#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 0.19 0.12 1.61 0.01 -1.26 -5.06 113.70 109.30 1ug1 s SER 2 Ca 0.00 -0.71 -0.31 0.00 1.31 0.00 0.00 55.95 56.25 1ug1 s SER 2 Cb 0.00 0.31 -0.09 0.00 0.21 0.00 0.00 66.02 66.45 1ug1 s SER 2 CO 0.00 -0.70 1.58 0.77 0.41 0.00 0.00 173.24 175.31 1ug1 h SER 3 N 2.86 -1.29 -0.33 2.44 4.64 -1.96 -0.44 113.55 119.47 1ug1 h SER 3 Ca -0.34 0.15 0.03 0.00 -0.47 0.00 0.00 61.79 61.16 1ug1 h SER 3 Cb 1.19 0.49 -0.05 0.00 -0.31 0.00 0.00 62.40 63.72 1ug1 h SER 3 CO 0.58 -0.48 -0.28 1.23 -0.87 0.00 0.00 176.83 177.01 1ug1 h GLY 4 N -0.62 -1.63 -0.38 -0.77 0.00 -1.98 1.07 103.07 98.76 1ug1 h GLY 4 Ca 0.03 0.87 0.21 0.00 0.00 0.00 0.00 47.33 48.44 1ug1 h GLY 4 CO -0.29 -0.47 0.16 1.76 0.00 0.00 0.00 176.54 177.70 1ug1 h SER 5 N -0.11 -0.10 0.23 0.19 0.02 -1.92 0.13 113.55 111.99 1ug1 h SER 5 Ca 0.05 0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 1ug1 h SER 5 Cb 0.25 0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1ug1 h SER 5 CO -0.37 -0.15 -0.11 -1.28 -1.14 0.00 0.00 176.83 173.78 1ug1 h SER 6 N 0.19 -0.27 -1.08 3.07 0.87 0.10 -0.41 113.55 116.03 1ug1 h SER 6 Ca 0.50 -0.04 0.30 0.00 -1.23 0.00 0.00 61.79 61.31 1ug1 h SER 6 Cb 0.95 0.07 -0.11 0.00 -0.44 0.00 0.00 62.40 62.87 1ug1 h SER 6 CO -0.64 -0.13 0.68 1.23 -0.53 0.00 0.00 176.83 177.43 1ug1 h GLY 7 N -0.38 1.45 1.97 5.77 0.00 0.37 1.49 103.07 113.73 1ug1 h GLY 7 Ca -0.03 -0.21 -0.18 0.00 0.00 0.00 0.00 47.33 46.91 1ug1 h GLY 7 CO 0.05 -0.24 -0.85 0.00 0.00 0.00 0.00 176.54 175.50 1ug1 h ALA 8 N 1.66 0.59 -0.12 3.60 0.00 -0.68 -3.16 119.26 121.16 1ug1 h ALA 8 Ca 0.66 -0.76 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 1ug1 h ALA 8 Cb 1.66 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1ug1 h ALA 8 CO -0.39 1.04 -0.65 0.77 0.00 0.00 0.00 179.25 180.02 1ug1 h SER 9 N 0.01 0.51 -0.80 0.00 0.02 0.34 -2.87 113.55 110.77 1ug1 h SER 9 Ca -0.01 -0.30 0.23 0.00 -0.84 0.00 0.00 61.79 60.86 1ug1 h SER 9 Cb 1.50 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.86 1ug1 h SER 9 CO 0.11 1.02 0.70 -0.07 -1.14 0.00 0.00 176.83 177.45 1ug1 h LEU 10 N 0.32 0.00 -0.59 5.07 3.38 0.31 1.67 115.31 125.47 1ug1 h LEU 10 Ca -0.01 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 1ug1 h LEU 10 Cb 1.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1ug1 h LEU 10 CO 0.11 0.00 -0.37 -0.07 0.09 0.00 0.00 178.44 178.20 1ug1 h LEU 11 N 0.00 0.75 0.19 1.67 4.07 -1.63 0.47 115.31 120.83 1ug1 h LEU 11 Ca 0.38 -0.33 -0.35 0.00 0.08 0.00 0.00 57.88 57.66 1ug1 h LEU 11 Cb 1.78 -0.21 0.01 0.00 1.08 0.00 0.00 40.66 43.32 1ug1 h LEU 11 CO -0.00 1.04 -1.71 0.00 -1.08 0.00 0.00 178.44 176.69 1ug1 h ALA 12 N 0.99 0.13 0.48 1.53 0.00 0.17 -3.38 119.26 119.20 1ug1 h ALA 12 Ca 0.06 -1.11 -0.02 0.00 0.00 0.00 0.00 54.91 53.83 1ug1 h ALA 12 Cb 0.90 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1ug1 h ALA 12 CO 0.08 1.00 -0.23 0.00 0.00 0.00 0.00 179.25 180.10 1ug1 h ARG 13 N 0.11 -0.62 -6.13 0.00 2.47 0.14 -3.44 114.38 106.90 1ug1 h ARG 13 Ca -0.33 0.04 -0.54 0.00 -1.26 0.00 0.00 59.98 57.90 1ug1 h ARG 13 Cb 2.10 0.14 -0.04 0.00 -1.65 0.00 0.00 29.97 30.52 1ug1 h ARG 13 CO 0.19 -0.33 -0.50 0.71 0.56 0.00 0.00 179.97 180.60 1ug1 s TYR 14 N -5.05 3.33 0.90 3.04 1.51 0.16 -5.05 117.35 116.20 1ug1 s TYR 14 Ca -0.15 0.03 -0.12 0.00 -1.01 0.00 0.00 57.07 55.82 1ug1 s TYR 14 Cb 0.02 -1.57 0.13 0.00 -0.11 0.00 0.00 41.96 40.44 1ug1 s TYR 14 CO 0.54 0.51 1.14 -1.25 -1.11 0.00 0.00 175.55 175.37 1ug1 s PRO 15 N -3.35 1.19 0.42 -1.71 0.04 -1.26 -4.33 135.00 126.00 1ug1 s PRO 15 Ca 0.33 0.31 0.23 0.00 0.04 0.00 0.00 61.00 61.91 1ug1 s PRO 15 Cb -0.10 -1.84 0.67 0.00 0.04 0.00 0.00 34.50 33.26 1ug1 s PRO 15 CO 0.26 -2.16 1.72 -1.00 0.04 0.00 0.00 177.00 175.86 1ug1 h PRO 16 N -1.47 0.00 -0.00 0.56 0.13 -1.94 -1.22 132.00 128.06 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 0.62 0.21 -0.03 -0.85 -0.23 0.00 0.00 178.00 177.73 1ug1 n GLU 17 N -3.25 0.76 0.00 0.86 0.28 -1.26 -2.98 120.64 115.04 1ug1 n GLU 17 Ca 0.01 -0.11 0.00 0.00 -0.16 0.00 0.00 57.16 56.91 1ug1 n GLU 17 Cb 0.50 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.88 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 -1.03 0.92 -2.94 3.44 5.02 -1.00 -5.00 118.16 117.57 1ug1 n LYS 18 Ca 0.18 -0.79 -0.43 0.00 -2.02 0.00 0.00 58.31 55.25 1ug1 n LYS 18 Cb 0.21 -0.76 -0.05 0.00 -0.02 0.00 0.00 35.03 34.40 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 4.20 -0.02 -0.35 1.43 -0.49 0.13 118.68 123.22 1ug1 s LEU 19 Ca 0.00 -0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.10 1ug1 s LEU 19 Cb 0.00 -3.01 -0.01 0.00 0.03 0.00 0.00 46.19 43.21 1ug1 s LEU 19 CO 0.00 -0.92 -0.14 -0.36 0.23 0.00 0.00 176.35 175.16 1ug1 s PHE 20 N 3.35 1.32 0.39 0.29 0.08 0.32 -0.10 117.98 123.63 1ug1 s PHE 20 Ca 0.31 -0.31 0.08 0.00 0.12 0.00 0.00 56.93 57.13 1ug1 s PHE 20 Cb -0.12 -0.88 -0.02 0.00 -0.57 0.00 0.00 43.02 41.44 1ug1 s PHE 20 CO 0.23 -0.08 0.40 -1.14 -0.10 0.00 0.00 175.22 174.53 1ug1 s GLN 21 N -0.10 2.67 -0.24 0.44 0.74 0.19 -1.21 119.66 122.16 1ug1 s GLN 21 Ca 0.01 -1.39 -0.26 0.00 0.05 0.00 0.00 55.36 53.77 1ug1 s GLN 21 Cb -0.08 -2.50 -0.00 0.00 1.10 0.00 0.00 33.01 31.53 1ug1 s GLN 21 CO 0.00 -0.13 0.89 0.00 -0.55 0.00 0.00 175.29 175.50 1ug1 s ALA 22 N -2.39 3.66 0.12 1.58 0.00 -0.96 0.04 121.76 123.81 1ug1 s ALA 22 Ca 0.48 -0.04 -0.17 0.00 0.00 0.00 0.00 51.96 52.23 1ug1 s ALA 22 Cb -0.05 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 1ug1 s ALA 22 CO 0.29 -0.95 1.62 0.93 0.00 0.00 0.00 175.76 177.65 1ug1 h GLU 23 N 7.60 0.55 -4.46 0.00 5.08 -0.87 -3.38 114.58 119.10 1ug1 h GLU 23 Ca -0.22 -0.13 -0.23 0.00 -1.00 0.00 0.00 59.36 57.78 1ug1 h GLU 23 Cb 1.09 -0.07 -0.14 0.00 0.50 0.00 0.00 28.75 30.12 1ug1 h GLU 23 CO 0.90 0.59 -0.52 -0.98 -1.00 0.00 0.00 179.01 178.00 1ug1 s ARG 24 N -5.33 1.31 -0.73 2.33 1.70 -1.25 -4.83 118.95 112.14 1ug1 s ARG 24 Ca -0.13 -1.60 -0.26 0.00 -0.47 0.00 