#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 -6.05 -0.05 1.61 7.64 -1.26 -4.70 113.62 110.82 1ug1 n SER 2 Ca 0.00 0.56 -0.00 0.00 1.01 0.00 0.00 58.87 60.43 1ug1 n SER 2 Cb 0.00 -3.96 -0.00 0.00 -1.01 0.00 0.00 64.21 59.23 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 1.57 0.00 -0.08 6.43 0.02 -1.99 -3.28 113.55 116.22 1ug1 h SER 3 Ca 0.00 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.78 1ug1 h SER 3 Cb 0.46 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 1ug1 h SER 3 CO 0.11 0.47 -0.57 1.23 -1.14 0.00 0.00 176.83 176.94 1ug1 h GLY 4 N -0.89 0.74 -0.10 -3.77 0.00 -1.94 -3.08 103.07 94.02 1ug1 h GLY 4 Ca 0.00 -0.87 0.23 0.00 0.00 0.00 0.00 47.33 46.69 1ug1 h GLY 4 CO 0.00 0.78 0.56 0.23 0.00 0.00 0.00 176.54 178.11 1ug1 h SER 5 N 0.51 0.63 -0.51 0.19 0.87 -1.96 0.57 113.55 113.85 1ug1 h SER 5 Ca 0.01 0.13 -0.09 0.00 -1.23 0.00 0.00 61.79 60.61 1ug1 h SER 5 Cb 1.14 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 63.12 1ug1 h SER 5 CO 0.11 0.11 0.00 0.77 -0.53 0.00 0.00 176.83 177.30 1ug1 h SER 6 N 0.58 0.92 -0.46 6.23 4.64 -1.60 -2.29 113.55 121.57 1ug1 h SER 6 Ca 0.62 -0.24 0.13 0.00 -0.47 0.00 0.00 61.79 61.83 1ug1 h SER 6 Cb 1.13 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.96 1ug1 h SER 6 CO -0.47 0.97 0.68 1.23 -0.87 0.00 0.00 176.83 178.38 1ug1 h GLY 7 N 1.00 0.00 0.70 -0.77 0.00 0.16 1.56 103.07 105.71 1ug1 h GLY 7 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.15 1ug1 h GLY 7 CO 0.03 0.00 -1.93 0.00 0.00 0.00 0.00 176.54 174.64 1ug1 n ALA 8 N -2.15 1.08 -0.04 3.60 0.00 -0.88 -4.15 120.51 117.97 1ug1 n ALA 8 Ca 0.09 -0.66 -0.14 0.00 0.00 0.00 0.00 53.44 52.73 1ug1 n ALA 8 Cb 0.85 -0.72 -0.08 0.00 0.00 0.00 0.00 19.45 19.50 1ug1 n ALA 8 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1ug1 h SER 9 N 0.05 0.40 -1.03 0.00 0.02 0.93 -2.92 113.55 110.99 1ug1 h SER 9 Ca -0.39 -0.57 0.30 0.00 -0.84 0.00 0.00 61.79 60.29 1ug1 h SER 9 Cb 2.03 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 64.41 1ug1 h SER 9 CO 0.08 0.90 0.98 -0.07 -1.14 0.00 0.00 176.83 177.58 1ug1 h LEU 10 N -0.08 0.00 -0.18 5.07 4.07 0.16 1.97 115.31 126.31 1ug1 h LEU 10 Ca -0.00 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.90 1ug1 h LEU 10 Cb 0.84 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.58 