#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ug1 n SER 2 N 0.00 -0.10 0.47 1.61 7.64 -1.26 -4.72 113.62 117.26 1ug1 n SER 2 Ca 0.00 0.28 -0.19 0.00 1.01 0.00 0.00 58.87 59.98 1ug1 n SER 2 Cb 0.00 0.24 -0.09 0.00 -1.01 0.00 0.00 64.21 63.35 1ug1 n SER 2 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1ug1 h SER 3 N 0.00 -1.03 0.83 6.43 0.02 -1.98 0.01 113.55 117.83 1ug1 h SER 3 Ca 0.00 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 1ug1 h SER 3 Cb 0.00 0.27 0.01 0.00 0.14 0.00 0.00 62.40 62.81 1ug1 h SER 3 CO 0.00 -0.69 -0.40 1.23 -1.14 0.00 0.00 176.83 175.83 1ug1 h GLY 4 N -1.30 -1.16 -0.76 -3.77 0.00 -2.00 -2.06 103.07 92.01 1ug1 h GLY 4 Ca -0.12 0.43 0.21 0.00 0.00 0.00 0.00 47.33 47.84 1ug1 h GLY 4 CO 0.20 -0.42 -0.10 0.23 0.00 0.00 0.00 176.54 176.45 1ug1 h SER 5 N -1.11 -0.63 -0.02 0.19 0.87 -1.85 0.29 113.55 111.30 1ug1 h SER 5 Ca -0.11 0.26 0.03 0.00 -1.23 0.00 0.00 61.79 60.74 1ug1 h SER 5 Cb 0.85 0.49 -0.05 0.00 -0.44 0.00 0.00 62.40 63.25 1ug1 h SER 5 CO 0.19 -0.29 -0.35 0.28 -0.53 0.00 0.00 176.83 176.13 1ug1 h SER 6 N 0.03 -1.05 -1.16 6.23 0.02 -0.80 0.12 113.55 116.95 1ug1 h SER 6 Ca 0.48 0.14 0.42 0.00 -0.84 0.00 0.00 61.79 61.98 1ug1 h SER 6 Cb 0.85 0.42 -0.15 0.00 0.14 0.00 0.00 62.40 63.66 1ug1 h SER 6 CO -0.87 -0.40 0.69 1.23 -1.14 0.00 0.00 176.83 176.34 1ug1 h GLY 7 N -0.49 1.81 1.06 -3.77 0.00 0.30 1.71 103.07 103.70 1ug1 h GLY 7 Ca 0.06 -0.15 -0.22 0.00 0.00 0.00 0.00 47.33 47.03 1ug1 h GLY 7 CO -0.29 -0.58 -0.81 0.00 0.00 0.00 0.00 176.54 174.86 1ug1 h ALA 8 N 1.79 0.17 -0.82 3.60 0.00 -0.69 -3.19 119.26 120.12 1ug1 h ALA 8 Ca 0.82 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1ug1 h ALA 8 Cb 2.33 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 20.11 1ug1 h ALA 8 CO -0.59 0.57 0.47 0.77 0.00 0.00 0.00 179.25 180.47 1ug1 h SER 9 N 0.29 1.01 -1.10 0.00 0.02 0.39 -1.60 113.55 112.55 1ug1 h SER 9 Ca -0.09 -0.07 0.31 0.00 -0.84 0.00 0.00 61.79 61.10 1ug1 h SER 9 Cb 1.47 -0.26 -0.11 0.00 0.14 0.00 0.00 62.40 63.64 1ug1 h SER 9 CO 0.16 0.79 0.70 -0.07 -1.14 0.00 0.00 176.83 177.27 1ug1 h LEU 10 N 1.14 0.42 -1.02 5.07 3.38 0.17 1.71 115.31 126.17 1ug1 h LEU 10 Ca 0.29 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.40 1ug1 h LEU 10 Cb -0.01 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 1ug1 h LEU 10 CO -0.05 0.00 0.66 -0.07 0.09 0.00 0.00 178.44 179.07 1ug1 h LEU 11 N 0.32 1.11 0.13 1.67 4.07 -1.39 1.03 115.31 122.25 1ug1 h LEU 11 Ca 0.66 -0.02 -0.24 0.00 0.08 0.00 0.00 57.88 58.37 1ug1 h LEU 11 Cb 1.76 -0.26 0.01 0.00 1.08 0.00 0.00 40.66 43.25 1ug1 h LEU 11 CO -0.37 0.77 -1.15 0.00 -1.08 0.00 0.00 178.44 176.62 1ug1 h ALA 12 N 1.41 0.04 -0.21 1.53 0.00 0.18 -3.35 119.26 118.86 1ug1 h ALA 12 Ca 0.39 -0.90 0.03 0.00 0.00 0.00 0.00 54.91 54.43 1ug1 h ALA 12 Cb -0.04 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1ug1 h ALA 12 CO -0.11 0.62 0.01 0.00 0.00 0.00 0.00 179.25 179.77 1ug1 h ARG 13 N -0.32 0.08 -6.36 0.00 3.08 0.19 -3.43 