0.00 55.73 53.27 1ug1 s ARG 24 Cb 0.09 0.31 -0.11 0.00 -0.57 0.00 0.00 34.95 34.68 1ug1 s ARG 24 CO 0.75 -0.46 2.33 -0.80 -1.08 0.00 0.00 175.30 176.04 1ug1 s ASN 25 N -3.15 4.23 0.26 -2.89 -0.87 -1.26 -3.97 114.94 107.28 1ug1 s ASN 25 Ca 0.36 0.20 -0.30 0.00 -1.57 0.00 0.00 52.86 51.56 1ug1 s ASN 25 Cb 0.05 -2.54 -0.09 0.00 -0.02 0.00 0.00 41.25 38.65 1ug1 s ASN 25 CO 0.13 -3.45 1.15 0.12 -2.57 0.00 0.00 177.10 172.48 1ug1 s PHE 26 N 13.38 3.47 -0.13 2.20 2.19 -0.86 -4.94 117.98 133.28 1ug1 s PHE 26 Ca 0.90 1.58 0.01 0.00 0.33 0.00 0.00 56.93 59.74 1ug1 s PHE 26 Cb -0.13 -3.38 -0.01 0.00 -1.31 0.00 0.00 43.02 38.19 1ug1 s PHE 26 CO 0.11 -0.91 -0.16 -0.80 1.83 0.00 0.00 175.22 175.30 1ug1 s ASN 27 N -0.52 3.72 0.07 6.13 0.01 -1.26 -2.04 114.94 121.05 1ug1 s ASN 27 Ca 0.48 -0.42 -0.33 0.00 -0.71 0.00 0.00 52.86 51.88 1ug1 s ASN 27 Cb -0.33 -1.56 -0.12 0.00 0.41 0.00 0.00 41.25 39.65 1ug1 s ASN 27 CO 0.41 0.14 1.77 0.00 -1.51 0.00 0.00 177.10 177.91 1ug1 n ALA 28 N 3.70 1.50 -0.08 0.60 0.00 -1.26 -4.85 120.51 120.11 1ug1 n ALA 28 Ca -0.19 0.34 -0.11 0.00 0.00 0.00 0.00 53.44 53.49 1ug1 n ALA 28 Cb 0.52 -2.49 -0.08 0.00 0.00 0.00 0.00 19.45 17.41 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 5.28 1.64 -4.01 0.00 0.00 -1.26 -4.97 120.51 117.19 1ug1 n ALA 29 Ca 0.19 -0.74 -0.14 0.00 0.00 0.00 0.00 53.44 52.75 1ug1 n ALA 29 Cb 0.32 0.09 -0.02 0.00 0.00 0.00 0.00 19.45 19.85 1ug1 n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ug1 n GLN 30 N -2.94 1.27 0.20 0.00 10.64 -1.26 -5.01 117.38 120.28 1ug1 n GLN 30 Ca -0.29 -1.67 0.12 0.00 -1.83 0.00 0.00 57.00 53.33 1ug1 n GLN 30 Cb 0.83 0.32 0.15 0.00 -0.86 0.00 0.00 30.24 30.67 1ug1 n GLN 30 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.06 175.45 1ug1 h ASP 31 N 0.44 0.00 0.55 2.61 3.58 -2.00 -2.98 116.42 118.62 1ug1 h ASP 31 Ca -0.18 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.27 1ug1 h ASP 31 Cb 0.59 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.64 1ug1 h ASP 31 CO 0.29 0.02 -0.40 0.18 -2.88 0.00 0.00 179.24 176.45 1ug1 n LEU 32 N -3.06 0.46 -4.94 2.28 4.77 -1.26 -4.87 117.00 110.38 1ug1 n LEU 32 Ca 0.03 0.05 -0.24 0.00 -0.03 0.00 0.00 56.01 55.83 1ug1 n LEU 32 Cb 0.54 -0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 1ug1 n LEU 32 CO 0.35 0.11 0.21 -1.81 -1.33 0.00 0.00 177.39 174.92 1ug1 s ASP 33 N -2.95 6.23 -0.14 -1.43 1.11 -1.13 0.16 116.67 118.52 1ug1 s ASP 33 Ca 0.13 0.47 -0.11 0.00 0.18 0.00 0.00 52.55 53.22 1ug1 s ASP 33 Cb 0.18 -1.98 0.04 0.00 1.07 0.00 0.00 42.92 42.23 1ug1 s ASP 33 CO 0.66 -0.37 0.36 0.68 1.18 0.00 0.00 175.17 177.68 1ug1 s VAL 34 N -2.38 -0.01 0.38 -1.27 -7.23 -1.26 -4.79 120.40 103.84 1ug1 s VAL 34 Ca 0.42 0.05 -0.25 0.00 -1.81 0.00 0.00 61.98 60.38 1ug1 s VAL 34 Cb -0.10 -0.53 -0.12 0.00 0.56 0.00 0.00 36.38 36.20 1ug1 s VAL 34 CO 0.37 0.02 1.01 -1.54 -0.31 0.00 0.00 175.10 174.65 1ug1 n SER 35 N 3.51 1.29 -3.90 4.85 3.41 -1.26 -4.53 113.62 117.00 1ug1 n SER 