1ug1 h LEU 10 CO 0.05 0.00 -0.13 -0.07 -1.08 0.00 0.00 178.44 177.22 1ug1 h LEU 11 N 0.00 0.42 0.05 1.67 3.38 -1.67 0.11 115.31 119.26 1ug1 h LEU 11 Ca 0.49 -0.45 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 1ug1 h LEU 11 Cb 2.44 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 43.08 1ug1 h LEU 11 CO -0.01 0.77 -0.44 0.00 0.09 0.00 0.00 178.44 178.86 1ug1 h ALA 12 N 0.65 0.01 0.14 1.53 0.00 0.22 -3.37 119.26 118.45 1ug1 h ALA 12 Ca 0.03 -0.66 0.02 0.00 0.00 0.00 0.00 54.91 54.30 1ug1 h ALA 12 Cb 0.64 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1ug1 h ALA 12 CO 0.03 0.23 -0.35 0.00 0.00 0.00 0.00 179.25 179.16 1ug1 h ARG 13 N -0.78 -0.57 -6.26 0.00 3.08 0.21 -3.43 114.38 106.63 1ug1 h ARG 13 Ca -0.09 0.04 -0.57 0.00 0.07 0.00 0.00 59.98 59.42 1ug1 h ARG 13 Cb 1.26 0.13 -0.09 0.00 0.08 0.00 0.00 29.97 31.35 1ug1 h ARG 13 CO 0.02 -0.38 -0.61 0.71 -1.07 0.00 0.00 179.97 178.64 1ug1 s TYR 14 N -5.98 2.94 0.97 3.04 2.02 0.37 -5.03 117.35 115.67 1ug1 s TYR 14 Ca -0.16 -0.12 -0.14 0.00 -0.37 0.00 0.00 57.07 56.28 1ug1 s TYR 14 Cb 0.08 -1.39 0.17 0.00 -0.40 0.00 0.00 41.96 40.43 1ug1 s TYR 14 CO 0.64 0.53 1.17 -1.25 -1.57 0.00 0.00 175.55 175.07 1ug1 s PRO 15 N -3.23 0.65 0.19 -1.71 0.04 -1.26 -4.19 135.00 125.49 1ug1 s PRO 15 Ca 0.30 0.10 0.04 0.00 0.04 0.00 0.00 61.00 61.48 1ug1 s PRO 15 Cb -0.09 -1.80 0.08 0.00 0.04 0.00 0.00 34.50 32.74 1ug1 s PRO 15 CO 0.21 -2.49 1.44 -1.00 0.04 0.00 0.00 177.00 175.20 1ug1 h PRO 16 N -1.71 0.16 0.00 0.56 0.13 -1.92 -2.10 132.00 127.13 1ug1 h PRO 16 Ca -0.48 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 1ug1 h PRO 16 Cb 1.31 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1ug1 h PRO 16 CO 0.53 0.87 0.00 -0.85 -0.23 0.00 0.00 178.00 178.32 1ug1 n GLU 17 N -3.70 0.35 -0.16 0.86 0.28 -1.26 -1.92 120.64 115.09 1ug1 n GLU 17 Ca -0.03 0.08 0.03 0.00 -0.16 0.00 0.00 57.16 57.09 1ug1 n GLU 17 Cb 0.75 -1.50 0.04 0.00 1.43 0.00 0.00 31.44 32.16 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 -1.22 1.05 -3.24 3.44 5.02 -1.07 -5.00 118.16 117.13 1ug1 n LYS 18 Ca 0.10 -1.51 -0.43 0.00 -2.02 0.00 0.00 58.31 54.46 1ug1 n LYS 18 Cb 0.13 -0.92 -0.08 0.00 -0.02 0.00 0.00 35.03 34.14 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 -1.12 4.66 0.01 -0.35 1.43 -0.81 -1.08 118.68 