114.38 107.63 1ug1 h ARG 13 Ca -0.23 -0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.21 1ug1 h ARG 13 Cb 1.73 -0.02 -0.13 0.00 0.08 0.00 0.00 29.97 31.63 1ug1 h ARG 13 CO 0.11 0.05 -0.71 0.71 -1.07 0.00 0.00 179.97 179.07 1ug1 s TYR 14 N -6.19 2.62 0.97 3.04 1.51 0.35 -5.04 117.35 114.62 1ug1 s TYR 14 Ca -0.13 -0.23 -0.14 0.00 -1.01 0.00 0.00 57.07 55.55 1ug1 s TYR 14 Cb 0.10 -1.24 0.18 0.00 -0.11 0.00 0.00 41.96 40.89 1ug1 s TYR 14 CO 0.69 0.56 1.17 -1.25 -1.11 0.00 0.00 175.55 175.60 1ug1 s PRO 15 N -3.10 0.62 0.30 -1.71 0.04 -1.26 -4.34 135.00 125.55 1ug1 s PRO 15 Ca 0.27 0.09 0.15 0.00 0.04 0.00 0.00 61.00 61.55 1ug1 s PRO 15 Cb -0.08 -1.80 0.36 0.00 0.04 0.00 0.00 34.50 33.03 1ug1 s PRO 15 CO 0.16 -2.51 1.58 -1.00 0.04 0.00 0.00 177.00 175.28 1ug1 h PRO 16 N -1.72 0.00 0.00 0.56 0.13 -1.94 -1.96 132.00 127.07 1ug1 h PRO 16 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ug1 h PRO 16 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1ug1 h PRO 16 CO 0.52 0.54 0.00 -0.85 -0.23 0.00 0.00 178.00 177.98 1ug1 n GLU 17 N -3.50 0.58 -0.29 0.86 0.28 -1.26 -2.58 120.64 114.73 1ug1 n GLU 17 Ca 0.00 0.02 0.03 0.00 -0.16 0.00 0.00 57.16 57.05 1ug1 n GLU 17 Cb 0.64 -1.50 0.04 0.00 1.43 0.00 0.00 31.44 32.05 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 -1.16 0.55 -3.56 3.44 5.02 -1.04 -5.01 118.16 116.41 1ug1 n LYS 18 Ca 0.16 -1.43 -0.40 0.00 -2.02 0.00 0.00 58.31 54.62 1ug1 n LYS 18 Cb 0.16 -0.82 -0.11 0.00 -0.02 0.00 0.00 35.03 34.24 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 -0.89 4.37 0.01 -0.35 1.43 -0.76 0.14 118.68 122.63 1ug1 s LEU 19 Ca 0.09 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 52.86 1ug1 s LEU 19 Cb 0.08 -2.12 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 1ug1 s LEU 19 CO 0.01 -0.19 -0.06 -0.36 0.23 0.00 0.00 176.35 175.98 1ug1 s PHE 20 N 1.72 0.52 0.40 0.29 0.08 0.08 -1.08 117.98 119.98 1ug1 s PHE 20 Ca 0.06 -0.20 0.08 0.00 0.12 0.00 0.00 56.93 56.98 1ug1 s PHE 20 Cb -0.17 -0.32 -0.02 0.00 -0.57 0.00 0.00 43.02 41.93 1ug1 s PHE 20 CO 0.10 -0.03 0.34 -1.14 -0.10 0.00 0.00 175.22 174.39 1ug1 s GLN 21 N -0.53 2.55 -0.41 0.44 0.74 0.26 -0.71 119.66 122.00 1ug1 s GLN 21 Ca -0.01 -1.51 -0.26 0.00 0.05 0.00 0.00 55.36 53.63 1ug1 s GLN 21 Cb -0.04 -2.36 0.02 0.00 1.10 0.00 0.00 33.01 31.72 1ug1 s GLN 21 CO -0.00 -0.11 0.96 0.00 -0.55 0.00 0.00 175.29 175.58 1ug1 s ALA 22 N -2.44 3.33 0.28 1.58 0.00 -0.95 0.91 121.76 124.47 1ug1 s ALA 22 Ca 0.46 -0.53 0.02 0.00 0.00 0.00 0.00 51.96 51.90 1ug1 s ALA 22 Cb -0.03 -3.62 0.59 0.00 0.00 0.00 0.00 23.12 20.06 1ug1 s ALA 22 CO 0.27 -1.81 1.81 0.93 0.00 0.00 0.00 175.76 176.96 1ug1 h GLU 23 N 8.73 0.86 -3.98 0.00 4.39 0.47 -3.38 114.58 121.66 1ug1 h GLU 23 Ca -0.23 -0.05 -0.16 0.00 0.34 0.00 0.00 59.36 59.25 1ug1 h GLU 23 Cb 1.07 -0.19 -0.10 0.00 -0.10 0.00 0.00 28.75 29.43 1ug1 h GLU 23 CO 1.02 0.57 -0.23 -0.98 -1.16 0.00 0.00 179.01 178.22 1ug1 s ARG 24 N -5.94 1.61 -0.68 2.33 1.70 -1.24 -4.89 118.95 