#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 6.30 -0.22 1.61 0.01 -1.26 -4.95 113.70 115.20 1ugj s SER 2 Ca 0.00 0.62 -0.05 0.00 1.31 0.00 0.00 55.95 57.83 1ugj s SER 2 Cb 0.00 -2.54 0.11 0.00 0.21 0.00 0.00 66.02 63.80 1ugj s SER 2 CO 0.00 -1.50 0.40 -0.44 0.41 0.00 0.00 173.24 172.11 1ugj s SER 3 N 3.92 -0.05 -0.03 2.44 0.01 -1.26 -5.06 113.70 113.68 1ugj s SER 3 Ca 0.57 0.65 -0.02 0.00 1.31 0.00 0.00 55.95 58.45 1ugj s SER 3 Cb -0.12 1.25 0.01 0.00 0.21 0.00 0.00 66.02 67.37 1ugj s SER 3 CO 0.30 -0.26 0.05 0.61 0.41 0.00 0.00 173.24 174.35 1ugj n GLY 4 N 5.38 -4.34 2.55 3.44 0.00 -1.26 -5.05 105.19 105.92 1ugj n GLY 4 Ca -0.06 0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.33 3.05 0.09 1.61 0.15 -1.26 -5.01 113.70 112.00 1ugj s SER 5 Ca -0.05 -1.50 -0.25 0.00 0.70 0.00 0.00 55.95 54.84 1ugj s SER 5 Cb 0.00 -0.22 -0.14 0.00 -1.71 0.00 0.00 66.02 63.95 1ugj s SER 5 CO 0.15 -0.39 1.71 -1.28 1.20 0.00 0.00 173.24 174.63 1ugj h SER 6 N 7.92 -0.23 -4.28 5.45 0.87 -2.08 -3.49 113.55 117.71 1ugj h SER 6 Ca -0.10 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1ugj h SER 6 Cb 1.01 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1ugj h SER 6 CO 0.36 -0.15 0.00 0.61 -0.53 0.00 0.00 176.83 177.12 1ugj n GLY 7 N -1.21 -1.35 3.68 5.77 0.00 -1.26 -4.91 105.19 105.92 1ugj n GLY 7 Ca -0.08 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 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 -3.75 4.34 -1.33 1.61 0.04 -1.26 -4.93 135.00 129.71 1ugj s PRO 8 Ca 0.00 1.69 -0.16 0.00 0.04 0.00 0.00 61.00 62.57 1ugj s PRO 8 Cb 0.00 -3.58 0.02 0.00 0.04 0.00 0.00 34.50 30.98 1ugj s PRO 8 CO 0.00 -0.48 2.08 0.54 0.04 0.00 0.00 177.00 179.18 1ugj n ARG 9 N 5.34 2.71 -1.58 4.56 5.12 -1.26 -4.94 116.66 126.62 1ugj n ARG 9 Ca 0.11 -2.65 -0.54 0.00 -1.93 0.00 0.00 57.85 52.85 1ugj n ARG 9 Cb 0.46 -3.31 -0.07 0.00 -1.16 0.00 0.00 32.46 28.39 1ugj n ARG 9 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1ugj n LEU 10 N 7.06 1.29 -3.74 0.55 0.00 -1.26 -4.91 117.00 115.99 1ugj n LEU 10 Ca 0.51 1.13 -0.02 0.00 0.00 0.00 0.00 56.01 57.63 1ugj n LEU 10 Cb 0.41 -1.12 -0.01 0.00 0.00 0.00 0.00 43.42 42.70 1ugj n LEU 10 CO 0.88 -1.21 0.84 -0.47 0.00 0.00 0.00 177.39 177.43 1ugj s TYR 11 N 0.54 -0.07 0.48 1.96 5.04 -1.26 -5.15 117.35 118.88 1ugj s TYR 11 Ca 0.87 -0.18 0.00 0.00 -2.44 0.00 0.00 57.07 55.32 1ugj s TYR 11 Cb -1.04 0.62 0.00 0.00 0.35 0.00 0.00 41.96 41.89 1ugj s TYR 11 CO 0.50 -0.66 0.00 1.63 -1.34 0.00 0.00 175.55 175.68 1ugj n LYS 12 N -0.52 -3.43 -3.99 4.97 5.02 -1.26 -4.43 118.16 114.52 1ugj n LYS 12 Ca -0.06 2.66 -0.09 0.00 -2.02 0.00 0.00 58.31 58.80 1ugj n LYS 12 Cb 0.61 -3.29 -0.10 0.00 -0.02 0.00 0.00 35.03 32.22 1ugj n LYS 12 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1ugj s GLU 13 N -5.08 0.48 0.95 1.97 2.02 -1.26 -4.65 118.70 113.13 1ugj s GLU 13 Ca 0.00 -0.81 -0.16 0.00 0.02 0.00 0.00 54.97 54.02 1ugj s GLU 13 Cb 0.00 0.18 0.23 0.00 0.10 0.00 0.00 34.13 34.64 1ugj s GLU 13 CO 0.00 -0.10 1.05 -0.35 0.02 0.00 0.00 175.26 175.88 1ugj n PRO 14 N 0.94 -1.97 -3.51 0.39 -0.04 -1.26 -4.99 135.00 124.56 1ugj n PRO 14 Ca -0.20 -1.65 -0.38 0.00 -0.04 0.00 0.00 63.50 61.23 1ugj n PRO 14 Cb 0.58 -1.30 -0.04 0.00 -0.04 0.00 0.00 33.50 32.70 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 -4.17 4.68 -0.23 3.54 2.88 -1.26 -5.03 113.62 114.03 1ugj n SER 15 Ca 0.14 -3.14 0.00 0.00 -1.33 0.00 0.00 58.87 54.53 1ugj n SER 15 Cb 0.50 -1.13 0.00 0.00 -0.75 0.00 0.00 64.21 62.83 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 2.26 0.00 -2.48 -1.46 0.00 -1.26 -4.95 120.51 112.62 1ugj n ALA 16 Ca 0.23 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.59 1ugj n ALA 16 Cb 0.37 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.86 1ugj n ALA 16 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ugj n LYS 17 N -0.46 -1.26 -3.49 0.00 4.81 -1.26 -5.01 118.16 111.49 1ugj n LYS 17 Ca 0.00 0.49 -0.38 0.00 -0.87 0.00 0.00 58.31 57.55 1ugj n LYS 17 Cb 0.00 -3.94 -0.06 0.00 0.02 0.00 0.00 35.03 31.05 1ugj n LYS 17 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1ugj s SER 18 N -3.22 6.67 -0.26 3.14 0.01 -1.26 -4.94 113.70 113.85 1ugj s SER 18 Ca 0.26 0.79 0.13 0.00 1.31 0.00 0.00 55.95 58.44 1ugj s SER 18 Cb -0.03 -2.23 0.63 0.00 0.21 0.00 0.00 66.02 64.60 1ugj s SER 18 CO 0.42 0.20 1.60 -0.46 0.41 0.00 0.00 173.24 175.41 1ugj n ASN 19 N 2.68 4.18 -0.09 2.44 6.94 -0.94 -4.52 115.26 125.94 1ugj n ASN 19 Ca -0.12 -3.21 -0.11 0.00 -0.02 0.00 0.00 54.58 51.11 1ugj