35 Ca -0.18 1.08 -0.10 0.00 -0.26 0.00 0.00 58.87 59.40 1ug1 n SER 35 Cb 0.56 -1.34 -0.10 0.00 -0.26 0.00 0.00 64.21 63.08 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 -0.23 1.67 -0.13 1.04 1.43 -0.86 -4.97 118.68 116.62 1ug1 s LEU 36 Ca 0.61 -0.36 -0.07 0.00 -1.03 0.00 0.00 54.13 53.28 1ug1 s LEU 36 Cb -0.59 0.64 -0.04 0.00 0.03 0.00 0.00 46.19 46.23 1ug1 s LEU 36 CO 0.58 -0.44 0.14 -0.76 0.23 0.00 0.00 176.35 176.10 1ug1 s LEU 37 N -1.73 4.35 0.65 1.79 1.43 -1.26 -2.03 118.68 121.87 1ug1 s LEU 37 Ca -0.10 0.44 0.21 0.00 -1.03 0.00 0.00 54.13 53.65 1ug1 s LEU 37 Cb -0.05 -2.07 1.10 0.00 0.03 0.00 0.00 46.19 45.21 1ug1 s LEU 37 CO -0.01 0.39 1.61 1.05 0.23 0.00 0.00 176.35 179.61 1ug1 h GLU 38 N 5.16 0.00 0.00 1.70 4.11 -1.75 1.61 114.58 125.41 1ug1 h GLU 38 Ca -0.53 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 58.73 1ug1 h GLU 38 Cb 1.22 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 1ug1 h GLU 38 CO 0.60 0.00 -1.87 0.41 0.07 0.00 0.00 179.01 178.21 1ug1 n GLY 39 N -1.39 -1.09 3.66 1.06 0.00 -1.26 -4.00 105.19 102.17 1ug1 n GLY 39 Ca 0.02 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.64 2.35 -4.73 1.61 8.00 0.55 -4.79 116.55 116.90 1ug1 n ASP 40 Ca -0.15 1.19 -0.28 0.00 0.71 0.00 0.00 54.79 56.27 1ug1 n ASP 40 Cb 0.84 -1.42 -0.07 0.00 -0.02 0.00 0.00 41.12 40.45 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 -0.44 3.58 0.17 0.64 1.98 -1.26 -2.26 118.68 121.09 1ug1 s LEU 41 Ca 0.58 -0.20 -0.15 0.00 -2.89 0.00 0.00 54.13 51.47 1ug1 s LEU 41 Cb -0.62 -2.24 0.02 0.00 0.66 0.00 0.00 46.19 44.01 1ug1 s LEU 41 CO 0.60 0.11 0.44 0.68 -1.89 0.00 0.00 176.35 176.29 1ug1 s VAL 42 N -1.60 0.05 -0.26 1.68 -7.23 -0.35 -4.75 120.40 107.94 1ug1 s VAL 42 Ca 0.29 -0.84 0.02 0.00 -1.81 0.00 0.00 61.98 59.64 1ug1 s VAL 42 Cb -0.10 -1.50 0.07 0.00 0.56 0.00 0.00 36.38 35.40 1ug1 s VAL 42 CO 0.21 -0.22 -0.06 -0.83 -0.31 0.00 0.00 175.10 173.89 1ug1 s GLY 43 N -2.87 1.50 0.04 2.32 0.00 -1.25 -0.52 107.32 106.54 1ug1 s GLY 43 Ca 0.09 -1.67 -0.38 0.00 0.00 0.00 0.00 44.72 42.76 1ug1 s GLY 43 CO -0.05 0.83 0.97 -0.62 0.00 0.00 0.00 173.10 174.23 1ug1 n VAL 44 N 4.53 0.36 0.01 1.40 0.31 0.35 -4.05 118.33 121.24 1ug1 n VAL 44 Ca -0.11 -0.09 -0.03 0.00 -0.01 0.00 0.00 64.34 64.11 1ug1 n VAL 44 Cb 0.43 -0.01 -0.01 0.00 -0.91 0.00 0.00 33.84 33.34 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 1.24 1.04 -4.63 2.52 5.41 0.31 -4.89 119.36 120.36 1ug1 n ILE 45 Ca 0.20 0.25 -0.33 0.00 1.00 0.00 0.00 62.75 63.86 1ug1 n ILE 45 Cb 0.11 -1.70 -0.14 0.00 -0.71 0.00 0.00 39.64 37.20 1ug1 n ILE 45 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1ug1 s LYS 46 N -2.16 3.36 -0.16 0.38 2.20 -0.48 -4.95 119.74 117.94 1ug1 s LYS 46 Ca -0.06 -0.69 0.07 0.00 -0.36 0.00 0.00 55.97 54.93 1ug1 s LYS 46 Cb 0.01 -2.68 0.45 0.00 -1.51 0.00 0.00 37.83 34.11 1ug1 s LYS 46 CO 0.09 0.14 1.27 1.63 -0.36 0.00 0.00 175.35 178.12 1ug1 n LYS 47 N 3.75 2.95 -3.60 4.03 5.02 -1.26 0.79 