#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ug1 s SER 2 N 0.00 4.69 -0.11 1.61 0.15 -1.26 -5.02 113.70 113.76 1ug1 s SER 2 Ca 0.00 1.31 -0.02 0.00 0.70 0.00 0.00 55.95 57.93 1ug1 s SER 2 Cb 0.00 -2.06 -0.01 0.00 -1.71 0.00 0.00 66.02 62.24 1ug1 s SER 2 CO 0.00 -1.84 -0.03 0.28 1.20 0.00 0.00 173.24 172.85 1ug1 h SER 3 N -1.00 0.00 -0.54 5.45 0.02 -1.98 -3.28 113.55 112.23 1ug1 h SER 3 Ca -0.46 -0.01 0.05 0.00 -0.84 0.00 0.00 61.79 60.52 1ug1 h SER 3 Cb 1.26 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.74 1ug1 h SER 3 CO 0.60 0.56 -0.32 0.61 -1.14 0.00 0.00 176.83 177.14 1ug1 n GLY 4 N 1.74 -2.54 0.31 -3.77 0.00 -1.26 0.81 105.19 100.49 1ug1 n GLY 4 Ca -0.02 0.85 0.09 0.00 0.00 0.00 0.00 46.02 46.95 1ug1 n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ug1 h SER 5 N 0.00 -0.44 0.75 1.61 0.02 -2.00 0.57 113.55 114.07 1ug1 h SER 5 Ca 0.09 0.24 -0.04 0.00 -0.84 0.00 0.00 61.79 61.24 1ug1 h SER 5 Cb 0.22 0.42 0.01 0.00 0.14 0.00 0.00 62.40 63.19 1ug1 h SER 5 CO -0.50 -0.26 -0.36 -1.28 -1.14 0.00 0.00 176.83 173.29 1ug1 h SER 6 N 0.06 -0.85 -1.66 3.07 0.87 0.35 -0.74 113.55 114.65 1ug1 h SER 6 Ca 0.49 0.02 0.50 0.00 -1.23 0.00 0.00 61.79 61.57 1ug1 h SER 6 Cb 0.93 0.22 -0.09 0.00 -0.44 0.00 0.00 62.40 63.02 1ug1 h SER 6 CO -0.80 -0.58 1.17 0.61 -0.53 0.00 0.00 176.83 176.71 1ug1 n GLY 7 N -1.38 -0.87 0.10 5.77 0.00 0.15 0.19 105.19 109.16 1ug1 n GLY 7 Ca -0.14 0.65 -0.19 0.00 0.00 0.00 0.00 46.02 46.34 1ug1 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug1 h ALA 8 N 1.04 0.10 -0.75 4.61 0.00 -0.82 -3.35 119.26 120.10 1ug1 h ALA 8 Ca 0.84 -0.85 0.09 0.00 0.00 0.00 0.00 54.91 54.99 1ug1 h ALA 8 Cb 3.22 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 21.26 1ug1 h ALA 8 CO -0.12 0.42 0.40 0.77 0.00 0.00 0.00 179.25 180.73 1ug1 h SER 9 N -0.78 0.56 -1.00 0.00 0.02 0.37 -0.36 113.55 112.36 1ug1 h SER 9 Ca -0.18 0.05 0.37 0.00 -0.84 0.00 0.00 61.79 61.19 1ug1 h SER 9 Cb 1.33 -0.05 -0.17 0.00 0.14 0.00 0.00 62.40 63.64 1ug1 h SER 9 CO -0.03 0.33 0.53 -0.07 -1.14 0.00 0.00 176.83 176.45 1ug1 h LEU 10 N 0.69 0.36 -0.49 5.07 4.07 0.11 2.23 115.31 127.35 1ug1 h LEU 10 Ca 0.36 0.23 0.06 0.00 0.08 0.00 0.00 57.88 58.62 1ug1 h LEU 10 Cb 0.33 0.23 -0.05 0.00 1.08 0.00 0.00 40.66 42.24 1ug1 h LEU 10 CO -0.24 -0.32 0.18 -0.07 -1.08 0.00 0.00 178.44 176.91 1ug1 h LEU 11 N 0.13 0.20 0.02 1.67 4.07 -1.21 1.68 115.31 121.87 1ug1 h LEU 11 Ca 0.79 0.06 -0.03 0.00 0.08 0.00 0.00 57.88 58.77 1ug1 h LEU 11 Cb 1.98 0.03 0.00 0.00 1.08 0.00 0.00 40.66 43.75 1ug1 h LEU 11 CO -0.71 0.14 -0.15 0.00 -1.08 0.00 0.00 178.44 176.64 1ug1 h ALA 12 N 1.32 -0.01 0.02 1.53 0.00 0.25 -3.36 119.26 119.01 1ug1 h ALA 12 Ca 0.23 -0.54 0.03 0.00 0.00 0.00 0.00 54.91 54.63 1ug1 h ALA 12 Cb 0.24 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1ug1 h ALA 12 CO -0.23 0.07 -0.31 0.00 0.00 0.00 0.00 179.25 178.78 1ug1 h ARG 13 N -0.89 -0.46 -6.27 0.00 3.08 0.30 -3.42 114.38 106.72 1ug1 h ARG 13 Ca -0.03 0.03 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 