n ASN 19 Cb 0.52 -0.65 -0.04 0.00 -2.36 0.00 0.00 39.78 37.26 1ugj n ASN 19 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 1ugj h LYS 20 N 2.19 0.48 0.00 -3.83 3.64 -1.92 -0.63 116.57 116.49 1ugj h LYS 20 Ca 0.14 -0.15 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 1ugj h LYS 20 Cb 1.86 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.64 1ugj h LYS 20 CO 0.47 0.64 -0.18 0.74 -2.27 0.00 0.00 179.45 178.85 1ugj h PHE 21 N 0.27 0.00 -0.03 1.91 -1.00 -1.92 0.19 116.94 116.36 1ugj h PHE 21 Ca 0.08 0.00 -0.22 0.00 2.81 0.00 0.00 57.97 60.64 1ugj h PHE 21 Cb 0.42 0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.00 1ugj h PHE 21 CO 0.04 0.18 -0.83 0.82 -1.61 0.00 0.00 178.31 176.90 1ugj h ILE 22 N 0.00 1.33 -0.11 -0.55 2.04 -1.75 -3.09 117.51 115.37 1ugj h ILE 22 Ca -0.00 -2.13 -0.17 0.00 1.00 0.00 0.00 64.86 63.57 1ugj h ILE 22 Cb 0.47 2.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.93 1ugj h ILE 22 CO 0.02 0.65 -0.64 0.40 0.00 0.00 0.00 178.15 178.58 1ugj h ILE 23 N 0.23 1.36 -0.84 -0.67 1.08 -0.70 -1.63 117.51 116.35 1ugj h ILE 23 Ca -0.10 -1.98 0.14 0.00 -0.39 0.00 0.00 64.86 62.54 1ugj h ILE 23 Cb 1.50 1.96 -0.06 0.00 -3.07 0.00 0.00 36.82 37.15 1ugj h ILE 23 CO 0.16 0.60 0.55 -0.74 -0.69 0.00 0.00 178.15 178.03 1ugj h HIS 24 N 0.31 0.72 0.00 1.37 2.76 -0.64 0.20 115.15 119.87 1ugj h HIS 24 Ca -0.01 0.02 -0.24 0.00 -2.20 0.00 0.00 60.37 57.94 1ugj h HIS 24 Cb 1.19 -0.23 -0.04 0.00 1.55 0.00 0.00 27.41 29.88 1ugj h HIS 24 CO 0.04 0.28 -1.28 -0.91 -1.30 0.00 0.00 177.93 174.76 1ugj h ASN 25 N 0.62 0.00 -0.92 3.26 2.35 -1.43 -3.13 115.58 116.33 1ugj h ASN 25 Ca 0.41 -0.00 0.03 0.00 -0.55 0.00 0.00 56.30 56.20 1ugj h ASN 25 Cb 0.72 -0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.03 1ugj h ASN 25 CO -0.17 1.00 0.60 0.00 -1.65 0.00 0.00 177.43 177.21 1ugj h ALA 26 N 1.00 1.21 0.02 -0.83 0.00 0.30 1.48 119.26 122.44 1ugj h ALA 26 Ca -0.12 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1ugj h ALA 26 Cb 1.87 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1ugj h ALA 26 CO 0.11 0.47 -0.01 -0.07 0.00 0.00 0.00 179.25 179.75 1ugj h LEU 27 N 1.16 -0.02 0.00 0.00 3.38 -1.09 -2.32 115.31 116.42 1ugj h LEU 27 Ca 0.36 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1ugj h LEU 27 Cb -0.00 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1ugj h LEU 27 CO -0.12 0.37 0.00 -1.20 0.09 0.00 0.00 178.44 177.59 1ugj n SER 28 N -4.91 0.00 -0.06 -0.43 7.64 -0.93 0.27 113.62 115.20 1ugj n SER 28 Ca -0.08 -0.56 -0.18 0.00 1.01 0.00 0.00 58.87 59.06 1ugj n SER 28 Cb 0.21 -0.07 -0.13 0.00 -1.01 0.00 0.00 64.21 63.21 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 0.26 -3.44 115.15 117.37 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 0.06 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.52 1ugj h HIS 29 CO 0.00 1.24 0.00 0.00 0.86 0.00 0.00 177.93 180.03 1ugj n LEU 32 N -5.51 1.76 -4.87 0.00 4.77 0.26 -3.82 117.00 109.59 1ugj n LEU 32 Ca 0.14 -3.30 -0.33 0.00 -0.03 0.00 0.00 56.01 52.48 1ugj n LEU 32 Cb 0.45 0.41 -0.05 0.00 -2.33 0.00 0.00 43.42 41.90 1ugj n LEU 32 CO -0.12 1.23 -0.18 0.00 -1.33 0.00 0.00 177.39 176.98 1ugj s ALA 33 N -3.64 3.86 0.00 -1.18 0.00 0.14 -4.47 121.76 116.48 1ugj s ALA 33 Ca 0.29 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.44 1ugj s ALA 33 Cb 0.36 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.69 1ugj s ALA 33 CO -0.02 0.75 0.00 0.41 0.00 0.00 0.00 175.76 176.90 1ugj n GLY 34 N 0.88 0.46 0.13 0.00 0.00 -1.26 -4.75 105.19 100.65 1ugj n GLY 34 Ca -0.10 -2.22 -0.25 0.00 0.00 0.00 0.00 46.02 43.44 1ugj n GLY 34 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ugj n LYS 35 N 0.00 0.60 -0.31 1.61 -0.00 -1.26 -3.90 118.16 114.90 1ugj n LYS 35 Ca 0.00 0.37 0.14 0.00 -0.00 0.00 0.00 58.31 58.82 1ugj n LYS 35 Cb 0.00 -1.62 0.29 0.00 -0.00 0.00 0.00 35.03 33.70 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 -0.79 0.15 -1.25 0.58 -1.51 -1.99 1.55 116.25 112.99 1ugj h VAL 36 Ca -0.53 -0.03 -0.70 0.00 -1.23 0.00 0.00 66.70 64.21 1ugj h VAL 36 Cb 1.57 0.07 -0.29 0.00 -2.13 0.00 0.00 31.29 30.51 1ugj h VAL 36 CO -0.26 0.01 0.91 0.59 -1.23 0.00 0.00 177.57 177.59 1ugj n ASN 37 N -5.38 7.64 0.12 4.19 3.02 -1.26 -4.48 115.26 119.11 1ugj n ASN 37 Ca 0.22 -3.80 -0.23 0.00 -0.03 0.00 0.00 54.58 50.73 1ugj n ASN 37 Cb 0.72 -1.00 -0.15 0.00 -0.61 0.00 0.00 39.78 38.75 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 2.25 0.51 0.14 3.52 4.81 0.21 -2.56 114.58 123.45 1ugj h GLU 38 Ca 0.60 -0.82 -0.01 0.00 -0.13 0.00 0.00 59.36 59.00 1ugj h GLU 38 Cb 0.62 0.30 0.00 0.00 0.63 0.00 0.00 28.75 30.30 1ugj h GLU 38 CO 1.55 1.39 -0.07 -1.00 -0.73 0.00 0.00 179.01 180.15 1ugj h PRO 39 N 0.05 -0.18 0.00 0.92 0.13 -1.78 -3.18 132.00 127.97 1ugj h PRO 39 Ca -0.22 0.01 0.03 0.00 -0.87 0.00 0.00 66.00 64.95 1ugj h PRO 39 Cb 2.00 0.04 -0.04 0.00 0.13 0.00 0.00 31.00 33.13 1ugj h PRO 39 CO 0.24 0.23 -0.25 0.37 -0.23 0.00 0.00 178.00 178.36 1ugj h GLN 40 N -0.93 -0.38 -0.97 0.86 4.15 -1.87 -0.95 115.11 115.02 1ugj h GLN 40 Ca -0.02 0.03 0.09 0.00 0.77 0.00 0.00 58.65 59.52 1ugj h GLN 40 Cb 0.49 0.09 -0.12 0.00 0.21 0.00 0.00 27.48 28.15 1ugj h GLN 40 CO 0.03 -0.25 -0.56 1.17 -1.93 0.00 0.00 178.83 177.28 1ugj n LYS 41 N -5.37 -0.42 -0.08 1.69 4.81 -0.97 0.63 118.16 118.46 1ugj n LYS 41 Ca -0.05 1.47 -0.07 0.00 -0.87 0.00 0.00 58.31 58.79 1ugj n LYS 41 Cb 0.29 -2.16 -0.00 0.00 0.02 0.00 0.00 35.03 33.17 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 -0.44 -0.94 3.14 2.35 -1.42 0.25 115.58 118.51 1ugj h ASN 42 Ca 0.17 0.11 0.23 0.00 -0.55 0.00 0.00 56.30 56.26 1ugj h ASN 42 Cb 0.41 0.25 -0.06 0.00 0.05 0.00 0.00 38.32 38.96 1ugj h ASN 42 CO -0.92 -0.16 0.63 0.03 -1.65 0.00 0.00 177.43 175.36 1ugj h ARG 43 N -0.08 0.29 0.38 0.81 2.47 0.16 0.40 114.38 118.81 1ugj h ARG 43 Ca 0.15 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.84 1ugj h ARG 43 Cb 0.31 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.57 1ugj h ARG 43 CO -0.35 0.19 -0.18 0.82 0.56 0.00 0.00 179.97 181.01 1ugj h ILE 44 N 0.30 0.00 -0.86 2.04 1.08 0.31 0.19 117.51 120.57 1ugj h ILE 44 Ca 0.49 -0.55 0.21 0.00 -0.39 0.00 0.00 64.86 64.63 1ugj h ILE 44 Cb 1.40 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 35.02 1ugj h ILE 44 CO -0.16 0.00 0.29 -0.07 -0.69 0.00 0.00 178.15 177.52 1ugj h LEU 45 N -1.06 0.14 0.20 1.44 -0.00 -0.03 1.21 115.31 117.21 1ugj h LEU 45 Ca -0.05 0.17 -0.01 0.00 -0.00 0.00 0.00 57.88 57.99 1ugj h LEU 45 Cb 0.39 0.20 0.00 0.00 -0.00 0.00 0.00 40.66 41.25 1ugj h LEU 45 CO 0.09 -0.07 -0.10 -0.33 -0.00 0.00 0.00 178.44 178.03 1ugj h GLU 46 N 0.30 -0.26 -0.54 1.13 4.39 -0.27 0.36 114.58 119.70 1ugj h GLU 46 Ca 0.53 0.02 0.03 0.00 0.34 0.00 0.00 59.36 60.28 1ugj h GLU 46 Cb 1.02 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.69 1ugj h GLU 46 CO -0.58 -0.03 0.31 0.93 -1.16 0.00 0.00 179.01 178.48 1ugj h GLU 47 N -0.44 0.59 -0.49 2.33 4.39 0.13 0.96 114.58 122.04 1ugj h GLU 47 Ca -0.03 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.67 1ugj h GLU 47 Cb 0.34 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 1ugj h GLU 47 CO 0.04 0.39 0.27 0.82 -1.16 0.00 0.00 179.01 179.38 1ugj h ILE 48 N 0.61 1.01 -0.20 3.13 2.04 0.15 1.53 117.51 125.79 1ugj h ILE 48 Ca 0.22 -0.19 -0.13 0.00 1.00 0.00 0.00 64.86 65.76 1ugj h ILE 48 Cb 0.06 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 1ugj h ILE 48 CO -0.11 0.10 -0.43 -0.33 0.00 0.00 0.00 178.15 177.38 1ugj h GLU 49 N 0.54 0.47 0.00 2.37 4.39 -0.15 -2.39 114.58 119.82 1ugj h GLU 49 Ca 0.21 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1ugj h GLU 49 Cb 0.07 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1ugj h GLU 49 CO -0.12 0.82 0.00 1.57 -1.16 0.00 0.00 179.01 180.12 1ugj h LYS 50 N 0.39 0.00 -6.82 2.33 2.10 0.19 -3.44 116.57 111.31 1ugj h LYS 50 Ca 0.03 0.00 -0.49 0.00 -2.00 0.00 0.00 60.65 58.19 1ugj h LYS 50 Cb 0.91 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.24 1ugj h LYS 50 CO 0.08 0.00 0.38 0.45 -2.00 0.00 0.00 179.45 178.36 1ugj s SER 51 N -5.58 7.39 -0.20 7.07 0.15 0.52 -4.93 113.70 118.12 1ugj s SER 51 Ca 0.07 2.01 0.06 0.00 0.70 0.00 0.00 55.95 58.78 1ugj s SER 51 Cb 0.08 -2.60 0.45 0.00 -1.71 0.00 0.00 66.02 62.23 1ugj s SER 51 CO 0.61 -0.04 1.38 1.17 1.20 0.00 0.00 173.24 177.56 1ugj n LYS 52 N 1.03 2.62 -4.43 5.44 4.81 -1.26 -4.86 118.16 121.51 1ugj n LYS 52 Ca -0.00 -1.83 -0.32 0.00 -0.87 0.00 0.00 58.31 55.29 1ugj n LYS 52 Cb 0.48 -1.84 -0.10 0.00 0.02 0.00 0.00 35.03 33.58 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 -2.00 3.00 -0.68 3.14 0.00 -1.26 -5.00 121.76 118.96 1ugj s ALA 53 Ca 0.33 -1.06 0.11 0.00 0.00 0.00 0.00 51.96 51.34 1ugj s ALA 53 Cb 0.26 -1.08 -0.08 0.00 0.00 0.00 0.00 23.12 22.22 1ugj s ALA 53 CO 0.08 0.62 0.53 0.27 0.00 0.00 0.00 175.76 177.26 1ugj n ASN 54 N 1.40 0.76 -4.16 0.00 6.94 -1.26 -4.87 115.26 114.07 1ugj n ASN 54 Ca -0.15 -0.88 -0.35 0.00 -0.02 0.00 0.00 54.58 53.18 1ugj n ASN 54 Cb 0.52 0.83 -0.13 0.00 -2.36 0.00 0.00 39.78 38.65 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 -1.85 3.36 0.46 -2.53 2.46 -1.26 -2.22 115.29 113.71 1ugj s HIS 55 Ca 0.06 -2.04 0.07 0.00 0.47 0.00 0.00 55.06 53.62 1ugj s HIS 55 Cb 0.08 -2.40 -0.01 0.00 -0.13 0.00 0.00 32.58 30.13 1ugj s HIS 55 CO 0.39 -0.85 0.34 -0.06 -2.47 0.00 0.00 174.74 172.10 1ugj s PHE 56 N 1.21 2.31 -0.25 3.88 0.08 -1.26 0.10 117.98 124.06 1ugj s PHE 56 Ca -0.01 -0.64 -0.23 0.00 0.12 0.00 0.00 56.93 56.18 1ugj s PHE 56 Cb -0.20 -2.03 0.06 0.00 -0.57 0.00 0.00 43.02 40.28 1ugj s PHE 56 CO -0.02 -0.17 0.65 -0.51 -0.10 0.00 0.00 175.22 175.07 1ugj s LEU 57 N -4.13 -0.50 -0.10 -0.37 1.02 -0.56 -4.72 118.68 109.31 1ugj s LEU 57 Ca 0.42 1.32 -0.11 0.00 0.02 0.00 0.00 54.13 55.77 1ugj s LEU 57 Cb -0.01 2.24 -0.05 0.00 0.02 0.00 0.00 46.19 48.39 1ugj s LEU 57 CO 0.24 -0.23 0.26 -0.63 0.02 0.00 0.00 176.35 176.01 1ugj s ILE 58 N 0.36 5.31 -0.19 -0.59 1.09 -1.26 -1.28 121.20 124.64 1ugj s ILE 58 Ca -0.00 0.48 -0.15 0.00 -1.10 0.00 0.00 60.65 59.88 1ugj s ILE 58 Cb -0.05 -3.56 -0.04 0.00 -1.06 0.00 0.00 42.46 37.75 1ugj s ILE 58 CO 0.01 0.53 0.37 -0.22 -0.10 0.00 0.00 174.94 175.53 1ugj s LEU 59 N -0.51 4.17 0.49 2.97 2.96 0.24 -2.68 118.68 126.31 1ugj s LEU 59 Ca 0.17 0.50 0.05 0.00 -0.22 0.00 0.00 54.13 54.63 1ugj s LEU 59 Cb -0.14 -2.48 -0.01 0.00 0.50 0.00 0.00 46.19 44.07 1ugj s LEU 59 CO 0.06 -0.04 0.21 -0.36 -1.32 0.00 0.00 176.35 174.90 1ugj s PHE 60 N 1.13 2.03 -0.00 5.38 0.40 -1.24 0.20 117.98 125.87 1ugj s PHE 60 Ca 0.18 -0.79 0.11 0.00 -0.60 0.00 0.00 56.93 55.83 1ugj s PHE 60 Cb -0.14 -1.84 -0.16 0.00 0.51 0.00 0.00 43.02 41.39 1ugj s PHE 60 CO 0.07 -0.04 1.08 -0.09 0.70 0.00 0.00 175.22 176.95 1ugj h ARG 61 N 1.16 0.00 0.00 0.44 9.65 -1.95 -3.45 114.38 120.24 1ugj h ARG 61 Ca -0.41 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.47 1ugj h ARG 61 Cb 1.29 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.87 1ugj h ARG 61 CO 0.67 0.68 -0.01 -0.25 2.80 0.00 0.00 179.97 183.86 1ugj n ASP 62 N -3.19 -0.08 0.00 -3.80 9.92 -1.26 -5.03 116.55 113.12 1ugj n ASP 62 Ca -0.05 0.40 0.00 0.00 -0.53 0.00 0.00 54.79 54.61 1ugj n ASP 62 Cb 0.92 0.31 0.00 0.00 -0.64 0.00 0.00 41.12 41.71 1ugj n ASP 62 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1ugj n SER 63 N -3.34 0.00 -2.71 -2.24 3.41 -1.26 -4.74 113.62 102.74 1ugj n SER 63 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.28 1ugj n SER 63 Cb 0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 1ugj n SER 63 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1ugj n SER 64 N 0.00 6.97 0.00 4.04 2.88 -1.26 -4.67 113.62 121.59 1ugj n SER 64 Ca 0.00 -3.49 0.00 0.00 -1.33 0.00 0.00 58.87 54.05 1ugj n SER 64 Cb 0.00 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.30 1ugj n SER 64 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ugj s GLN 66 N 0.44 1.39 0.15 0.00 -0.21 -1.26 -5.03 119.66 115.14 1ugj s GLN 66 Ca 0.00 -1.74 -0.26 0.00 0.02 0.00 0.00 55.36 53.38 1ugj s GLN 66 Cb 0.00 0.30 -0.07 0.00 1.00 0.00 0.00 33.01 34.23 1ugj s GLN 66 CO 0.00 -0.48 0.81 0.12 -2.12 0.00 0.00 175.29 173.62 1ugj s PHE 67 N -3.92 3.88 -0.05 0.91 2.19 -1.25 -4.06 117.98 115.67 1ugj s PHE 67 Ca 0.39 1.65 0.01 0.00 0.33 0.00 0.00 56.93 59.31 1ugj s PHE 67 Cb 0.05 -2.83 -0.04 0.00 -1.31 0.00 0.00 43.02 38.90 1ugj s PHE 67 CO 0.17 0.44 -0.03 0.54 1.83 0.00 0.00 175.22 178.16 1ugj n ARG 68 N 1.92 0.86 -3.57 10.12 5.12 0.52 -4.96 116.66 126.67 1ugj n ARG 68 Ca -0.04 0.02 -0.08 0.00 -1.93 0.00 0.00 57.85 55.83 1ugj n ARG 68 Cb 0.49 -1.11 -0.04 0.00 -1.16 0.00 0.00 32.46 30.64 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 -2.11 -1.96 -0.12 7.54 0.00 -1.22 -4.44 121.76 119.45 1ugj s ALA 69 Ca -0.06 1.52 -0.06 0.00 0.00 0.00 0.00 51.96 53.35 1ugj s ALA 69 Cb 0.02 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 1ugj s ALA 69 CO 0.14 -0.42 0.11 -1.17 0.00 0.00 0.00 175.76 174.42 1ugj s LEU 70 N -1.55 4.21 0.26 0.00 1.98 -0.93 -0.60 118.68 122.05 1ugj s LEU 70 Ca 0.03 0.39 0.01 0.00 -2.89 0.00 0.00 54.13 51.67 1ugj s LEU 70 Cb -0.01 -2.02 -0.05 0.00 0.66 0.00 0.00 46.19 44.78 1ugj s LEU 70 CO -0.03 0.39 0.10 -0.31 -1.89 0.00 0.00 176.35 174.62 1ugj s TYR 71 N -0.91 1.54 -0.01 5.38 1.51 -0.40 -2.21 117.35 122.24 1ugj s TYR 71 Ca 0.14 -1.21 0.06 0.00 -1.01 0.00 0.00 57.07 55.05 1ugj s TYR 71 Cb -0.12 -0.89 -0.02 0.00 -0.11 0.00 0.00 41.96 40.83 1ugj s TYR 71 CO 0.03 -0.36 -0.20 0.95 -1.11 0.00 0.00 175.55 174.86 1ugj s THR 72 N -3.74 1.57 -0.05 -0.71 -4.23 0.30 -1.50 115.64 107.27 1ugj s THR 72 Ca 0.37 -0.86 -0.20 0.00 -1.18 0.00 0.00 61.69 