111.84 1ug1 s ARG 24 Ca -0.12 -1.49 -0.26 0.00 -0.47 0.00 0.00 55.73 53.39 1ug1 s ARG 24 Cb 0.23 0.43 -0.10 0.00 -0.57 0.00 0.00 34.95 34.94 1ug1 s ARG 24 CO 0.80 -0.65 2.33 -0.80 -1.08 0.00 0.00 175.30 175.90 1ug1 s ASN 25 N -3.12 4.29 0.12 -2.89 -0.87 -1.26 -3.68 114.94 107.54 1ug1 s ASN 25 Ca 0.28 0.37 -0.30 0.00 -1.57 0.00 0.00 52.86 51.64 1ug1 s ASN 25 Cb 0.01 -2.53 -0.06 0.00 -0.02 0.00 0.00 41.25 38.64 1ug1 s ASN 25 CO 0.13 -3.32 1.08 0.12 -2.57 0.00 0.00 177.10 172.54 1ug1 s PHE 26 N 13.05 3.61 -0.26 2.20 2.19 -0.54 -4.91 117.98 133.33 1ug1 s PHE 26 Ca 0.90 1.59 0.00 0.00 0.33 0.00 0.00 56.93 59.76 1ug1 s PHE 26 Cb -0.14 -3.24 0.04 0.00 -1.31 0.00 0.00 43.02 38.37 1ug1 s PHE 26 CO 0.14 -0.51 -0.07 1.21 1.83 0.00 0.00 175.22 177.82 1ug1 s ASN 27 N 0.25 4.42 -0.07 6.13 3.84 -1.26 -0.77 114.94 127.48 1ug1 s ASN 27 Ca 0.51 -1.16 -0.40 0.00 0.21 0.00 0.00 52.86 52.03 1ug1 s ASN 27 Cb -0.27 -1.62 -0.18 0.00 -0.55 0.00 0.00 41.25 38.62 1ug1 s ASN 27 CO 0.32 -0.18 1.31 0.00 -2.79 0.00 0.00 177.10 175.77 1ug1 n ALA 28 N 4.56 -2.00 -0.08 1.71 0.00 -1.26 -4.85 120.51 118.59 1ug1 n ALA 28 Ca -0.15 0.53 -0.16 0.00 0.00 0.00 0.00 53.44 53.67 1ug1 n ALA 28 Cb 0.44 -1.95 -0.07 0.00 0.00 0.00 0.00 19.45 17.88 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 2.65 1.78 -2.66 0.00 0.00 -1.26 -4.90 120.51 116.11 1ug1 n ALA 29 Ca 0.22 -0.69 -0.13 0.00 0.00 0.00 0.00 53.44 52.83 1ug1 n ALA 29 Cb 0.11 0.21 0.06 0.00 0.00 0.00 0.00 19.45 19.83 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 -3.45 0.42 0.19 0.00 6.02 -1.26 -4.97 117.38 114.32 1ug1 n GLN 30 Ca -0.32 -1.62 0.12 0.00 -0.01 0.00 0.00 57.00 55.17 1ug1 n GLN 30 Cb 0.77 -0.29 0.19 0.00 1.02 0.00 0.00 30.24 31.93 1ug1 n GLN 30 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 1ug1 h ASP 31 N -0.19 0.00 0.64 1.08 1.82 -2.01 -3.10 116.42 114.67 1ug1 h ASP 31 Ca -0.17 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.46 1ug1 h ASP 31 Cb 0.69 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.70 1ug1 h ASP 31 CO 0.21 0.00 -1.20 0.18 -1.61 0.00 0.00 179.24 176.82 1ug1 n LEU 32 N -2.90 0.60 -4.79 2.28 4.77 -1.26 -4.89 117.00 110.80 1ug1 n LEU 32 Ca 0.04 0.17 -0.36 0.00 -0.03 0.00 0.00 56.01 55.82 1ug1 n LEU 32 Cb 0.52 -0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 1ug1 n LEU 32 CO 0.34 -0.08 0.59 -1.81 -1.33 0.00 0.00 177.39 175.10 1ug1 s ASP 33 N -4.76 7.23 -0.01 -1.43 1.11 -1.17 -1.91 116.67 115.73 1ug1 s ASP 33 Ca -0.01 1.72 0.04 0.00 0.18 0.00 0.00 52.55 54.48 1ug1 s ASP 33 Cb 0.12 -2.54 -0.01 0.00 1.07 0.00 0.00 42.92 41.57 1ug1 s ASP 33 CO 0.81 -0.08 -0.12 0.68 1.18 0.00 0.00 175.17 177.65 1ug1 s VAL 34 N -1.66 0.93 0.57 -1.27 -7.23 -1.26 -4.61 120.40 105.88 1ug1 s VAL 34 Ca 0.50 -0.50 -0.21 0.00 -1.81 0.00 0.00 61.98 59.96 1ug1 s VAL 34 Cb -0.17 -0.78 -0.04 0.00 0.56 0.00 0.00 36.38 35.94 1ug1 s VAL 34 CO 0.22 0.27 1.28 -1.54 -0.31 0.00 0.00 175.10 175.01 1ug1 n SER 35 N 2.84 2.24 -3.74 4.85 3.41 -1.26 -4.20 113.62 117.75 