1ug1 h ARG 13 Cb 1.11 0.10 -0.09 0.00 0.08 0.00 0.00 29.97 31.18 1ug1 h ARG 13 CO 0.02 -0.31 -0.61 0.71 -1.07 0.00 0.00 179.97 178.71 1ug1 s TYR 14 N -6.01 3.00 0.91 3.04 2.02 0.57 -5.02 117.35 115.86 1ug1 s TYR 14 Ca -0.16 -0.07 -0.12 0.00 -0.37 0.00 0.00 57.07 56.35 1ug1 s TYR 14 Cb 0.09 -1.45 0.14 0.00 -0.40 0.00 0.00 41.96 40.34 1ug1 s TYR 14 CO 0.65 0.52 1.14 -1.25 -1.57 0.00 0.00 175.55 175.04 1ug1 s PRO 15 N -2.99 1.11 0.48 -1.71 0.04 -1.26 -4.21 135.00 126.46 1ug1 s PRO 15 Ca 0.29 0.28 0.28 0.00 0.04 0.00 0.00 61.00 61.89 1ug1 s PRO 15 Cb -0.10 -1.84 0.87 0.00 0.04 0.00 0.00 34.50 33.47 1ug1 s PRO 15 CO 0.21 -2.21 1.80 -1.00 0.04 0.00 0.00 177.00 175.83 1ug1 h PRO 16 N -1.51 0.00 -0.00 0.56 0.13 -1.93 -1.46 132.00 127.78 1ug1 h PRO 16 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1ug1 h PRO 16 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1ug1 h PRO 16 CO 0.61 0.00 -0.03 -0.85 -0.23 0.00 0.00 178.00 177.51 1ug1 n GLU 17 N -3.02 0.76 -0.04 0.86 0.28 -1.26 -3.09 120.64 115.13 1ug1 n GLU 17 Ca 0.02 -0.11 0.00 0.00 -0.16 0.00 0.00 57.16 56.91 1ug1 n GLU 17 Cb 0.41 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.78 1ug1 n GLU 17 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1ug1 n LYS 18 N -1.02 0.85 -2.96 3.44 5.02 -0.99 -5.02 118.16 117.49 1ug1 n LYS 18 Ca 0.18 -0.87 -0.43 0.00 -2.02 0.00 0.00 58.31 55.17 1ug1 n LYS 18 Cb 0.21 -0.67 -0.05 0.00 -0.02 0.00 0.00 35.03 34.50 1ug1 n LYS 18 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ug1 s LEU 19 N -0.36 4.24 0.01 -0.35 1.43 -0.59 -0.32 118.68 122.74 1ug1 s LEU 19 Ca 0.01 -0.09 0.04 0.00 -1.03 0.00 0.00 54.13 53.07 1ug1 s LEU 19 Cb 0.01 -2.98 -0.02 0.00 0.03 0.00 0.00 46.19 43.24 1ug1 s LEU 19 CO 0.00 -0.92 -0.13 -0.36 0.23 0.00 0.00 176.35 175.17 1ug1 s PHE 20 N 3.31 1.19 0.43 0.29 0.08 -0.22 -2.04 117.98 121.02 1ug1 s PHE 20 Ca 0.30 -0.28 0.08 0.00 0.12 0.00 0.00 56.93 57.15 1ug1 s PHE 20 Cb -0.12 -0.74 0.00 0.00 -0.57 0.00 0.00 43.02 41.59 1ug1 s PHE 20 CO 0.23 0.00 0.48 -1.14 -0.10 0.00 0.00 175.22 174.70 1ug1 s GLN 21 N -0.67 2.63 -0.65 0.44 0.74 0.53 -0.23 119.66 122.44 1ug1 s GLN 21 Ca 0.03 -1.44 -0.22 0.00 0.05 0.00 0.00 55.36 53.78 1ug1 s GLN 21 Cb -0.06 -2.54 0.07 0.00 1.10 0.00 0.00 33.01 31.58 1ug1 s GLN 21 CO 0.00 -0.29 0.95 0.00 -0.55 0.00 0.00 175.29 175.41 1ug1 s ALA 22 N -2.45 3.13 0.21 1.58 0.00 -0.45 -1.51 121.76 122.27 1ug1 s ALA 22 Ca 0.51 -1.85 -0.18 0.00 0.00 0.00 0.00 51.96 50.44 1ug1 s ALA 22 Cb -0.06 -3.84 0.19 0.00 0.00 0.00 0.00 23.12 19.41 1ug1 s ALA 22 CO 0.30 -2.75 1.58 0.93 0.00 0.00 0.00 175.76 175.82 1ug1 h GLU 23 N 9.55 -0.08 -4.82 0.00 4.39 -0.91 -3.36 114.58 119.34 1ug1 h GLU 23 Ca -0.29 0.01 -0.39 0.00 0.34 0.00 0.00 59.36 59.03 1ug1 h GLU 23 Cb 1.07 0.02 -0.14 0.00 -0.10 0.00 0.00 28.75 29.60 1ug1 h GLU 23 CO 1.18 -0.06 -0.55 -0.98 -1.16 0.00 0.00 179.01 177.44 1ug1 s ARG 24 N -6.01 1.55 -0.74 2.33 1.70 -1.26 -4.81 118.95 111.72 1ug1 s ARG 24 Ca -0.14 -1.88 -0.26 0.00 -0.47 0.00 0.00 55.73 52.98 1ug1 