59.82 1ugj s THR 72 Cb 0.07 -1.31 -0.05 0.00 1.34 0.00 0.00 72.50 72.56 1ugj s THR 72 CO 0.14 0.43 0.56 -0.22 -0.54 0.00 0.00 174.62 174.99 1ugj s LEU 73 N -0.50 4.36 -0.40 4.79 2.96 0.29 0.15 118.68 130.33 1ugj s LEU 73 Ca 0.08 1.03 -0.29 0.00 -0.22 0.00 0.00 54.13 54.73 1ugj s LEU 73 Cb -0.08 -2.85 0.02 0.00 0.50 0.00 0.00 46.19 43.79 1ugj s LEU 73 CO -0.01 0.05 1.15 -0.44 -1.32 0.00 0.00 176.35 175.78 1ugj s SER 74 N 0.18 6.73 0.41 3.68 0.01 0.25 -4.61 113.70 120.36 1ugj s SER 74 Ca 0.30 0.78 0.12 0.00 1.31 0.00 0.00 55.95 58.46 1ugj s SER 74 Cb -0.17 -2.55 0.86 0.00 0.21 0.00 0.00 66.02 64.38 1ugj s SER 74 CO 0.15 -1.11 1.93 1.23 0.41 0.00 0.00 173.24 175.85 1ugj h GLY 75 N 10.83 0.10 1.96 3.44 0.00 -1.89 -1.86 103.07 115.66 1ugj h GLY 75 Ca -0.23 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 1ugj h GLY 75 CO 1.08 0.06 -0.19 1.05 0.00 0.00 0.00 176.54 178.54 1ugj h GLU 76 N 0.09 0.05 0.00 4.80 9.09 -1.82 -3.46 114.58 123.32 1ugj h GLU 76 Ca 0.02 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.42 1ugj h GLU 76 Cb 0.41 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.50 1ugj h GLU 76 CO 0.03 0.24 0.00 0.25 0.05 0.00 0.00 179.01 179.58 1ugj n THR 77 N -4.29 0.00 -0.04 -1.06 -2.24 -0.70 -5.06 114.28 100.90 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 0.27 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 1ugj n THR 77 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ugj n GLU 78 N 0.00 1.03 -1.84 -0.78 1.02 -1.24 -4.66 120.64 114.17 1ugj n GLU 78 Ca 0.00 -0.35 -0.31 0.00 -0.02 0.00 0.00 57.16 56.48 1ugj n GLU 78 Cb 0.00 -0.84 0.02 0.00 -0.02 0.00 0.00 31.44 30.60 1ugj n GLU 78 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1ugj s GLU 79 N -0.25 3.45 0.11 3.49 8.01 -1.26 -4.52 118.70 127.73 1ugj s GLU 79 Ca 0.00 0.74 0.01 0.00 0.01 0.00 0.00 54.97 55.73 1ugj s GLU 79 Cb 0.00 -2.06 0.01 0.00 -4.31 0.00 0.00 34.13 27.77 1ugj s GLU 79 CO 0.00 -0.67 0.10 1.28 0.01 0.00 0.00 175.26 175.98 1ugj n LEU 80 N -2.81 0.00 -3.71 1.80 4.77 0.71 0.88 117.00 118.63 1ugj n LEU 80 Ca 0.06 -0.54 -0.12 0.00 -0.03 0.00 0.00 56.01 55.39 1ugj n LEU 80 Cb 0.54 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 1ugj n LEU 80 CO 0.58 -0.38 0.07 -0.55 -1.33 0.00 0.00 177.39 175.77 1ugj s SER 81 N -1.65 -0.47 -0.45 -1.43 0.15 0.39 -3.80 113.70 106.43 1ugj s SER 81 Ca 0.08 0.86 -0.27 0.00 0.70 0.00 0.00 55.95 57.31 1ugj s SER 81 Cb -0.01 0.80 -0.03 0.00 -1.71 0.00 0.00 66.02 65.08 1ugj s SER 81 CO 0.05 -0.17 1.90 -0.60 1.20 0.00 0.00 173.24 175.62 1ugj s ARG 82 N 0.85 2.92 -0.07 5.44 3.52 0.18 -0.54 118.95 131.25 1ugj s ARG 82 Ca -0.05 1.12 -0.04 0.00 -0.13 0.00 0.00 55.73 56.63 1ugj s ARG 82 Cb -0.06 -4.32 -0.02 0.00 -1.56 0.00 0.00 34.95 28.99 1ugj s ARG 82 CO -0.07 -2.36 0.19 1.25 -0.81 0.00 0.00 175.30 173.51 1ugj h LEU 83 N 15.42 -0.13 -7.49 -0.88 5.85 -1.81 -3.48 115.31 122.80 1ugj h LEU 83 Ca -0.30 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.46 1ugj h LEU 83 Cb 1.18 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 42.16 1ugj h LEU 83 CO 1.12 0.28 0.23 0.00 -0.34 0.00 0.00 178.44 179.73 1ugj s ALA 84 N -2.99 -1.42 0.00 1.25 0.00 -0.94 -5.04 121.76 112.61 1ugj s ALA 84 Ca -0.02 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.05 1ugj s ALA 84 Cb 0.00 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.98 1ugj s ALA 84 CO 0.07 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.33 1ugj n GLY 85 N -0.42 1.31 0.00 0.00 0.00 -1.26 -2.19 105.19 102.63 1ugj n GLY 85 Ca -0.10 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.86 1.61 4.19 -1.26 -5.06 117.16 114.77 1ugj n TYR 86 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1ugj n TYR 86 Cb 0.00 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.83 1ugj n TYR 86 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1ugj n GLY 87 N 0.00 -0.63 3.70 2.98 0.00 -1.26 -4.81 105.19 105.18 1ugj n GLY 87 Ca 0.00 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 1ugj n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ugj s PRO 88 N -0.46 4.40 0.22 1.61 0.04 -1.26 -4.92 135.00 134.64 1ugj s PRO 88 Ca 0.00 1.71 -0.10 0.00 0.04 0.00 0.00 61.00 62.64 1ugj s PRO 88 Cb 0.00 -3.45 0.31 0.00 0.04 0.00 0.00 34.50 31.40 1ugj s PRO 88 CO 0.00 -0.33 1.32 2.89 0.04 0.00 0.00 177.00 180.92 1ugj n ARG 89 N 4.50 -0.13 -4.47 4.56 1.85 -1.26 -4.39 116.66 117.32 1ugj n ARG 89 Ca 0.10 1.32 -0.22 0.00 -1.00 0.00 0.00 57.85 58.04 1ugj n ARG 89 Cb 0.47 -1.96 -0.11 0.00 -1.05 0.00 0.00 32.46 29.81 1ugj n ARG 89 