118.16 129.84 1ug1 n LYS 47 Ca -0.18 -1.78 -0.03 0.00 -2.02 0.00 0.00 58.31 54.29 1ug1 n LYS 47 Cb 0.52 -1.89 -0.02 0.00 -0.02 0.00 0.00 35.03 33.63 1ug1 n LYS 47 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1ug1 s LYS 48 N -1.98 0.32 0.39 1.97 -2.85 -1.23 -4.70 119.74 111.66 1ug1 s LYS 48 Ca 0.31 -0.13 -0.03 0.00 -1.00 0.00 0.00 55.97 55.12 1ug1 s LYS 48 Cb 0.24 0.14 -0.04 0.00 -2.06 0.00 0.00 37.83 36.12 1ug1 s LYS 48 CO 0.09 -0.14 0.65 -0.51 0.10 0.00 0.00 175.35 175.53 1ug1 s ASP 49 N -2.32 6.32 -1.19 0.03 1.01 0.28 -4.55 116.67 116.25 1ug1 s ASP 49 Ca 0.10 0.71 -0.11 0.00 0.71 0.00 0.00 52.55 53.97 1ug1 s ASP 49 Cb -0.00 -2.15 -0.07 0.00 1.01 0.00 0.00 42.92 41.72 1ug1 s ASP 49 CO -0.04 -0.38 2.37 -0.81 0.21 0.00 0.00 175.17 176.51 1ug1 n PRO 50 N -1.76 2.61 0.00 8.23 -0.04 -1.26 -2.85 135.00 139.92 1ug1 n PRO 50 Ca -0.02 -1.90 0.00 0.00 -0.04 0.00 0.00 63.50 61.54 1ug1 n PRO 50 Cb 0.55 -2.74 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 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 4.67 0.00 0.00 0.54 2.81 -1.26 -5.02 117.12 118.86 1ug1 n MET 51 Ca 0.57 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.46 1ug1 n MET 51 Cb 0.24 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.75 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 -1.27 0.50 3.60 3.03 0.00 -1.13 -5.10 105.19 104.82 1ug1 n GLY 52 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1ug1 n GLY 52 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ug1 s SER 53 N 0.00 6.02 -0.03 1.61 0.01 -1.26 -4.81 113.70 115.24 1ug1 s SER 53 Ca 0.00 1.32 0.19 0.00 1.31 0.00 0.00 55.95 58.78 1ug1 s SER 53 Cb 0.00 -2.53 -0.22 0.00 0.21 0.00 0.00 66.02 63.48 1ug1 s SER 53 CO 0.00 -1.60 0.53 0.00 0.41 0.00 0.00 173.24 172.58 1ug1 n GLN 54 N 8.26 0.65 -0.21 12.44 0.00 -1.26 0.99 117.38 138.25 1ug1 n GLN 54 Ca 0.22 0.02 0.26 0.00 0.00 0.00 0.00 57.00 57.49 1ug1 n GLN 54 Cb 0.46 -1.64 0.65 0.00 0.00 0.00 0.00 30.24 29.71 1ug1 n GLN 54 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.06 176.09 1ug1 h ASN 55 N 0.00 0.15 -3.25 2.61 -0.73 -1.87 -3.38 115.58 109.11 1ug1 h ASN 55 Ca -0.20 0.02 -0.63 0.00 1.87 0.00 0.00 56.30 57.36 1ug1 h ASN 55 Cb 1.54 -0.01 -0.16 0.00 0.27 0.00 0.00 38.32 39.96 1ug1 h ASN 55 CO 0.02 0.05 -0.58 -0.60 -0.37 0.00 0.00 177.43 175.96 1ug1 s ARG 56 N -5.14 3.79 0.27 6.67 3.52 -1.26 -4.10 118.95 122.70 1ug1 s ARG 56 Ca -0.06 -0.36 0.09 0.00 -0.13 0.00 0.00 55.73 55.27 1ug1 s ARG 56 Cb 0.22 -3.13 -0.04 0.00 -1.56 0.00 0.00 34.95 30.44 1ug1 s ARG 56 CO 0.78 0.35 0.01 -1.58 -0.81 0.00 0.00 175.30 174.05 1ug1 s TRP 57 N 0.13 2.71 -0.15 5.12 0.51 -0.81 -3.20 118.94 123.25 1ug1 s TRP 57 Ca 0.04 -0.23 -0.04 0.00 -2.12 0.00 0.00 56.10 53.75 1ug1 s TRP 57 Cb -0.12 -1.23 -0.03 0.00 -0.81 0.00 0.00 33.47 31.28 1ug1 s TRP 57 CO 0.01 0.60 -0.01 -1.17 -0.51 0.00 0.00 176.95 175.87 1ug1 s LEU 58 N -3.69 3.42 0.17 2.99 1.98 0.24 -0.88 118.68 122.91 1ug1 s LEU 58 Ca 0.32 -0.05 0.04 