s ARG 24 Cb 0.18 0.12 -0.11 0.00 -0.57 0.00 0.00 34.95 34.58 1ug1 s ARG 24 CO 0.71 -0.50 2.32 -0.80 -1.08 0.00 0.00 175.30 175.95 1ug1 s ASN 25 N -3.32 4.23 0.13 -2.89 -0.87 -1.26 -3.86 114.94 107.09 1ug1 s ASN 25 Ca 0.38 0.18 -0.31 0.00 -1.57 0.00 0.00 52.86 51.54 1ug1 s ASN 25 Cb 0.05 -2.54 -0.07 0.00 -0.02 0.00 0.00 41.25 38.66 1ug1 s ASN 25 CO 0.19 -3.46 1.27 0.12 -2.57 0.00 0.00 177.10 172.66 1ug1 s PHE 26 N 13.39 3.35 -0.24 2.20 2.19 -0.25 -4.90 117.98 133.71 1ug1 s PHE 26 Ca 0.89 1.21 -0.01 0.00 0.33 0.00 0.00 56.93 59.36 1ug1 s PHE 26 Cb -0.13 -3.53 0.03 0.00 -1.31 0.00 0.00 43.02 38.08 1ug1 s PHE 26 CO 0.11 -1.69 -0.08 1.21 1.83 0.00 0.00 175.22 176.59 1ug1 s ASN 27 N 0.72 4.21 -0.43 6.13 3.84 -1.26 -0.77 114.94 127.38 1ug1 s ASN 27 Ca 0.59 -0.92 -0.44 0.00 0.21 0.00 0.00 52.86 52.29 1ug1 s ASN 27 Cb -0.34 -1.63 -0.18 0.00 -0.55 0.00 0.00 41.25 38.55 1ug1 s ASN 27 CO 0.33 -0.12 1.73 0.00 -2.79 0.00 0.00 177.10 176.25 1ug1 n ALA 28 N 4.63 -0.72 -0.09 1.71 0.00 -1.26 -4.80 120.51 119.98 1ug1 n ALA 28 Ca -0.17 0.41 -0.12 0.00 0.00 0.00 0.00 53.44 53.56 1ug1 n ALA 28 Cb 0.47 -2.05 -0.08 0.00 0.00 0.00 0.00 19.45 17.78 1ug1 n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ug1 n ALA 29 N 5.09 1.63 -2.65 0.00 0.00 -1.26 -4.93 120.51 118.39 1ug1 n ALA 29 Ca 0.33 -0.74 -0.10 0.00 0.00 0.00 0.00 53.44 52.93 1ug1 n ALA 29 Cb 0.01 0.10 0.04 0.00 0.00 0.00 0.00 19.45 19.60 1ug1 n ALA 29 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1ug1 n GLN 30 N -3.01 0.53 0.11 0.00 3.00 -1.26 -4.99 117.38 111.75 1ug1 n GLN 30 Ca -0.31 -1.19 0.03 0.00 -0.01 0.00 0.00 57.00 55.52 1ug1 n GLN 30 Cb 0.83 -0.20 -0.00 0.00 0.00 0.00 0.00 30.24 30.86 1ug1 n GLN 30 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 1ug1 h ASP 31 N -0.13 0.00 0.48 1.08 3.58 -1.99 -3.28 116.42 116.15 1ug1 h ASP 31 Ca -0.13 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.15 1ug1 h ASP 31 Cb 0.51 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.53 1ug1 h ASP 31 CO 0.15 0.43 -1.67 0.18 -2.88 0.00 0.00 179.24 175.46 1ug1 n LEU 32 N -3.04 0.58 -4.57 2.28 4.77 -1.26 -4.94 117.00 110.82 1ug1 n LEU 32 Ca -0.02 0.25 -0.30 0.00 -0.03 0.00 0.00 56.01 55.91 1ug1 n LEU 32 Cb 0.73 0.14 0.20 0.00 -2.33 0.00 0.00 43.42 42.16 1ug1 n LEU 32 CO 0.41 0.18 0.52 0.47 -1.33 0.00 0.00 177.39 177.64 1ug1 n ASP 33 N -2.77 -0.68 -3.71 -1.43 9.92 -1.24 -3.32 116.55 113.33 1ug1 n ASP 33 Ca -0.13 0.18 -0.11 0.00 -0.53 0.00 0.00 54.79 54.19 1ug1 n ASP 33 Cb 0.85 -1.36 -0.11 0.00 -0.64 0.00 0.00 41.12 39.86 1ug1 n ASP 33 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1ug1 s VAL 34 N -2.52 -0.02 0.60 2.53 -7.23 -1.26 -4.82 120.40 107.68 1ug1 s VAL 34 Ca 0.67 0.06 -0.20 0.00 -1.81 0.00 0.00 61.98 60.70 1ug1 s VAL 34 Cb -0.23 -0.60 -0.03 0.00 0.56 0.00 0.00 36.38 36.07 1ug1 s VAL 34 CO 0.62 0.03 1.30 -0.24 -0.31 0.00 0.00 175.10 176.50 1ug1 n SER 35 N 3.81 2.28 -3.74 4.85 2.88 -1.26 -4.39 113.62 118.05 1ug1 n SER 35 Ca -0.20 0.90 -0.12 0.00 -1.33 0.00 0.00 58.87 58.12 1ug1 n SER 