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1ugj s THR 90 N -5.95 1.35 -0.03 8.89 2.01 -1.26 0.50 115.64 121.15 1ugj s THR 90 Ca -0.12 -2.01 -0.07 0.00 0.31 0.00 0.00 61.69 59.80 1ugj s THR 90 Cb 0.20 -2.77 0.01 0.00 0.01 0.00 0.00 72.50 69.95 1ugj s THR 90 CO 0.64 -0.04 0.15 -0.69 -0.69 0.00 0.00 174.62 173.99 1ugj s VAL 91 N -3.19 0.04 0.33 3.82 1.01 -1.25 -4.94 120.40 116.23 1ugj s VAL 91 Ca 0.35 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 62.07 1ugj s VAL 91 Cb 0.08 -0.34 -0.06 0.00 0.00 0.00 0.00 36.38 36.06 1ugj s VAL 91 CO 0.15 -0.19 -0.08 0.42 0.00 0.00 0.00 175.10 175.40 1ugj s THR 92 N -0.66 2.03 -1.34 3.92 -4.23 -1.26 -0.21 115.64 113.89 1ugj s THR 92 Ca -0.07 -2.17 0.23 0.00 -1.18 0.00 0.00 61.69 58.49 1ugj s THR 92 Cb -0.04 -2.60 0.35 0.00 1.34 0.00 0.00 72.50 71.55 1ugj s THR 92 CO 0.01 -0.22 1.73 -0.81 -0.54 0.00 0.00 174.62 174.79 1ugj n PRO 93 N -0.73 0.26 0.01 3.99 -0.04 -1.26 -2.02 135.00 135.20 1ugj n PRO 93 Ca -0.05 0.08 0.12 0.00 -0.04 0.00 0.00 63.50 63.61 1ugj n PRO 93 Cb 0.64 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.84 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 -1.33 3.42 -0.03 0.55 0.00 -1.26 -3.86 120.51 118.00 1ugj n ALA 94 Ca 0.10 -0.33 0.01 0.00 0.00 0.00 0.00 53.44 53.22 1ugj n ALA 94 Cb 0.20 -1.13 -0.11 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.60 1.02 -2.12 0.00 2.81 -0.86 -4.96 117.12 111.41 1ugj n MET 95 Ca 0.05 -0.08 -0.42 0.00 -1.81 0.00 0.00 57.70 55.44 1ugj n MET 95 Cb 0.35 -1.35 -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 -2.72 3.26 -0.13 2.03 0.11 -1.00 0.58 120.40 122.53 1ugj s VAL 96 Ca -0.06 0.85 -0.29 0.00 -2.93 0.00 0.00 61.98 59.55 1ugj s VAL 96 Cb 0.07 -3.54 -0.26 0.00 -1.53 0.00 0.00 36.38 31.12 1ugj s VAL 96 CO 0.59 0.04 0.80 -0.08 -3.33 0.00 0.00 175.10 173.12 1ugj h GLU 97 N 7.18 0.01 -2.99 1.54 4.81 0.18 -3.45 114.58 121.87 1ugj h GLU 97 Ca -0.41 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 58.68 1ugj h GLU 97 Cb 1.20 0.01 -0.20 0.00 0.63 0.00 0.00 28.75 30.39 1ugj h GLU 97 CO 0.89 0.99 -0.26 0.20 -0.73 0.00 0.00 179.01 180.10 1ugj s GLY 98 N -4.18 -0.17 0.21 1.92 0.00 -1.23 -5.03 107.32 98.83 1ugj s GLY 98 Ca -0.19 0.40 0.09 0.00 0.00 0.00 0.00 44.72 45.02 1ugj s GLY 98 CO 0.70 0.19 -0.04 -0.26 0.00 0.00 0.00 173.10 173.68 1ugj s ILE 99 N -1.25 3.40 0.01 0.90 -4.36 -1.26 -2.45 121.20 116.19 1ugj s ILE 99 Ca -0.13 -1.68 -0.12 0.00 -0.26 0.00 0.00 60.65 58.46 1ugj s ILE 99 Cb -0.05 -2.73 0.01 0.00 1.25 0.00 0.00 42.46 40.94 1ugj s ILE 99 CO 0.04 -0.19 0.25 -0.31 0.24 0.00 0.00 174.94 174.97 1ugj s TYR 100 N -1.91 -0.08 0.57 1.37 1.51 0.10 -1.84 117.35 117.07 1ugj s TYR 100 Ca 0.28 0.03 0.08 0.00 -1.01 0.00 0.00 57.07 56.45 1ugj s TYR 100 Cb -0.08 0.04 0.07 0.00 -0.11 0.00 0.00 41.96 41.89 1ugj s TYR 100 CO 0.17 -0.40 0.67 -1.59 -1.11 0.00 0.00 175.55 173.29 1ugj s LYS 101 N -1.80 2.29 -0.24 -0.62 -2.85 0.27 0.14 119.74 116.93 1ugj s LYS 101 Ca -0.11 -1.77 0.02 0.00 -1.00 0.00 0.00 55.97 53.11 1ugj s LYS 101 Cb -0.04 -2.47 0.06 0.00 -2.06 0.00 0.00 37.83 33.32 1ugj s LYS 101 CO 0.01 -0.79 -0.09 -0.47 0.10 0.00 0.00 175.35 174.11 1ugj s TYR 102 N -2.70 2.83 -0.59 1.78 6.14 -1.26 -2.17 117.35 121.37 1ugj s TYR 102 Ca 0.53 -2.00 -0.26 0.00 0.64 0.00 0.00 57.07 55.97 1ugj s TYR 102 Cb -0.05 -1.77 -0.03 0.00 0.42 0.00 0.00 41.96 40.54 1ugj s TYR 102 CO 0.33 -0.82 1.96 -0.80 0.64 0.00 0.00 175.55 176.86 1ugj s ASN 103 N 1.25 5.12 0.00 4.32 0.01 0.37 -4.77 114.94 121.24 1ugj s ASN 103 Ca -0.06 0.47 0.24 0.00 -0.71 0.00 0.00 52.86 52.79 1ugj s ASN 103 Cb -0.19 -2.52 1.42 0.00 0.41 0.00 0.00 41.25 40.37 1ugj s ASN 103 CO -0.06 -2.47 1.90 -1.20 -1.51 0.00 0.00 177.10 173.75 1ugj n SER 104 N 13.33 0.00 -0.04 -1.22 7.64 -1.26 0.74 113.62 132.80 1ugj n SER 104 Ca 0.23 -1.19 -0.06 0.00 1.01 0.00 0.00 58.87 58.86 1ugj n SER 104 Cb 0.53 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.69 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 -0.88 2.84 -0.49 6.43 -0.08 -1.26 -4.62 116.55 118.49 1ugj n ASP 105 Ca 0.18 -0.01 0.12 0.00 -1.51 0.00 0.00 54.79 53.57 1ugj n ASP 105 Cb 0.08 -0.14 0.22 0.00 2.34 0.00 0.00 41.12 43.62 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 -2.84 1.33 -3.90 -0.67 1.74 -1.21 -4.95 116.66 106.16 1ugj n ARG 106 Ca -0.13 -0.98 -0.28 0.00 -0.77 0.00 0.00 57.85 55.69 1ugj n ARG 106 Cb 0.63 -1.48 0.01 0.00 -1.02 0.00 0.00 32.46 30.61 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 0.02 -4.72 -4.00 5.56 5.02 0.23 -4.95 118.16 115.32 1ugj n