 -0.26 0.00 0.00 60.65 60.18 1ugj s ILE 126 Cb -0.19 -2.20 0.24 0.00 1.25 0.00 0.00 42.46 41.56 1ugj s ILE 126 CO -0.06 -0.03 0.56 0.00 0.24 0.00 0.00 174.94 175.65 1ugj n GLN 127 N -4.68 -2.67 -0.08 0.37 1.13 0.27 -4.49 117.38 107.23 1ugj n GLN 127 Ca 0.04 -0.77 -0.13 0.00 -1.94 0.00 0.00 57.00 54.20 1ugj n GLN 127 Cb 0.55 -1.88 -0.07 0.00 0.11 0.00 0.00 30.24 28.96 1ugj n GLN 127 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1ugj h GLY 128 N -2.69 0.00 -1.50 1.08 0.00 -1.93 -3.36 103.07 94.67 1ugj h GLY 128 Ca -0.52 0.00 0.49 0.00 0.00 0.00 0.00 47.33 47.30 1ugj h GLY 128 CO 0.38 0.00 1.00 -2.39 0.00 0.00 0.00 176.54 175.53 1ugj n HIS 129 N -4.54 0.52 -0.04 5.60 1.44 -1.26 -0.36 115.22 116.57 1ugj n HIS 129 Ca -0.18 0.52 -0.03 0.00 -2.01 0.00 0.00 57.72 56.02 1ugj n HIS 129 Cb 0.45 -0.97 -0.02 0.00 0.12 0.00 0.00 29.99 29.56 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 -0.46 0.02 2.39 4.07 -1.96 -2.55 115.31 116.83 1ugj h LEU 130 Ca 0.88 0.06 0.01 0.00 0.08 0.00 0.00 57.88 58.91 1ugj h LEU 130 Cb 3.02 0.19 -0.02 0.00 1.08 0.00 0.00 40.66 44.93 1ugj h LEU 130 CO -0.35 -0.09 -0.22 -0.50 -1.08 0.00 0.00 178.44 176.20 1ugj h TRP 131 N -0.08 -0.65 -1.97 1.13 4.06 -0.92 -3.42 115.95 114.10 1ugj h TRP 131 Ca 0.02 0.02 -0.54 0.00 2.06 0.00 0.00 58.89 60.45 1ugj h TRP 131 Cb 0.14 0.28 0.24 0.00 -1.00 0.00 0.00 29.16 28.82 1ugj h TRP 131 CO -0.68 -0.24 -1.90 1.04 -3.56 0.00 0.00 178.44 173.09 1ugj n GLN 132 N -3.72 -0.01 -3.86 0.49 1.13 -0.96 -4.92 117.38 105.53 1ugj n GLN 132 Ca -0.03 -0.00 -0.35 0.00 -1.94 0.00 0.00 57.00 54.67 1ugj n GLN 132 Cb 0.17 -1.03 -0.08 0.00 0.11 0.00 0.00 30.24 29.41 1ugj n GLN 132 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1ugj s SER 133 N -1.03 6.03 0.23 1.08 0.01 -1.26 -4.85 113.70 113.90 1ugj s SER 133 Ca 0.40 0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.88 1ugj s SER 133 Cb -0.16 -2.02 0.00 0.00 0.21 0.00 0.00 66.02 64.05 1ugj s SER 133 CO 0.81 0.22 0.00 1.17 0.41 0.00 0.00 173.24 175.86 1ugj n LYS 134 N 3.21 0.00 -3.83 12.44 4.81 -1.26 -5.14 118.16 128.39 1ugj n LYS 134 Ca -0.17 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.23 1ugj n LYS 134 Cb 0.53 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.58 1ugj n LYS 134 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1ugj s LYS 135 N -1.52 1.41 0.04 1.64 2.47 -1.26 -5.18 119.74 117.34 1ugj s LYS 135 Ca 0.00 -0.87 0.01 0.00 -1.56 0.00 0.00 55.97 53.55 1ugj s LYS 135 Cb 0.00 0.42 -0.03 0.00 -1.46 0.00 0.00 37.83 36.77 1ugj s LYS 135 CO 0.00 -0.66 -0.06 -1.54 0.16 0.00 0.00 175.35 173.25 1ugj s SER 136 N -3.20 0.70 0.00 1.43 1.04 -1.26 -5.03 113.70 107.39 1ugj s SER 136 Ca 0.18 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 56.01 1ugj s SER 136 Cb -0.03 0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.16 1ugj s SER 136 CO 0.05 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.61 1ugj n GLY 137 N 1.31 -1.37 3.80 7.32 0.00 -1.26 -5.17 105.19 109.82 1ugj n GLY 137 Ca -0.22 0.97 -0.30 0.00 0.00 0.00 0.00 46.02 46.47 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 1.99 0.45 1.61 0.04 -1.26 -4.85 135.00 132.99 1ugj s PRO 138 Ca 0.00 0.60 0.00 0.00 0.04 0.00 0.00 61.00 61.64 1ugj s PRO 138 Cb 0.00 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1ugj s PRO 138 CO 0.00 -1.68 0.00 0.43 0.04 0.00 0.00 177.00 175.79 1ugj n SER 139 N -3.46 -8.83 -3.12 6.66 7.64 -1.26 -5.06 113.62 106.18 1ugj n SER 139 Ca 0.07 1.26 0.06 0.00 1.01 0.00 0.00 58.87 61.27 1ugj n SER 139 Cb 0.57 -4.78 0.00 0.00 -1.01 0.00 0.00 64.21 58.98 1ugj n SER 139 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ugj s SER 140 N -2.77 -0.14 0.00 6.43 0.15 -1.26 -5.22 113.70 110.89 1ugj s SER 140 Ca 0.00 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.66 1ugj s SER 140 Cb 0.00 1.03 0.00 0.00 -1.71 0.00 0.00 66.02 65.34 1ugj s SER 140 CO 0.00 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.02