35 Cb 0.56 -1.56 -0.07 0.00 -0.75 0.00 0.00 64.21 62.39 1ug1 n SER 35 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1ug1 s LEU 36 N -3.77 0.82 0.01 2.46 1.43 0.05 -4.92 118.68 114.77 1ug1 s LEU 36 Ca 0.77 -0.16 -0.15 0.00 -1.03 0.00 0.00 54.13 53.56 1ug1 s LEU 36 Cb -0.40 1.40 -0.06 0.00 0.03 0.00 0.00 46.19 47.16 1ug1 s LEU 36 CO 0.45 -0.62 0.43 -0.76 0.23 0.00 0.00 176.35 176.08 1ug1 s LEU 37 N -2.04 4.48 0.64 1.79 1.43 -1.26 -1.09 118.68 122.63 1ug1 s LEU 37 Ca -0.05 1.00 0.24 0.00 -1.03 0.00 0.00 54.13 54.28 1ug1 s LEU 37 Cb -0.01 -2.65 1.22 0.00 0.03 0.00 0.00 46.19 44.78 1ug1 s LEU 37 CO -0.03 0.31 1.68 1.05 0.23 0.00 0.00 176.35 179.60 1ug1 h GLU 38 N 4.62 0.00 0.00 1.70 4.11 -1.70 1.05 114.58 124.37 1ug1 h GLU 38 Ca -0.51 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 58.66 1ug1 h GLU 38 Cb 1.22 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.42 1ug1 h GLU 38 CO 0.62 0.00 -1.98 0.41 0.07 0.00 0.00 179.01 178.13 1ug1 n GLY 39 N -1.38 -1.04 3.68 1.06 0.00 -1.26 -4.09 105.19 102.16 1ug1 n GLY 39 Ca 0.03 -0.25 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 1ug1 n GLY 39 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ug1 n ASP 40 N -2.78 2.16 -4.52 1.61 9.92 0.36 -4.73 116.55 118.57 1ug1 n ASP 40 Ca -0.21 1.05 -0.27 0.00 -0.53 0.00 0.00 54.79 54.83 1ug1 n ASP 40 Cb 0.99 -1.47 -0.10 0.00 -0.64 0.00 0.00 41.12 39.90 1ug1 n ASP 40 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1ug1 s LEU 41 N -1.67 2.78 0.13 0.64 2.96 -1.26 -1.34 118.68 120.92 1ug1 s LEU 41 Ca 0.64 -0.66 -0.05 0.00 -0.22 0.00 0.00 54.13 53.84 1ug1 s LEU 41 Cb -0.50 -1.50 -0.02 0.00 0.50 0.00 0.00 46.19 44.66 1ug1 s LEU 41 CO 0.56 0.12 0.14 0.68 -1.32 0.00 0.00 176.35 176.53 1ug1 s VAL 42 N -1.62 0.11 -0.43 1.68 -7.23 0.68 -4.67 120.40 108.91 1ug1 s VAL 42 Ca 0.23 -1.60 0.04 0.00 -1.81 0.00 0.00 61.98 58.83 1ug1 s VAL 42 Cb -0.09 -1.80 0.12 0.00 0.56 0.00 0.00 36.38 35.17 1ug1 s VAL 42 CO 0.13 -0.51 0.16 -0.83 -0.31 0.00 0.00 175.10 173.75 1ug1 s GLY 43 N -2.97 2.16 0.18 2.32 0.00 -1.24 -1.06 107.32 106.72 1ug1 s GLY 43 Ca 0.16 -2.89 -0.31 0.00 0.00 0.00 0.00 44.72 41.68 1ug1 s GLY 43 CO -0.02 1.02 0.95 1.55 0.00 0.00 0.00 173.10 176.59 1ug1 n VAL 44 N 3.66 1.30 -0.02 1.40 3.14 0.56 -3.96 118.33 124.41 1ug1 n VAL 44 Ca 0.05 -0.33 -0.06 0.00 -2.96 0.00 0.00 64.34 61.04 1ug1 n VAL 44 Cb 0.37 -0.54 -0.02 0.00 -1.06 0.00 0.00 33.84 32.58 1ug1 n VAL 44 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 1ug1 n ILE 45 N 0.84 1.27 -4.19 1.55 5.41 0.26 -4.78 119.36 119.71 1ug1 n ILE 45 Ca 0.15 0.22 -0.35 0.00 1.00 0.00 0.00 62.75 63.77 1ug1 n ILE 45 Cb 0.24 -1.91 -0.08 0.00 -0.71 0.00 0.00 39.64 37.18 1ug1 n ILE 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1ug1 s LYS 46 N -2.40 3.13 -0.22 0.38 3.01 -0.98 -4.95 119.74 117.71 1ug1 s LYS 46 Ca -0.14 -0.33 0.15 0.00 -1.01 0.00 0.00 55.97 54.63 1ug1 s LYS 46 Cb 0.03 -2.92 0.77 0.00 -1.01 0.00 0.00 37.83 34.70 1ug1 s LYS 46 CO 0.21 0.72 1.69 1.63 0.51 0.00 0.00 175.35 180.11 1ug1 n