1ug1 n SER 35 Ca -0.14 0.92 -0.12 0.00 -0.26 0.00 0.00 58.87 59.27 1ug1 n SER 35 Cb 0.56 -1.54 -0.07 0.00 -0.26 0.00 0.00 64.21 62.90 1ug1 n SER 35 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ug1 s LEU 36 N -3.35 0.83 -0.12 1.04 1.43 0.05 -4.90 118.68 113.67 1ug1 s LEU 36 Ca 0.74 -0.19 -0.08 0.00 -1.03 0.00 0.00 54.13 53.58 1ug1 s LEU 36 Cb -0.41 1.40 -0.04 0.00 0.03 0.00 0.00 46.19 47.16 1ug1 s LEU 36 CO 0.47 -0.63 0.16 -0.76 0.23 0.00 0.00 176.35 175.82 1ug1 s LEU 37 N -2.11 4.38 0.65 1.79 1.43 -1.26 -1.47 118.68 122.10 1ug1 s LEU 37 Ca -0.04 0.49 0.22 0.00 -1.03 0.00 0.00 54.13 53.76 1ug1 s LEU 37 Cb -0.01 -2.12 1.13 0.00 0.03 0.00 0.00 46.19 45.23 1ug1 s LEU 37 CO -0.04 0.38 1.63 1.05 0.23 0.00 0.00 176.35 179.61 1ug1 h GLU 38 N 5.11 0.00 0.00 1.70 4.11 -1.75 1.61 114.58 125.37 1ug1 h GLU 38 Ca -0.53 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 58.77 1ug1 h GLU 38 Cb 1.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 1ug1 h GLU 38 CO 0.60 0.00 -1.84 0.41 0.07 0.00 0.00 179.01 178.25 1ug1 n GLY 39 N -1.37 -1.10 3.69 1.06 0.00 -1.26 -4.03 105.19 102.19 1ug1 n GLY 39 Ca 0.02 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.56 2.54 -4.72 1.61 8.00 0.55 -4.80 116.55 117.18 1ug1 n ASP 40 Ca -0.11 1.16 -0.28 0.00 0.71 0.00 0.00 54.79 56.27 1ug1 n ASP 40 Cb 0.76 -1.47 -0.07 0.00 -0.02 0.00 0.00 41.12 40.32 1ug1 n ASP 40 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1ug1 s LEU 41 N -1.14 3.56 0.09 0.64 1.98 -1.26 -2.24 118.68 120.30 1ug1 s LEU 41 Ca 0.58 -0.19 -0.08 0.00 -2.89 0.00 0.00 54.13 51.55 1ug1 s LEU 41 Cb -0.55 -2.24 -0.00 0.00 0.66 0.00 0.00 46.19 44.05 1ug1 s LEU 41 CO 0.60 0.13 0.18 0.68 -1.89 0.00 0.00 176.35 176.05 1ug1 s VAL 42 N -1.51 0.15 -0.29 1.68 -7.23 0.11 -4.67 120.40 108.64 1ug1 s VAL 42 Ca 0.28 -1.23 0.03 0.00 -1.81 0.00 0.00 61.98 59.25 1ug1 s VAL 42 Cb -0.11 -1.36 0.08 0.00 0.56 0.00 0.00 36.38 35.55 1ug1 s VAL 42 CO 0.20 -0.67 -0.02 -0.83 -0.31 0.00 0.00 175.10 173.47 1ug1 s GLY 43 N -2.87 1.63 0.04 2.32 0.00 -1.21 -0.74 107.32 106.49 1ug1 s GLY 43 Ca 0.05 -1.94 -0.35 0.00 0.00 0.00 0.00 44.72 42.48 1ug1 s GLY 43 CO -0.11 0.88 0.90 -0.62 0.00 0.00 0.00 173.10 174.15 1ug1 n VAL 44 N 4.45 0.36 -0.07 1.40 0.31 0.37 -3.61 118.33 121.54 1ug1 n VAL 44 Ca -0.06 -0.09 -0.13 0.00 -0.01 0.00 0.00 64.34 64.05 1ug1 n VAL 44 Cb 0.42 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.31 1ug1 n VAL 44 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1ug1 n ILE 45 N 1.14 1.23 -4.34 2.52 5.41 0.17 -4.87 119.36 120.61 1ug1 n ILE 45 Ca 0.18 -0.01 -0.20 0.00 1.00 0.00 0.00 62.75 63.73 1ug1 n ILE 45 Cb 0.11 -1.93 -0.13 0.00 -0.71 0.00 0.00 39.64 36.97 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 -2.48 0.90 -0.40 0.38 1.02 -1.06 -5.00 119.74 113.10 1ug1 s LYS 46 Ca -0.23 -0.73 0.06 0.00 0.02 0.00 0.00 55.97 55.08 1ug1 s LYS 46 Cb 0.06 -0.90 0.61 0.00 -0.52 0.00 0.00 37.83 37.08 1ug1 s LYS 46 CO 0.31 0.22 1.76 1.63 -0.92 0.00 0.00 175.35 178.35 