LYS 107 Ca 0.12 0.55 -0.18 0.00 -2.02 0.00 0.00 58.31 56.78 1ugj n LYS 107 Cb 0.43 -5.20 -0.07 0.00 -0.02 0.00 0.00 35.03 30.17 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 -4.49 0.42 -4.99 1.97 5.12 -1.03 -4.94 116.66 108.72 1ugj n ARG 108 Ca -0.11 -2.95 -0.32 0.00 -1.93 0.00 0.00 57.85 52.54 1ugj n ARG 108 Cb 0.59 2.21 -0.15 0.00 -1.16 0.00 0.00 32.46 33.95 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 -3.12 2.64 0.24 -1.55 0.08 -1.26 0.14 117.98 115.15 1ugj s PHE 109 Ca 0.31 -0.45 0.08 0.00 0.12 0.00 0.00 56.93 56.98 1ugj s PHE 109 Cb 0.01 -1.67 -0.05 0.00 -0.57 0.00 0.00 43.02 40.75 1ugj s PHE 109 CO 0.22 -0.04 -0.12 0.99 -0.10 0.00 0.00 175.22 176.17 1ugj s THR 110 N -0.29 1.83 0.32 0.64 2.01 -0.92 -4.94 115.64 114.29 1ugj s THR 110 Ca 0.01 -2.21 -0.04 0.00 0.31 0.00 0.00 61.69 59.76 1ugj s THR 110 Cb -0.13 -2.23 -0.05 0.00 0.01 0.00 0.00 72.50 70.11 1ugj s THR 110 CO 0.03 -0.46 0.59 -1.58 -0.69 0.00 0.00 174.62 172.50 1ugj s GLN 111 N -3.65 3.61 -0.07 4.92 0.74 -1.26 0.94 119.66 124.88 1ugj s GLN 111 Ca 0.26 -0.00 -0.04 0.00 0.05 0.00 0.00 55.36 55.63 1ugj s GLN 111 Cb 0.00 -2.61 -0.04 0.00 1.10 0.00 0.00 33.01 31.47 1ugj s GLN 111 CO 0.10 0.15 0.12 0.42 -0.55 0.00 0.00 175.29 175.52 1ugj s ILE 112 N -2.20 5.17 -1.49 -2.34 -1.09 -0.77 -4.70 121.20 113.78 1ugj s ILE 112 Ca 0.44 -0.04 0.23 0.00 -2.23 0.00 0.00 60.65 59.05 1ugj s ILE 112 Cb -0.10 -3.29 0.43 0.00 -1.58 0.00 0.00 42.46 37.91 1ugj s ILE 112 CO 0.32 0.51 1.75 -0.81 -1.23 0.00 0.00 174.94 175.49 1ugj n PRO 113 N 1.66 0.37 -4.28 2.79 -0.04 -1.26 -4.73 135.00 129.51 1ugj n PRO 113 Ca -0.17 0.06 -0.26 0.00 -0.04 0.00 0.00 63.50 63.09 1ugj n PRO 113 Cb 0.54 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.41 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 3.01 -1.83 0.55 0.00 -1.26 -5.01 121.76 114.71 1ugj s ALA 114 Ca 0.23 -1.47 0.18 0.00 0.00 0.00 0.00 51.96 50.91 1ugj s ALA 114 Cb 0.15 -0.78 0.40 0.00 0.00 0.00 0.00 23.12 22.89 1ugj s ALA 114 CO 0.34 0.45 1.33 1.63 0.00 0.00 0.00 175.76 179.51 1ugj n LYS 115 N -0.07 2.41 -3.78 0.00 4.01 -1.26 -4.58 118.16 114.90 1ugj n LYS 115 Ca -0.10 -2.18 -0.23 0.00 -0.51 0.00 0.00 58.31 55.29 1ugj n LYS 115 Cb 0.56 -1.43 -0.04 0.00 -0.51 0.00 0.00 35.03 33.61 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 -1.19 2.42 0.37 -0.18 2.01 -1.26 -4.90 115.64 112.91 1ugj s THR 116 Ca 0.34 -1.47 -0.26 0.00 0.31 0.00 0.00 61.69 60.61 1ugj s THR 116 Cb 0.19 -2.89 -0.09 0.00 0.01 0.00 0.00 72.50 69.72 1ugj s THR 116 CO 0.26 0.00 1.09 -0.04 -0.69 0.00 0.00 174.62 175.23 1ugj s MET 117 N -4.08 4.27 -0.05 4.92 -1.94 -1.26 -4.98 119.30 116.18 1ugj s MET 117 Ca 0.44 1.66 -0.30 0.00 -1.71 0.00 0.00 55.69 55.78 1ugj s MET 117 Cb -0.01 -2.74 0.08 0.00 2.01 0.00 0.00 34.83 34.17 1ugj s MET 117 CO 0.25 -0.08 0.74 -1.12 -0.01 0.00 0.00 175.02 174.80 1ugj s SER 118 N -1.29 -0.58 0.45 3.03 0.01 -1.26 -5.00 113.70 109.05 1ugj s SER 118 Ca 0.54 0.56 0.25 0.00 1.31 0.00 0.00 55.95 58.61 1ugj s SER 118 Cb -0.26 0.50 1.36 0.00 0.21 0.00 0.00 66.02 67.82 1ugj s SER 118 CO 0.33 -0.60 1.74 0.24 0.41 0.00 0.00 173.24 175.36 1ugj h MET 119 N 2.77 0.00 -1.15 12.44 2.86 -1.96 0.20 114.93 130.09 1ugj h MET 119 Ca -0.26 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.05 1ugj h MET 119 Cb 1.17 0.00 -0.17 0.00 0.06 0.00 0.00 31.60 32.65 1ugj h MET 119 CO 0.37 0.00 0.42 0.43 1.06 0.00 0.00 176.91 179.19 1ugj n SER 120 N -2.47 4.56 -4.13 1.22 7.64 -1.26 -4.84 113.62 114.34 1ugj n SER 120 Ca -0.02 -3.01 -0.24 0.00 1.01 0.00 0.00 58.87 56.61 1ugj n SER 120 Cb 0.19 -0.82 -0.15 0.00 -1.01 0.00 0.00 64.21 62.42 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 -2.17 1.26 -0.01 0.44 1.01 0.06 -4.22 120.40 116.77 1ugj s VAL 121 Ca 0.34 -0.67 0.21 0.00 0.00 0.00 0.00 61.98 61.87 1ugj s VAL 121 Cb 0.28 -1.06 0.36 0.00 0.00 0.00 0.00 36.38 35.96 1ugj s VAL 121 CO 0.04 0.36 1.14 0.47 0.00 0.00 0.00 175.10 177.11 1ugj n ASP 122 N 2.81 0.67 0.00 3.32 9.92 0.38 -4.86 116.55 128.79 1ugj n ASP 122 Ca -0.15 -2.00 0.00 0.00 -0.53 0.00 0.00 54.79 52.10 1ugj n ASP 122 Cb 0.54 -0.20 0.00 0.00 -0.64 0.00 0.00 41.12 40.82 1ugj n ASP 122 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ugj n ALA 123 N 0.38 0.00 -3.30 2.24 0.00 0.08 -4.31 120.51 115.60 1ugj n ALA 123 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1ugj n ALA 123 Cb 1.06 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.47 1ugj n ALA 123 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1ugj s PHE 124 N -1.12 -0.42 -0.01 0.00 -0.71 -1.09 0.01 117.98 114.63 1ugj s PHE 124 Ca 0.00 0.41 0.01 0.00 -1.04 0.00 0.00 56.93 56.31 1ugj s PHE 124 Cb 0.00 0.37 0.01 0.00 -1.21 0.00 0.00 43.02 42.18 1ugj s PHE 124 CO 0.00 -0.68 -0.03 0.95 -1.34 0.00 0.00 175.22 174.12 1ugj s THR 125 N -2.75 0.31 0.36 -4.49 -4.23 -1.02 -3.64 115.64 100.17 1ugj s THR 125 Ca -0.04 -0.10 -0.11 0.00 -1.18 0.00 0.00 61.69 60.26 1ugj s THR 125 Cb -0.00 -0.31 -0.07 0.00 1.34 0.00 0.00 72.50 73.46 1ugj s THR 125 CO -0.04 0.12 0.72 0.27 -0.54 0.00 0.00 174.62 175.15 1ugj s ILE 126 N 0.31 4.79 1.00 2.99 -4.36 -1.26 0.19 121.20 124.85 1ugj s ILE 126 Ca -0.03 0.66 -0.19 0.00 -0.26 0.00 0.00 60.65 60.83 1ugj s ILE 126 Cb -0.06 -3.69 -0.14 0.00 1.25 0.00 0.00 42.46 39.82 1ugj s ILE 126 CO -0.01 -0.37 -0.83 0.00 0.24 0.00 0.00 174.94 173.97 1ugj n GLN 127 N -0.91 -0.06 0.13 0.37 6.02 0.20 -4.62 117.38 118.51 1ugj n GLN 127 Ca 0.02 -0.01 -0.22 0.00 -0.01 0.00 0.00 57.00 56.78 1ugj n GLN 127 Cb 0.54 -1.09 -0.15 0.00 1.02 0.00 0.00 30.24 30.56 1ugj n GLN 127 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1ugj h GLY 128 N -1.07 0.52 0.74 1.08 0.00 -1.95 -3.27 103.07 99.12 1ugj h GLY 128 Ca -0.43 -1.33 0.14 0.00 0.00 0.00 0.00 47.33 45.70 1ugj h GLY 128 CO 0.24 1.17 0.49 1.12 0.00 0.00 0.00 176.54 179.56 1ugj h HIS 129 N 0.12 0.52 0.50 5.60 2.07 -1.90 -1.16 115.15 120.90 1ugj h HIS 129 Ca -0.23 0.01 -0.02 0.00 -2.85 0.00 0.00 60.37 57.28 1ugj h HIS 129 Cb 2.11 -0.16 -0.00 0.00 2.57 0.00 0.00 27.41 31.93 1ugj h HIS 129 CO 0.11 0.21 -0.28 -0.07 -3.07 0.00 0.00 177.93 174.83 1ugj h LEU 130 N 0.45 -0.67 -0.07 6.12 3.38 -1.85 -3.11 115.31 119.56 1ugj h LEU 130 Ca 0.36 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.38 1ugj h LEU 130 Cb 0.76 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 1ugj h LEU 130 CO -0.12 -0.45 -0.23 -0.50 0.09 0.00 0.00 178.44 177.24 1ugj h TRP 131 N -0.72 -0.68 -1.71 1.13 4.06 -1.33 -3.38 115.95 113.32 1ugj h TRP 131 Ca -0.06 0.03 -0.62 0.00 2.06 0.00 0.00 58.89 60.29 1ugj h TRP 131 Cb 0.58 0.31 -0.00 0.00 -1.00 0.00 0.00 29.16 29.04 1ugj h TRP 131 CO -0.07 -0.22 1.37 1.04 -3.56 0.00 0.00 178.44 176.99 1ugj n GLN 132 N -3.76 1.76 -1.07 0.49 6.02 -0.87 -4.55 117.38 115.41 1ugj n GLN 132 Ca -0.02 0.54 0.13 0.00 -0.01 0.00 0.00 57.00 57.63 1ugj n GLN 132 Cb 0.16 -2.84 -0.07 0.00 1.02 0.00 0.00 30.24 28.51 1ugj n GLN 132 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1ugj n SER 133 N 9.76 -5.81 -4.68 1.08 7.64 -1.26 -4.84 113.62 115.51 1ugj n SER 133 Ca 0.32 1.07 -0.30 0.00 1.01 0.00 0.00 58.87 60.97 1ugj n SER 133 Cb 0.34 -3.66 0.15 0.00 -1.01 0.00 0.00 64.21 60.03 1ugj n SER 133 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1ugj s LYS 134 N -3.92 1.00 1.06 1.43 2.20 -1.26 -4.75 119.74 115.50 1ugj s LYS 134 Ca 0.00 0.98 -0.21 0.00 -0.36 0.00 0.00 55.97 56.39 1ugj s LYS 134 Cb 0.00 -1.77 0.01 0.00 -1.51 0.00 0.00 37.83 34.57 1ugj s LYS 134 CO 0.00 -2.46 -0.48 1.63 -0.36 0.00 0.00 175.35 173.67 1ugj n LYS 135 N -4.06 -1.14 -0.10 4.03 5.02 -1.26 -4.98 118.16 115.67 1ugj n LYS 135 Ca 0.07 -0.33 -0.16 0.00 -2.02 0.00 0.00 58.31 55.87 1ugj n LYS 135 Cb 0.54 -1.43 -0.05 0.00 -0.02 0.00 0.00 35.03 34.06 1ugj n LYS 135 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1ugj n SER 136 N 0.13 1.90 0.00 4.39 2.88 -1.26 -5.10 113.62 116.56 1ugj n SER 136 Ca 0.00 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 1ugj n SER 136 Cb 0.63 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 1ugj n SER 136 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ugj n GLY 137 N 1.45 2.05 3.79 0.46 0.00 -1.26 -5.15 105.19 106.53 1ugj n GLY 137 Ca -0.29 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.40 1.35 -0.20 1.61 0.04 -1.26 -5.09 135.00 131.05 1ugj s PRO 138 Ca 0.00 0.37 -0.30 0.00 0.04 0.00 0.00 61.00 61.11 1ugj s PRO 138 Cb 0.00 -1.86 0.15 0.00 0.04 0.00 0.00 34.50 32.83 1ugj s PRO 138 CO 0.00 -2.07 1.15 0.45 0.04 0.00 0.00 177.00 176.57 1ugj s SER 139 N -4.00 -0.22 -0.24 6.66 0.15 -1.26 -5.19 113.70 109.61 1ugj s SER 139 Ca 0.63 0.20 -0.37 0.00 0.70 0.00 0.00 55.95 57.11 1ugj s SER 139 Cb -0.15 0.19 0.15 0.00 -1.71 0.00 0.00 66.02 64.50 1ugj s SER 139 CO 0.53 -0.23 1.36 -0.44 1.20 0.00 0.00 173.24 175.67 1ugj s SER 140 N -1.29 -0.03 0.00 5.45 0.01 -1.26 -5.34 113.70 111.24 1ugj s SER 140 Ca 0.04 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.29 1ugj s SER 140 Cb -0.01 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.26 1ugj s SER 140 CO -0.03 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.17