LYS 47 N 1.98 4.52 -3.64 1.68 5.02 -1.26 -0.14 118.16 126.32 1ug1 n LYS 47 Ca -0.18 -3.10 -0.05 0.00 -2.02 0.00 0.00 58.31 52.95 1ug1 n LYS 47 Cb 0.54 -2.18 -0.07 0.00 -0.02 0.00 0.00 35.03 33.30 1ug1 n LYS 47 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1ug1 s LYS 48 N -2.72 0.24 0.67 1.97 2.20 -1.17 -4.59 119.74 116.33 1ug1 s LYS 48 Ca 0.52 0.28 -0.08 0.00 -0.36 0.00 0.00 55.97 56.33 1ug1 s LYS 48 Cb 0.40 0.11 0.03 0.00 -1.51 0.00 0.00 37.83 36.86 1ug1 s LYS 48 CO 0.15 -0.03 1.01 -0.51 -0.36 0.00 0.00 175.35 175.62 1ug1 s ASP 49 N 0.12 5.32 0.00 1.43 1.11 -1.22 -4.82 116.67 118.61 1ug1 s ASP 49 Ca 0.06 0.82 0.24 0.00 0.18 0.00 0.00 52.55 53.84 1ug1 s ASP 49 Cb -0.05 -1.65 1.39 0.00 1.07 0.00 0.00 42.92 43.68 1ug1 s ASP 49 CO -0.12 -1.32 1.79 -0.81 1.18 0.00 0.00 175.17 175.89 1ug1 n PRO 50 N -2.85 0.69 -0.08 8.23 -0.04 -1.26 -3.27 135.00 136.42 1ug1 n PRO 50 Ca 0.06 0.01 -0.15 0.00 -0.04 0.00 0.00 63.50 63.38 1ug1 n PRO 50 Cb 0.58 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.44 1ug1 n PRO 50 CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 1ug1 h MET 51 N 0.00 0.00 0.00 0.54 1.85 -2.02 -3.49 114.93 111.82 1ug1 h MET 51 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 1ug1 h MET 51 Cb 0.03 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.06 1ug1 h MET 51 CO 0.00 0.79 0.00 0.41 -0.40 0.00 0.00 176.91 177.71 1ug1 n GLY 52 N 1.55 0.32 2.39 1.39 0.00 -1.20 -5.10 105.19 104.53 1ug1 n GLY 52 Ca -0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 1ug1 n GLY 52 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ug1 n SER 53 N 0.00 0.98 0.19 1.61 7.64 -1.26 -4.93 113.62 117.85 1ug1 n SER 53 Ca 0.00 -2.79 0.17 0.00 1.01 0.00 0.00 58.87 57.26 1ug1 n SER 53 Cb 0.00 -0.63 0.70 0.00 -1.01 0.00 0.00 64.21 63.26 1ug1 n SER 53 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 1ug1 h GLN 54 N 4.72 0.00 0.00 1.43 3.07 -1.88 0.85 115.11 123.29 1ug1 h GLN 54 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.90 1ug1 h GLN 54 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.39 1ug1 h GLN 54 CO 0.53 0.00 0.01 -0.97 0.09 0.00 0.00 178.83 178.50 1ug1 h ASN 55 N 0.00 0.00 -3.32 0.06 -0.73 -1.92 -3.39 115.58 106.28 1ug1 h ASN 55 Ca 0.12 0.00 -0.65 0.00 1.87 0.00 0.00 56.30 57.64 1ug1 h ASN 55 Cb 1.12 0.00 -0.24 0.00 0.27 0.00 0.00 38.32 39.46 1ug1 h ASN 55 CO -0.00 0.00 -0.71 -0.60 -0.37 0.00 0.00 177.43 175.75 1ug1 s ARG 56 N -3.86 3.53 -0.01 6.67 3.52 0.29 -3.93 118.95 125.16 1ug1 s ARG 56 Ca -0.04 -0.60 0.05 0.00 -0.13 0.00 0.00 55.73 55.02 1ug1 s ARG 56 Cb 0.10 -2.81 -0.03 0.00 -1.56 0.00 0.00 34.95 30.65 1ug1 s ARG 56 CO 0.30 0.19 -0.16 -1.58 -0.81 0.00 0.00 175.30 173.24 1ug1 s TRP 57 N 0.47 2.63 -0.16 5.12 0.51 -0.50 -3.05 118.94 123.96 1ug1 s TRP 57 Ca -0.06 -0.21 -0.21 0.00 -2.12 0.00 0.00 56.10 53.50 1ug1 s TRP 57 Cb -0.15 -1.56 -0.03 0.00 -0.81 0.00 0.00 33.47 30.92 1ug1 s TRP 57 CO 0.04 0.20 0.61 -1.17 -0.51 0.00 0.00 176.95 176.12 1ug1 s LEU 58 N -0.99 4.20 0.26 2.99 1.98 0.80 -1.40 118.68 126.51 