1ug1 n LYS 47 N 1.93 2.11 -3.63 1.68 5.02 -1.26 -1.98 118.16 122.04 1ug1 n LYS 47 Ca -0.18 -3.09 -0.04 0.00 -2.02 0.00 0.00 58.31 52.98 1ug1 n LYS 47 Cb 0.55 -2.05 -0.06 0.00 -0.02 0.00 0.00 35.03 33.44 1ug1 n LYS 47 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1ug1 s LYS 48 N -3.30 0.55 0.60 1.97 1.02 -1.26 -4.70 119.74 114.62 1ug1 s LYS 48 Ca 0.53 1.00 -0.09 0.00 0.02 0.00 0.00 55.97 57.43 1ug1 s LYS 48 Cb 0.46 0.20 -0.03 0.00 -0.52 0.00 0.00 37.83 37.94 1ug1 s LYS 48 CO 0.07 -0.12 0.97 0.16 -0.92 0.00 0.00 175.35 175.51 1ug1 s ASP 49 N 1.69 6.04 -1.18 2.83 -4.77 -1.15 -4.83 116.67 115.31 1ug1 s ASP 49 Ca -0.09 1.19 -0.11 0.00 -3.30 0.00 0.00 52.55 50.24 1ug1 s ASP 49 Cb -0.05 -2.26 -0.07 0.00 -1.09 0.00 0.00 42.92 39.46 1ug1 s ASP 49 CO -0.18 -0.90 2.33 -0.81 0.70 0.00 0.00 175.17 176.31 1ug1 n PRO 50 N -2.67 2.55 0.08 2.11 -0.04 -1.26 -3.28 135.00 132.49 1ug1 n PRO 50 Ca 0.05 -1.93 0.00 0.00 -0.04 0.00 0.00 63.50 61.57 1ug1 n PRO 50 Cb 0.55 -2.78 0.00 0.00 -0.04 0.00 0.00 33.50 31.23 1ug1 n PRO 50 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1ug1 n MET 51 N 4.92 0.00 0.00 0.54 2.81 -1.26 -5.08 117.12 119.05 1ug1 n MET 51 Ca 0.56 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.45 1ug1 n MET 51 Cb 0.26 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.77 1ug1 n MET 51 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ug1 n GLY 52 N -1.26 -0.17 3.45 3.03 0.00 -1.20 -5.17 105.19 103.87 1ug1 n GLY 52 Ca 0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 46.02 45.87 1ug1 n GLY 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ug1 s SER 53 N 0.00 -0.70 0.03 1.61 1.04 -1.26 -5.01 113.70 109.41 1ug1 s SER 53 Ca 0.00 1.27 0.24 0.00 0.48 0.00 0.00 55.95 57.94 1ug1 s SER 53 Cb 0.00 1.69 0.34 0.00 0.10 0.00 0.00 66.02 68.15 1ug1 s SER 53 CO 0.00 -0.22 1.29 0.00 0.98 0.00 0.00 173.24 175.29 1ug1 n GLN 54 N 5.22 0.10 0.10 4.02 10.64 -1.26 -2.91 117.38 133.28 1ug1 n GLN 54 Ca -0.12 0.01 -0.00 0.00 -1.83 0.00 0.00 57.00 55.06 1ug1 n GLN 54 Cb 0.51 -1.55 0.28 0.00 -0.86 0.00 0.00 30.24 28.62 1ug1 n GLN 54 CO 0.00 0.00 0.00 -0.97 -1.83 0.00 0.00 177.06 174.26 1ug1 h ASN 55 N 0.00 0.24 -3.36 2.61 -0.73 -1.95 -3.41 115.58 108.99 1ug1 h ASN 55 Ca 0.00 -0.08 -0.64 0.00 1.87 0.00 0.00 56.30 57.45 1ug1 h ASN 55 Cb 0.58 -0.07 -0.23 0.00 0.27 0.00 0.00 38.32 38.88 1ug1 h ASN 55 CO 0.00 0.55 -0.67 -0.60 -0.37 0.00 0.00 177.43 176.33 1ug1 s ARG 56 N -4.35 3.62 0.26 6.67 3.52 -1.25 -3.20 118.95 124.22 1ug1 s ARG 56 Ca -0.05 -0.54 0.12 0.00 -0.13 0.00 0.00 55.73 55.13 1ug1 s ARG 56 Cb 0.14 -2.96 -0.05 0.00 -1.56 0.00 0.00 34.95 30.52 1ug1 s ARG 56 CO 0.76 0.13 -0.20 -1.58 -0.81 0.00 0.00 175.30 173.59 1ug1 s TRP 57 N 0.66 2.25 -0.30 5.12 0.51 -0.03 -3.77 118.94 123.38 1ug1 s TRP 57 Ca -0.02 -0.35 -0.13 0.00 -2.12 0.00 0.00 56.10 53.48 1ug1 s TRP 57 Cb -0.14 -1.00 -0.03 0.00 -0.81 0.00 0.00 33.47 31.49 1ug1 s TRP 57 CO 0.02 0.66 0.30 -1.17 -0.51 0.00 0.00 176.95 176.25 1ug1 s LEU 58 N -3.37 