0.00 -2.89 0.00 0.00 54.13 51.56 1ug1 s LEU 58 Cb -0.06 -1.83 -0.05 0.00 0.66 0.00 0.00 46.19 44.91 1ug1 s LEU 58 CO 0.20 0.20 -0.08 0.27 -1.89 0.00 0.00 176.35 175.06 1ug1 s ILE 59 N 0.19 1.14 -0.12 6.68 -5.25 0.93 -0.53 121.20 124.23 1ug1 s ILE 59 Ca -0.00 -2.06 0.02 0.00 -0.99 0.00 0.00 60.65 57.62 1ug1 s ILE 59 Cb -0.13 -1.98 -0.01 0.00 2.95 0.00 0.00 42.46 43.29 1ug1 s ILE 59 CO 0.02 -0.63 -0.18 -0.62 -1.79 0.00 0.00 174.94 171.74 1ug1 s ASP 60 N -3.20 3.57 -0.36 4.36 -1.08 -1.26 -0.52 116.67 118.18 1ug1 s ASP 60 Ca 0.20 -0.44 0.01 0.00 -0.52 0.00 0.00 52.55 51.80 1ug1 s ASP 60 Cb 0.03 -1.52 0.39 0.00 -1.46 0.00 0.00 42.92 40.37 1ug1 s ASP 60 CO 0.03 0.16 1.78 -0.46 0.52 0.00 0.00 175.17 177.19 1ug1 n ASN 61 N 3.56 4.84 -1.40 -0.34 6.94 -1.05 -3.80 115.26 124.02 1ug1 n ASN 61 Ca -0.19 -3.19 -0.17 0.00 -0.02 0.00 0.00 54.58 51.02 1ug1 n ASN 61 Cb 0.53 -0.85 -0.07 0.00 -2.36 0.00 0.00 39.78 37.03 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 -0.43 1.59 1.99 4.83 0.00 -1.26 -4.55 105.19 107.36 1ug1 n GLY 62 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -2.17 0.00 -3.88 1.61 0.31 -1.26 -5.05 118.33 107.89 1ug1 n VAL 63 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1ug1 n VAL 63 Cb 0.59 -0.51 0.00 0.00 -0.91 0.00 0.00 33.84 33.01 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 -2.91 0.00 -3.91 2.52 5.66 -1.26 -5.14 114.28 109.24 1ug1 n THR 64 Ca 0.00 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.65 1ug1 n THR 64 Cb 0.00 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 68.65 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 -1.94 3.48 0.04 1.09 1.02 -1.26 -2.51 119.74 119.65 1ug1 s LYS 65 Ca 0.00 -0.57 0.06 0.00 0.02 0.00 0.00 55.97 55.47 1ug1 s LYS 65 Cb 0.00 -3.09 -0.02 0.00 -0.52 0.00 0.00 37.83 34.20 1ug1 s LYS 65 CO 0.00 -0.16 -0.16 0.20 -0.92 0.00 0.00 175.35 174.31 1ug1 s GLY 66 N 1.42 0.90 -0.22 -3.33 0.00 0.32 -4.80 107.32 101.61 1ug1 s GLY 66 Ca 0.05 -0.89 -0.08 0.00 0.00 0.00 0.00 44.72 43.80 1ug1 s GLY 66 CO -0.01 -0.84 0.09 -1.36 0.00 0.00 0.00 173.10 170.99 1ug1 s PHE 67 N -0.78 3.23 0.02 1.90 0.40 0.43 -0.05 117.98 123.13 1ug1 s PHE 67 Ca 0.04 0.01 -0.03 0.00 -0.60 0.00 0.00 56.93 56.34 1ug1 s PHE 67 Cb -0.08 -2.18 -0.01 0.00 0.51 0.00 0.00 43.02 41.26 1ug1 s PHE 67 CO 0.01 0.00 0.05 0.14 0.70 0.00 0.00 175.22 176.12 1ug1 s VAL 68 N 0.88 0.11 -0.06 -0.44 -7.23 -0.05 -4.33 120.40 109.28 1ug1 s VAL 68 Ca 0.05 -0.92 -0.30 0.00 -1.81 0.00 0.00 61.98 59.00 1ug1 s VAL 68 Cb -0.13 -0.50 -0.03 0.00 0.56 0.00 0.00 36.38 36.28 1ug1 s VAL 68 CO 0.03 -0.51 1.11 -0.31 -0.31 0.00 0.00 175.10 175.11 1ug1 s TYR 69 N -1.77 3.36 0.51 2.82 2.02 -1.26 -1.92 117.35 121.11 1ug1 s TYR 69 Ca -0.12 1.40 0.46 0.00 -0.37 0.00 0.00 57.07 58.44 1ug1 s TYR 69 Cb -0.07 -3.31 1.62 0.00 -0.40 0.00 0.00 41.96 39.80 1ug1 s TYR 69 CO -0.01 -0.80 1.48 -1.13 -1.57 0.00 0.00 175.55 173.51 1ug1 n SER 70 N 4.95 0.02 0.11 2.29 3.41 -1.26 0.13 113.62 123.27 1ug1 