1ug1 s LEU 58 Ca 0.13 0.89 0.06 0.00 -2.89 0.00 0.00 54.13 52.32 1ug1 s LEU 58 Cb -0.11 -2.89 -0.06 0.00 0.66 0.00 0.00 46.19 43.80 1ug1 s LEU 58 CO 0.02 -0.20 -0.06 0.27 -1.89 0.00 0.00 176.35 174.50 1ug1 s ILE 59 N 1.48 1.58 -0.15 6.68 -5.25 0.14 0.89 121.20 126.56 1ug1 s ILE 59 Ca 0.30 -2.12 0.01 0.00 -0.99 0.00 0.00 60.65 57.84 1ug1 s ILE 59 Cb -0.16 -2.39 0.02 0.00 2.95 0.00 0.00 42.46 42.88 1ug1 s ILE 59 CO 0.12 -0.34 -0.16 -0.62 -1.79 0.00 0.00 174.94 172.15 1ug1 s ASP 60 N -3.41 2.77 -0.15 4.36 2.15 -1.25 0.28 116.67 121.41 1ug1 s ASP 60 Ca 0.29 -0.52 -0.05 0.00 0.43 0.00 0.00 52.55 52.69 1ug1 s ASP 60 Cb 0.03 -1.24 -0.15 0.00 -0.30 0.00 0.00 42.92 41.26 1ug1 s ASP 60 CO 0.11 -0.03 3.30 -0.46 -0.17 0.00 0.00 175.17 177.92 1ug1 n ASN 61 N 4.64 5.65 -2.11 -0.34 6.94 -0.85 -3.62 115.26 125.57 1ug1 n ASN 61 Ca -0.18 -2.72 -0.01 0.00 -0.02 0.00 0.00 54.58 51.65 1ug1 n ASN 61 Cb 0.50 -1.35 -0.00 0.00 -2.36 0.00 0.00 39.78 36.57 1ug1 n ASN 61 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ug1 n GLY 62 N 1.93 -0.36 1.37 4.83 0.00 -1.26 -4.25 105.19 107.46 1ug1 n GLY 62 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1ug1 n GLY 62 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ug1 n VAL 63 N -2.15 0.00 -3.54 1.61 0.31 -1.26 -4.85 118.33 108.44 1ug1 n VAL 63 Ca -0.01 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 1ug1 n VAL 63 Cb 0.38 -0.23 -0.00 0.00 -0.91 0.00 0.00 33.84 33.07 1ug1 n VAL 63 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1ug1 n THR 64 N -2.19 0.00 -4.18 2.52 5.66 -1.26 -5.14 114.28 109.69 1ug1 n THR 64 Ca 0.00 -0.21 -0.34 0.00 -3.05 0.00 0.00 64.05 60.44 1ug1 n THR 64 Cb 0.00 0.14 -0.13 0.00 -1.55 0.00 0.00 70.33 68.79 1ug1 n THR 64 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1ug1 s LYS 65 N -2.09 3.57 0.01 1.09 1.02 -1.26 -2.02 119.74 120.06 1ug1 s LYS 65 Ca 0.03 -0.55 0.01 0.00 0.02 0.00 0.00 55.97 55.48 1ug1 s LYS 65 Cb -0.00 -2.99 -0.01 0.00 -0.52 0.00 0.00 37.83 34.31 1ug1 s LYS 65 CO 0.02 0.04 -0.04 0.20 -0.92 0.00 0.00 175.35 174.65 1ug1 s GLY 66 N 0.89 0.27 -0.21 -3.33 0.00 0.14 -4.86 107.32 100.22 1ug1 s GLY 66 Ca -0.00 -0.39 -0.09 0.00 0.00 0.00 0.00 44.72 44.23 1ug1 s GLY 66 CO 0.02 -0.41 0.12 -1.36 0.00 0.00 0.00 173.10 171.46 1ug1 s PHE 67 N -0.69 3.31 0.06 1.90 0.40 -1.21 0.24 117.98 121.99 1ug1 s PHE 67 Ca -0.05 0.17 -0.05 0.00 -0.60 0.00 0.00 56.93 56.40 1ug1 s PHE 67 Cb -0.05 -2.18 -0.02 0.00 0.51 0.00 0.00 43.02 41.28 1ug1 s PHE 67 CO -0.00 0.13 0.09 0.14 0.70 0.00 0.00 175.22 176.28 1ug1 s VAL 68 N 0.68 0.16 -0.04 -0.44 -7.23 -0.50 -4.34 120.40 108.69 1ug1 s VAL 68 Ca 0.06 -1.32 -0.27 0.00 -1.81 0.00 0.00 61.98 58.64 1ug1 s VAL 68 Cb -0.13 -1.21 -0.03 0.00 0.56 0.00 0.00 36.38 35.58 1ug1 s VAL 68 CO 0.01 -0.73 0.86 -0.31 -0.31 0.00 0.00 175.10 174.62 1ug1 s TYR 69 N -3.36 3.60 0.52 2.82 2.02 -1.26 -1.41 117.35 120.29 1ug1 s TYR 69 Ca 0.01 1.48 0.48 0.00 -0.37 0.00 0.00 57.07 58.67 1ug1 s TYR 69 Cb 0.03 -2.98 1.64 0.00 -0.40 0.00 0.00 41.96 40.25 1ug1 s TYR 69 CO -0.08 0.01 1.47 -1.13 -1.57 0.00 0.00 175.55 174.25 1ug1 n SER 70 N 3.98 0.00 0.02 2.29 3.41 -1.25 0.11 113.62 122.18 1ug1 n SER 70 Ca 0.03 0.94 -0.11 0.00 -0.26 0.00 0.00 58.87 59.47 1ug1 n SER 70 Cb 0.51 -0.47 -0.04 0.00 -0.26 0.00 0.00 64.21 63.95 1ug1 n SER 70 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1ug1 h SER 71 N 0.00 -0.92 0.27 4.04 0.87 -1.90 0.42 113.55 116.34 1ug1 h SER 71 Ca 0.89 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 61.58 1ug1 h SER 71 Cb 3.58 0.39 0.00 0.00 -0.44 0.00 0.00 62.40 65.92 1ug1 h SER 71 CO -0.01 -0.35 0.00 0.49 -0.53 0.00 0.00 176.83 176.43 1ug1 n PHE 72 N -5.40 0.00 -4.14 2.24 3.72 0.30 -4.67 117.46 109.51 1ug1 n PHE 72 Ca -0.04 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.13 1ug1 n PHE 72 Cb 0.32 -0.36 -0.06 0.00 -0.94 0.00 0.00 39.48 38.44 1ug1 n PHE 72 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1ug1 s LEU 73 N -2.72 3.31 0.00 4.37 1.43 0.15 -0.36 118.68 124.87 1ug1 s LEU 73 Ca 0.09 -0.67 -0.00 0.00 -1.03 0.00 0.00 54.13 52.52 1ug1 s LEU 73 Cb 0.08 -1.81 -0.01 0.00 0.03 0.00 0.00 46.19 44.48 1ug1 s LEU 73 CO 0.19 -0.19 -0.00 -1.59 0.23 0.00 0.00 176.35 174.98 1ug1 s LYS 74 N -3.80 0.12 -0.48 1.70 0.00 -0.57 -4.70 119.74 112.01 1ug1 s LYS 74 Ca 0.36 -0.20 -0.28 0.00 0.00 0.00 0.00 55.97 55.84 1ug1 s LYS 74 Cb -0.04 0.04 0.01 0.00 0.00 0.00 0.00 37.83 37.84 1ug1 s LYS 74 CO 0.22 -0.02 1.45 -1.25 0.00 0.00 0.00 175.35 175.76 1ug1 s PRO 75 N -0.51 3.40 1.28 1.78 0.04 -1.26 -0.34 135.00 139.39 1ug1 s PRO 75 Ca -0.06 0.74 -0.21 0.00 0.04 0.00 0.00 61.00 61.51 1ug1 s PRO 75 Cb -0.04 -4.09 0.32 0.00 0.04 0.00 0.00 34.50 30.74 1ug1 s PRO 75 CO -0.00 -1.80 0.99 0.98 0.04 0.00 0.00 177.00 177.21 1ug1 n TYR 76 N 9.40 -3.84 -3.00 0.56 9.36 -0.87 -4.96 117.16 123.82 1ug1 n TYR 76 Ca 0.15 -0.91 -0.04 0.00 3.32 0.00 0.00 57.90 60.43 1ug1 n TYR 76 Cb 0.49 -1.15 -0.01 0.00 -0.63 0.00 0.00 39.34 38.04 1ug1 n TYR 76 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 1ug1 s ASN 77 N -3.93 -1.20 0.00 2.98 0.01 -1.26 -4.98 114.94 106.56 1ug1 s ASN 77 Ca 0.68 -1.41 0.19 0.00 -0.71 0.00 0.00 52.86 51.61 1ug1 s ASN 77 Cb -0.08 1.74 1.15 0.00 0.41 0.00 0.00 41.25 44.47 1ug1 s ASN 77 CO 0.54 -0.12 1.59 -0.81 -1.51 0.00 0.00 177.10 176.79 1ug1 n PRO 78 N 3.60 0.75 -1.34 -0.60 -0.04 -1.26 -4.84 135.00 131.26 1ug1 n PRO 78 Ca 0.15 0.00 -0.52 0.00 -0.04 0.00 0.00 63.50 63.09 1ug1 n PRO 78 Cb 0.55 -1.40 -0.13 0.00 -0.04 0.00 0.00 33.50 32.48 1ug1 n PRO 78 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ug1 n ARG 79 N -0.90 0.00 -4.28 0.54 1.74 -1.26 -4.88 116.66 107.62 1ug1 n ARG 79 Ca 0.15 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.97 1ug1 n ARG 79 Cb 0.07 -1.49 -0.08 0.00 -1.02 0.00 0.00 32.46 29.93 1ug1 n ARG 79 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1ug1 s ARG 80 N 7.12 2.15 0.05 5.56 0.52 -1.26 -5.06 118.95 128.02 1ug1 s ARG 80 Ca 1.26 -1.94 -0.35 0.00 -0.52 0.00 0.00 55.73 54.18 1ug1 s ARG 80 Cb -1.40 -1.88 -0.19 0.00 0.52 0.00 0.00 34.95 32.00 1ug1 s