4.19 0.32 2.99 2.96 -0.84 -2.05 118.68 122.89 1ug1 s LEU 58 Ca 0.28 -0.02 0.10 0.00 -0.22 0.00 0.00 54.13 54.27 1ug1 s LEU 58 Cb -0.05 -2.27 -0.06 0.00 0.50 0.00 0.00 46.19 44.31 1ug1 s LEU 58 CO 0.14 -0.19 -0.08 0.27 -1.32 0.00 0.00 176.35 175.17 1ug1 s ILE 59 N 1.92 2.51 -0.13 6.68 -5.25 -0.60 0.43 121.20 126.75 1ug1 s ILE 59 Ca 0.11 -2.16 -0.02 0.00 -0.99 0.00 0.00 60.65 57.59 1ug1 s ILE 59 Cb -0.16 -2.63 -0.02 0.00 2.95 0.00 0.00 42.46 42.60 1ug1 s ILE 59 CO 0.11 -0.26 -0.07 1.51 -1.79 0.00 0.00 174.94 174.43 1ug1 s ASP 60 N -3.62 4.53 -0.36 4.36 -4.77 -1.24 -2.23 116.67 113.33 1ug1 s ASP 60 Ca 0.32 -0.17 0.08 0.00 -3.30 0.00 0.00 52.55 49.48 1ug1 s ASP 60 Cb -0.01 -1.62 0.67 0.00 -1.09 0.00 0.00 42.92 40.88 1ug1 s ASP 60 CO 0.17 0.20 1.78 -0.46 0.70 0.00 0.00 175.17 177.57 1ug1 n ASN 61 N 3.30 4.00 -2.39 2.11 6.94 -1.18 -3.33 115.26 124.71 1ug1 n ASN 61 Ca -0.18 -3.45 -0.18 0.00 -0.02 0.00 0.00 54.58 50.75 1ug1 n ASN 61 Cb 0.53 -0.76 -0.01 0.00 -2.36 0.00 0.00 39.78 37.18 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 -0.72 -0.44 2.02 4.83 0.00 -1.26 -4.60 105.19 105.02 1ug1 n GLY 62 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 -3.75 0.00 -2.71 1.61 0.31 -1.26 -4.99 118.33 107.54 1ug1 n VAL 63 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 1ug1 n VAL 63 Cb 0.66 -0.22 0.00 0.00 -0.91 0.00 0.00 33.84 33.37 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 -2.64 0.00 -4.23 2.52 5.66 -1.26 -5.15 114.28 109.19 1ug1 n THR 64 Ca 0.00 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.67 1ug1 n THR 64 Cb 0.00 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 68.62 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 0.77 3.05 0.24 1.09 1.02 -1.26 -3.09 119.74 121.55 1ug1 s LYS 65 Ca 0.00 -0.81 0.08 0.00 0.02 0.00 0.00 55.97 55.27 1ug1 s LYS 65 Cb 0.00 -2.60 -0.05 0.00 -0.52 0.00 0.00 37.83 34.66 1ug1 s LYS 65 CO 0.00 -0.16 -0.13 0.20 -0.92 0.00 0.00 175.35 174.34 1ug1 s GLY 66 N 1.19 1.61 -0.17 -3.33 0.00 -0.95 -4.87 107.32 100.81 1ug1 s GLY 66 Ca 0.02 -1.76 0.01 0.00 0.00 0.00 0.00 44.72 42.99 1ug1 s GLY 66 CO -0.09 -1.82 -0.17 -1.36 0.00 0.00 0.00 173.10 169.66 1ug1 s PHE 67 N -2.89 2.77 0.17 1.90 0.40 -0.80 -1.56 117.98 117.97 1ug1 s PHE 67 Ca 0.26 -1.26 -0.01 0.00 -0.60 0.00 0.00 56.93 55.31 1ug1 s PHE 67 Cb -0.00 -1.90 -0.04 0.00 0.51 0.00 0.00 43.02 41.58 1ug1 s PHE 67 CO 0.10 -0.60 0.11 0.14 0.70 0.00 0.00 175.22 175.66 1ug1 s VAL 68 N 1.02 0.05 -0.13 -0.44 -7.23 -0.87 -4.41 120.40 108.38 1ug1 s VAL 68 Ca -0.02 -1.93 -0.18 0.00 -1.81 0.00 0.00 61.98 58.04 1ug1 s VAL 68 Cb -0.15 -2.28 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 1ug1 s VAL 68 CO -0.04 -0.21 0.47 -0.31 -0.31 0.00 0.00 175.10 174.69 1ug1 s TYR 69 N -4.10 3.49 0.57 2.82 2.02 -1.26 -0.85 117.35 120.04 1ug1 s TYR 69 Ca 0.31 0.85 0.41 0.00 -0.37 0.00 0.00 57.07 58.28 1ug1 s TYR 69 Cb 0.07 -2.55 1.47 0.00 -0.40 0.00 0.00 41.96 40.55 1ug1 s TYR 69 CO 0.07 0.14 1.53 0.66 -1.57 0.00 0.00 175.55 