n SER 70 Ca 0.10 0.98 -0.13 0.00 -0.26 0.00 0.00 58.87 59.56 1ug1 n SER 70 Cb 0.47 -0.49 -0.06 0.00 -0.26 0.00 0.00 64.21 63.88 1ug1 n SER 70 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1ug1 h SER 71 N 0.00 -0.82 0.29 4.04 0.02 -1.89 0.17 113.55 115.35 1ug1 h SER 71 Ca 0.89 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.93 1ug1 h SER 71 Cb 3.49 0.32 0.00 0.00 0.14 0.00 0.00 62.40 66.34 1ug1 h SER 71 CO -0.06 -0.37 0.00 0.49 -1.14 0.00 0.00 176.83 175.75 1ug1 n PHE 72 N -5.40 0.00 -4.16 3.45 3.01 0.34 -4.66 117.46 110.04 1ug1 n PHE 72 Ca -0.06 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.17 1ug1 n PHE 72 Cb 0.31 -0.38 -0.05 0.00 -0.01 0.00 0.00 39.48 39.34 1ug1 n PHE 72 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1ug1 s LEU 73 N -2.77 3.66 0.04 4.37 1.43 0.59 -0.29 118.68 125.71 1ug1 s LEU 73 Ca 0.08 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 52.86 1ug1 s LEU 73 Cb 0.07 -2.20 -0.02 0.00 0.03 0.00 0.00 46.19 44.07 1ug1 s LEU 73 CO 0.18 -0.02 -0.07 -1.59 0.23 0.00 0.00 176.35 175.08 1ug1 s LYS 74 N -3.74 0.49 -0.51 1.70 0.00 0.11 -4.72 119.74 113.07 1ug1 s LYS 74 Ca 0.32 -0.73 -0.28 0.00 0.00 0.00 0.00 55.97 55.28 1ug1 s LYS 74 Cb -0.08 -0.23 0.01 0.00 0.00 0.00 0.00 37.83 37.53 1ug1 s LYS 74 CO 0.24 0.04 1.47 -1.25 0.00 0.00 0.00 175.35 175.84 1ug1 s PRO 75 N -1.54 3.32 1.21 1.78 0.04 -1.26 0.53 135.00 139.08 1ug1 s PRO 75 Ca -0.11 0.64 -0.18 0.00 0.04 0.00 0.00 61.00 61.40 1ug1 s PRO 75 Cb -0.10 -4.12 0.29 0.00 0.04 0.00 0.00 34.50 30.60 1ug1 s PRO 75 CO 0.00 -1.90 1.06 -0.47 0.04 0.00 0.00 177.00 175.73 1ug1 s TYR 76 N 6.17 0.70 -0.27 0.56 5.04 0.85 -4.88 117.35 125.52 1ug1 s TYR 76 Ca 0.57 0.69 -0.01 0.00 -2.44 0.00 0.00 57.07 55.89 1ug1 s TYR 76 Cb -0.12 -3.25 0.14 0.00 0.35 0.00 0.00 41.96 39.07 1ug1 s TYR 76 CO 0.27 -3.93 0.35 -0.80 -1.34 0.00 0.00 175.55 170.10 1ug1 s ASN 77 N -3.47 0.79 0.00 4.32 -0.87 -1.26 -4.90 114.94 109.54 1ug1 s ASN 77 Ca 0.69 -0.28 0.15 0.00 -1.57 0.00 0.00 52.86 51.85 1ug1 s ASN 77 Cb -0.14 0.88 0.90 0.00 -0.02 0.00 0.00 41.25 42.87 1ug1 s ASN 77 CO 0.58 -0.34 1.41 -0.81 -2.57 0.00 0.00 177.10 175.37 1ug1 n PRO 78 N 5.34 0.75 -3.83 -0.60 -0.04 -1.26 -4.33 135.00 131.04 1ug1 n PRO 78 Ca -0.02 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.10 1ug1 n PRO 78 Cb 0.49 -1.31 -0.12 0.00 -0.04 0.00 0.00 33.50 32.52 1ug1 n PRO 78 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1ug1 s ARG 79 N -2.00 2.20 -0.07 0.54 6.06 -1.26 -4.75 118.95 119.67 1ug1 s ARG 79 Ca 0.23 -2.39 0.03 0.00 -2.50 0.00 0.00 55.73 51.09 1ug1 s ARG 79 Cb 0.10 -3.54 0.08 0.00 0.06 0.00 0.00 34.95 31.66 1ug1 s ARG 79 CO 0.17 -1.12 0.78 2.89 -2.50 0.00 0.00 175.30 175.53 1ug1 n ARG 80 N 3.61 0.28 -3.83 5.12 1.85 -1.26 -5.15 116.66 117.28 1ug1 n ARG 80 Ca 0.05 -0.65 -0.07 0.00 -1.00 0.00 0.00 57.85 56.19 1ug1 n ARG 80 Cb 0.37 0.42 -0.00 0.00 -1.05 0.00 0.00 32.46 32.20 1ug1 n ARG 80 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1ug1 