ARG 80 CO 0.59 -0.12 1.44 1.03 0.02 0.00 0.00 175.30 178.26 1ug1 h SER 81 N 1.50 -1.06 -1.77 0.23 0.87 -2.04 -3.42 113.55 107.87 1ug1 h SER 81 Ca -0.43 0.04 -0.67 0.00 -1.23 0.00 0.00 61.79 59.50 1ug1 h SER 81 Cb 1.25 0.27 0.05 0.00 -0.44 0.00 0.00 62.40 63.54 1ug1 h SER 81 CO 0.73 -0.72 0.53 1.57 -0.53 0.00 0.00 176.83 178.41 1ug1 n HIS 82 N -5.57 1.66 -3.74 2.24 -0.00 -1.26 -4.93 115.22 103.61 1ug1 n HIS 82 Ca -0.15 0.57 -0.37 0.00 -0.00 0.00 0.00 57.72 57.77 1ug1 n HIS 82 Cb 0.49 -2.37 -0.07 0.00 -0.00 0.00 0.00 29.99 28.04 1ug1 n HIS 82 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1ug1 s SER 83 N 0.71 6.42 -0.30 0.26 1.04 -1.26 -5.06 113.70 115.51 1ug1 s SER 83 Ca 0.84 0.49 -0.16 0.00 0.48 0.00 0.00 55.95 57.60 1ug1 s SER 83 Cb -0.92 -2.12 0.18 0.00 0.10 0.00 0.00 66.02 63.26 1ug1 s SER 83 CO 0.46 0.30 1.11 1.51 0.98 0.00 0.00 173.24 177.60 1ug1 s ASP 84 N -0.51 -0.32 0.03 7.02 1.47 -1.26 -5.18 116.67 117.91 1ug1 s ASP 84 Ca 0.15 0.49 -0.27 0.00 1.18 0.00 0.00 52.55 54.10 1ug1 s ASP 84 Cb -0.13 1.21 0.09 0.00 -0.34 0.00 0.00 42.92 43.75 1ug1 s ASP 84 CO 0.04 -0.07 0.80 0.00 0.68 0.00 0.00 175.17 176.62 1ug1 s ALA 85 N 1.50 -1.76 -0.23 2.11 0.00 -1.26 -5.17 121.76 116.95 1ug1 s ALA 85 Ca -0.07 0.92 -0.31 0.00 0.00 0.00 0.00 51.96 52.50 1ug1 s ALA 85 Cb -0.03 0.45 0.16 0.00 0.00 0.00 0.00 23.12 23.69 1ug1 s ALA 85 CO -0.14 -0.67 1.23 0.45 0.00 0.00 0.00 175.76 176.63 1ug1 s SER 86 N -2.39 -0.15 0.04 0.00 0.15 -1.26 -5.18 113.70 104.92 1ug1 s SER 86 Ca 0.02 0.11 -0.07 0.00 0.70 0.00 0.00 55.95 56.71 1ug1 s SER 86 Cb -0.01 0.13 -0.00 0.00 -1.71 0.00 0.00 66.02 64.43 1ug1 s SER 86 CO -0.08 -0.17 0.15 -0.94 1.20 0.00 0.00 173.24 173.40 1ug1 s SER 87 N -1.41 0.11 -0.30 5.45 1.04 -1.26 -5.14 113.70 112.19 1ug1 s SER 87 Ca 0.07 -0.48 0.03 0.00 0.48 0.00 0.00 55.95 56.05 1ug1 s SER 87 Cb -0.01 0.27 0.17 0.00 0.10 0.00 0.00 66.02 66.55 1ug1 s SER 87 CO -0.05 -0.56 0.46 -0.83 0.98 0.00 0.00 173.24 173.24 1ug1 s GLY 88 N -2.20 -0.71 1.10 7.32 0.00 -1.26 -5.16 107.32 106.41 1ug1 s GLY 88 Ca -0.04 0.28 -0.18 0.00 0.00 0.00 0.00 44.72 44.78 1ug1 s GLY 88 CO -0.05 3.19 1.23 2.56 0.00 0.00 0.00 173.10 180.03 1ug1 s PRO 89 N 2.46 -0.47 0.13 2.90 0.04 -1.26 -5.09 135.00 133.71 1ug1 s PRO 89 Ca 0.11 -0.32 0.07 0.00 0.04 0.00 0.00 61.00 60.90 1ug1 s PRO 89 Cb -0.12 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.68 1ug1 s PRO 89 CO -0.26 -3.17 -0.16 0.45 0.04 0.00 0.00 177.00 173.90 1ug1 s SER 90 N -4.46 2.21 0.20 6.66 0.15 -1.26 -5.16 113.70 112.05 1ug1 s SER 90 Ca 0.74 -0.80 -0.03 0.00 0.70 0.00 0.00 55.95 56.55 1ug1 s SER 90 Cb -0.06 -0.10 -0.03 0.00 -1.71 0.00 0.00 66.02 64.12 1ug1 s SER 90 CO 0.55 -0.09 0.19 -0.44 1.20 0.00 0.00 173.24 174.65 1ug1 s SER 91 N -2.41 0.11 0.00 5.45 0.01 -1.26 -5.38 113.70 110.23 1ug1 s SER 91 Ca 0.10 -1.28 0.00 0.00 1.31 0.00 0.00 55.95 56.08 1ug1 s SER 91 Cb -0.06 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.59 1ug1 s SER 91 CO 0.04 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 173.41