176.38 1ug1 h SER 70 N 6.81 0.00 -0.20 2.29 4.64 -1.88 1.40 113.55 126.61 1ug1 h SER 70 Ca -0.40 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.92 1ug1 h SER 70 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1ug1 h SER 70 CO 0.75 0.00 0.12 -1.28 -0.87 0.00 0.00 176.83 175.56 1ug1 h SER 71 N 0.00 0.21 0.34 4.97 0.87 -1.91 -0.24 113.55 117.78 1ug1 h SER 71 Ca 0.75 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.31 1ug1 h SER 71 Cb 3.30 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 65.21 1ug1 h SER 71 CO -0.01 0.15 0.00 0.49 -0.53 0.00 0.00 176.83 176.93 1ug1 n PHE 72 N -4.96 0.00 -4.30 2.24 3.72 0.48 -4.71 117.46 109.92 1ug1 n PHE 72 Ca -0.03 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.13 1ug1 n PHE 72 Cb 0.03 -0.30 -0.08 0.00 -0.94 0.00 0.00 39.48 38.19 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 -2.60 3.04 0.05 4.37 1.43 -0.10 0.10 118.68 124.97 1ug1 s LEU 73 Ca 0.16 -0.88 0.02 0.00 -1.03 0.00 0.00 54.13 52.40 1ug1 s LEU 73 Cb 0.11 -1.48 -0.03 0.00 0.03 0.00 0.00 46.19 44.83 1ug1 s LEU 73 CO 0.26 -0.17 -0.08 -1.59 0.23 0.00 0.00 176.35 175.01 1ug1 s LYS 74 N -3.71 0.59 -0.51 1.70 0.00 0.26 -4.59 119.74 113.47 1ug1 s LYS 74 Ca 0.34 -0.87 -0.28 0.00 0.00 0.00 0.00 55.97 55.16 1ug1 s LYS 74 Cb -0.02 -0.28 0.01 0.00 0.00 0.00 0.00 37.83 37.53 1ug1 s LYS 74 CO 0.20 0.04 1.47 -1.25 0.00 0.00 0.00 175.35 175.81 1ug1 s PRO 75 N -2.01 3.32 0.72 1.78 0.04 -1.26 0.90 135.00 138.48 1ug1 s PRO 75 Ca -0.06 0.64 -0.09 0.00 0.04 0.00 0.00 61.00 61.53 1ug1 s PRO 75 Cb -0.07 -4.12 0.15 0.00 0.04 0.00 0.00 34.50 30.49 1ug1 s PRO 75 CO -0.01 -1.90 0.33 0.98 0.04 0.00 0.00 177.00 176.44 1ug1 n TYR 76 N 9.67 -2.18 -3.06 0.56 9.36 -0.24 -4.89 117.16 126.39 1ug1 n TYR 76 Ca 0.15 -0.10 0.00 0.00 3.32 0.00 0.00 57.90 61.28 1ug1 n TYR 76 Cb 0.49 -0.91 -0.00 0.00 -0.63 0.00 0.00 39.34 38.29 1ug1 n TYR 76 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1ug1 s ASN 77 N -1.96 -1.26 0.00 2.98 2.47 -1.26 -4.98 114.94 110.93 1ug1 s ASN 77 Ca 0.25 -0.75 0.19 0.00 0.42 0.00 0.00 52.86 52.97 1ug1 s ASN 77 Cb -0.04 1.62 1.16 0.00 -1.45 0.00 0.00 41.25 42.53 1ug1 s ASN 77 CO 0.21 -0.13 1.60 -0.81 -3.72 0.00 0.00 177.10 174.25 1ug1 n PRO 78 N 4.06 0.75 -1.74 0.43 -0.04 -1.26 -4.97 135.00 132.24 1ug1 n PRO 78 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1ug1 n PRO 78 Cb 0.58 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 1ug1 n PRO 78 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1ug1 n ARG 79 N -0.90 -4.77 -1.25 0.54 0.63 -1.26 -4.94 116.66 104.70 1ug1 n ARG 79 Ca 0.15 3.44 0.14 0.00 -0.92 0.00 0.00 57.85 60.66 1ug1 n ARG 79 Cb 0.07 -3.73 -0.06 0.00 0.45 0.00 0.00 32.46 29.18 1ug1 n ARG 79 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1ug1 n ARG 80 N 0.84 -2.51 -3.66 -0.14 5.12 -1.26 -4.99 116.66 110.06 1ug1 n ARG 80 Ca 0.00 1.94 -0.09 0.00 -1.93 0.00 0.00 57.85 57.77 1ug1 n ARG 80 Cb 0.00 -3.09 -0.08 0.00 -1.16 0.00 0.00 32.46 28.12 1ug1 n ARG 80 