s SER 81 N -0.63 -0.16 -0.04 2.89 1.04 -1.26 -5.14 113.70 110.40 1ug1 s SER 81 Ca 0.02 -0.73 -0.28 0.00 0.48 0.00 0.00 55.95 55.43 1ug1 s SER 81 Cb 0.09 0.71 -0.03 0.00 0.10 0.00 0.00 66.02 66.90 1ug1 s SER 81 CO -0.03 -1.36 0.92 -1.00 0.98 0.00 0.00 173.24 172.76 1ug1 s HIS 82 N -3.27 3.61 1.02 5.02 3.76 -1.26 -5.01 115.29 119.16 1ug1 s HIS 82 Ca 0.13 1.57 -0.18 0.00 -0.15 0.00 0.00 55.06 56.43 1ug1 s HIS 82 Cb -0.05 -3.06 -0.02 0.00 1.11 0.00 0.00 32.58 30.56 1ug1 s HIS 82 CO 0.07 -0.03 -0.29 -1.13 -0.85 0.00 0.00 174.74 172.52 1ug1 n SER 83 N 4.10 -3.16 -1.94 1.40 3.41 -1.26 -4.63 113.62 111.54 1ug1 n SER 83 Ca 0.05 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1ug1 n SER 83 Cb 0.51 -0.93 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 1ug1 n SER 83 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1ug1 n ASP 84 N 0.38 -8.70 -3.69 4.04 8.00 -1.26 -5.08 116.55 110.24 1ug1 n ASP 84 Ca 0.02 1.30 -0.12 0.00 0.71 0.00 0.00 54.79 56.70 1ug1 n ASP 84 Cb 0.60 -4.83 -0.05 0.00 -0.02 0.00 0.00 41.12 36.82 1ug1 n ASP 84 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ug1 s ALA 85 N -0.81 0.36 0.56 2.24 0.00 -1.26 -5.16 121.76 117.69 1ug1 s ALA 85 Ca 0.00 -1.25 -0.18 0.00 0.00 0.00 0.00 51.96 50.53 1ug1 s ALA 85 Cb 0.00 1.14 -0.05 0.00 0.00 0.00 0.00 23.12 24.21 1ug1 s ALA 85 CO 0.00 -0.79 1.07 -1.12 0.00 0.00 0.00 175.76 174.92 1ug1 s SER 86 N -3.13 5.87 0.22 0.00 0.01 -1.26 -4.85 113.70 110.55 1ug1 s SER 86 Ca 0.28 1.95 0.00 0.00 1.31 0.00 0.00 55.95 59.49 1ug1 s SER 86 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1ug1 s SER 86 CO 0.14 -1.11 0.00 -0.24 0.41 0.00 0.00 173.24 172.44 1ug1 n SER 87 N -1.59 -1.96 -0.21 2.44 2.88 -1.26 -5.00 113.62 108.92 1ug1 n SER 87 Ca 0.10 0.63 -0.06 0.00 -1.33 0.00 0.00 58.87 58.21 1ug1 n SER 87 Cb 0.52 2.05 -0.05 0.00 -0.75 0.00 0.00 64.21 65.98 1ug1 n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ug1 n GLY 88 N -1.25 -2.65 3.80 0.46 0.00 -1.26 -4.41 105.19 99.88 1ug1 n GLY 88 Ca 0.00 0.85 -0.34 0.00 0.00 0.00 0.00 46.02 46.54 1ug1 n GLY 88 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ug1 s PRO 89 N -4.35 3.78 -0.04 1.61 0.04 -1.26 -5.06 135.00 129.72 1ug1 s PRO 89 Ca -0.06 1.35 -0.00 0.00 0.04 0.00 0.00 61.00 62.33 1ug1 s PRO 89 Cb 0.06 -2.09 0.03 0.00 0.04 0.00 0.00 34.50 32.53 1ug1 s PRO 89 CO 0.32 -0.45 -0.00 -1.54 0.04 0.00 0.00 177.00 175.36 1ug1 s SER 90 N -2.03 0.80 0.00 6.66 1.04 -1.26 -4.92 113.70 113.99 1ug1 s SER 90 Ca 0.67 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 57.05 1ug1 s SER 90 Cb -0.16 -0.30 0.00 0.00 0.10 0.00 0.00 66.02 65.66 1ug1 s SER 90 CO 0.21 -0.12 0.00 -1.20 0.98 0.00 0.00 173.24 173.11 1ug1 n SER 91 N 4.42 0.00 0.00 7.02 7.64 -1.26 -5.22 113.62 126.21 1ug1 n SER 91 Ca -0.20 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.77 1ug1 n SER 91 Cb 0.50 0.00 0.53 0.00 -1.01 0.00 0.00 64.21 64.24 1ug1 n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64