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1ug1 s SER 81 N -6.46 -0.76 0.67 0.55 0.01 -1.26 -5.12 113.70 101.33 1ug1 s SER 81 Ca 0.00 1.27 0.03 0.00 1.31 0.00 0.00 55.95 58.57 1ug1 s SER 81 Cb 0.00 1.17 0.12 0.00 0.21 0.00 0.00 66.02 67.52 1ug1 s SER 81 CO 0.00 -0.22 0.93 -1.00 0.41 0.00 0.00 173.24 173.36 1ug1 s HIS 82 N 1.35 1.42 -0.17 2.43 3.76 -1.26 -4.99 115.29 117.84 1ug1 s HIS 82 Ca -0.08 -0.47 -0.29 0.00 -0.15 0.00 0.00 55.06 54.07 1ug1 s HIS 82 Cb -0.06 -2.70 -0.06 0.00 1.11 0.00 0.00 32.58 30.88 1ug1 s HIS 82 CO -0.14 -1.55 2.11 -1.54 -0.85 0.00 0.00 174.74 172.77 1ug1 s SER 83 N -4.73 5.74 -0.28 1.40 1.04 -1.26 -4.94 113.70 110.67 1ug1 s SER 83 Ca 0.65 2.02 -0.08 0.00 0.48 0.00 0.00 55.95 59.02 1ug1 s SER 83 Cb -0.05 -2.52 -0.01 0.00 0.10 0.00 0.00 66.02 63.54 1ug1 s SER 83 CO 0.43 -1.72 0.09 1.51 0.98 0.00 0.00 173.24 174.53 1ug1 s ASP 84 N 7.14 5.19 1.23 7.02 -4.77 -1.26 -5.09 116.67 126.13 1ug1 s ASP 84 Ca 0.95 -0.47 -0.14 0.00 -3.30 0.00 0.00 52.55 49.59 1ug1 s ASP 84 Cb -0.34 -1.92 0.31 0.00 -1.09 0.00 0.00 42.92 39.88 1ug1 s ASP 84 CO 0.36 -0.13 0.99 0.00 0.70 0.00 0.00 175.17 177.09 1ug1 n ALA 85 N 4.91 -3.30 -1.42 2.11 0.00 -1.26 -4.80 120.51 116.75 1ug1 n ALA 85 Ca -0.15 -1.31 0.05 0.00 0.00 0.00 0.00 53.44 52.04 1ug1 n ALA 85 Cb 0.50 -1.95 -0.03 0.00 0.00 0.00 0.00 19.45 17.97 1ug1 n ALA 85 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ug1 n SER 86 N -5.09 -7.69 0.00 0.00 7.64 -1.26 -5.04 113.62 102.19 1ug1 n SER 86 Ca 0.03 1.63 0.00 0.00 1.01 0.00 0.00 58.87 61.54 1ug1 n SER 86 Cb 0.55 -4.65 0.00 0.00 -1.01 0.00 0.00 64.21 59.10 1ug1 n SER 86 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ug1 n SER 87 N -3.06 0.00 -3.62 6.43 3.41 -1.26 -5.15 113.62 110.37 1ug1 n SER 87 Ca -0.03 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.52 1ug1 n SER 87 Cb 0.51 0.09 -0.06 0.00 -0.26 0.00 0.00 64.21 64.50 1ug1 n SER 87 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1ug1 s GLY 88 N -1.43 0.00 1.09 5.00 0.00 -1.26 -5.18 107.32 105.55 1ug1 s GLY 88 Ca 0.00 2.73 -0.18 0.00 0.00 0.00 0.00 44.72 47.27 1ug1 s GLY 88 CO 0.00 1.41 1.22 2.56 0.00 0.00 0.00 173.10 178.30 1ug1 s PRO 89 N -0.57 -0.38 -0.07 2.90 0.04 -1.26 -5.07 135.00 130.60 1ug1 s PRO 89 Ca 0.04 -0.28 0.01 0.00 0.04 0.00 0.00 61.00 60.81 1ug1 s PRO 89 Cb -0.02 -1.71 -0.03 0.00 0.04 0.00 0.00 34.50 32.77 1ug1 s PRO 89 CO -0.07 -3.11 -0.06 0.45 0.04 0.00 0.00 177.00 174.25 1ug1 s SER 90 N -4.43 4.70 0.91 6.66 0.15 -1.26 -5.10 113.70 115.32 1ug1 s SER 90 Ca 0.73 -0.01 -0.11 0.00 0.70 0.00 0.00 55.95 57.27 1ug1 s SER 90 Cb -0.06 -1.19 0.14 0.00 -1.71 0.00 0.00 66.02 63.20 1ug1 s SER 90 CO 0.55 0.36 1.12 -0.94 1.20 0.00 0.00 173.24 175.53 1ug1 s SER 91 N -0.83 3.07 0.00 5.45 1.04 -1.26 -5.34 113.70 115.83 1ug1 s SER 91 Ca 0.13 2.00 0.00 0.00 0.48 0.00 0.00 55.95 58.56 1ug1 s SER 91 Cb -0.11 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.50 1ug1 s SER 91 CO 0.02 -2.97 0.00 0.61 0.98 0.00 0.00 173.24 171.87