121.41 1ug1 s LEU 19 Ca 0.10 -0.47 0.05 0.00 -1.03 0.00 0.00 54.13 52.78 1ug1 s LEU 19 Cb 0.09 -2.53 -0.01 0.00 0.03 0.00 0.00 46.19 43.77 1ug1 s LEU 19 CO 0.01 -0.63 -0.14 -0.36 0.23 0.00 0.00 176.35 175.46 1ug1 s PHE 20 N 2.40 1.26 0.36 0.29 0.40 -0.25 -1.45 117.98 120.98 1ug1 s PHE 20 Ca 0.16 -0.27 0.07 0.00 -0.60 0.00 0.00 56.93 56.29 1ug1 s PHE 20 Cb -0.16 -0.79 -0.02 0.00 0.51 0.00 0.00 43.02 42.56 1ug1 s PHE 20 CO 0.15 -0.00 0.37 -1.14 0.70 0.00 0.00 175.22 175.31 1ug1 s GLN 21 N -0.59 2.80 -0.49 0.44 0.74 0.53 0.28 119.66 123.37 1ug1 s GLN 21 Ca 0.04 -1.26 -0.26 0.00 0.05 0.00 0.00 55.36 53.93 1ug1 s GLN 21 Cb -0.06 -2.57 0.03 0.00 1.10 0.00 0.00 33.01 31.51 1ug1 s GLN 21 CO 0.00 0.01 1.01 0.00 -0.55 0.00 0.00 175.29 175.77 1ug1 s ALA 22 N -2.30 3.17 0.27 1.58 0.00 -0.63 -0.68 121.76 123.18 1ug1 s ALA 22 Ca 0.44 -0.79 -0.01 0.00 0.00 0.00 0.00 51.96 51.60 1ug1 s ALA 22 Cb -0.07 -3.77 0.46 0.00 0.00 0.00 0.00 23.12 19.74 1ug1 s ALA 22 CO 0.28 -2.24 1.85 1.49 0.00 0.00 0.00 175.76 177.15 1ug1 h GLU 23 N 9.21 1.02 -3.79 0.00 4.81 -1.22 -3.39 114.58 121.23 1ug1 h GLU 23 Ca -0.24 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 58.84 1ug1 h GLU 23 Cb 1.07 -0.23 -0.10 0.00 0.63 0.00 0.00 28.75 30.12 1ug1 h GLU 23 CO 1.08 0.68 -0.19 -0.98 -0.73 0.00 0.00 179.01 178.86 1ug1 s ARG 24 N -6.01 1.49 -0.19 1.92 1.70 -1.25 -4.90 118.95 111.71 1ug1 s ARG 24 Ca -0.12 -1.30 -0.28 0.00 -0.47 0.00 0.00 55.73 53.55 1ug1 s ARG 24 Cb 0.21 0.44 -0.05 0.00 -0.57 0.00 0.00 34.95 34.98 1ug1 s ARG 24 CO 0.81 -0.60 2.10 -0.80 -1.08 0.00 0.00 175.30 175.73 1ug1 s ASN 25 N -3.04 5.71 -0.12 -2.89 0.01 -1.26 -3.87 114.94 109.48 1ug1 s ASN 25 Ca 0.25 1.94 -0.18 0.00 -0.71 0.00 0.00 52.86 54.15 1ug1 s ASN 25 Cb 0.01 -2.52 -0.04 0.00 0.41 0.00 0.00 41.25 39.11 1ug1 s ASN 25 CO 0.09 -1.75 0.47 0.12 -1.51 0.00 0.00 177.10 174.52 1ug1 s PHE 26 N 7.38 3.51 -0.28 2.20 2.19 -1.22 -4.92 117.98 126.83 1ug1 s PHE 26 Ca 0.95 0.87 -0.06 0.00 0.33 0.00 0.00 56.93 59.01 1ug1 s PHE 26 Cb -0.33 -2.55 0.00 0.00 -1.31 0.00 0.00 43.02 38.84 1ug1 s PHE 26 CO 0.36 0.16 0.06 -0.80 1.83 0.00 0.00 175.22 176.83 1ug1 s ASN 27 N 0.63 5.03 -0.02 6.13 0.01 -1.26 -2.14 114.94 123.32 1ug1 s ASN 27 Ca 0.25 -0.59 -0.37 0.00 -0.71 0.00 0.00 52.86 51.45 1ug1 s ASN 27 Cb -0.15 -1.87 -0.15 0.00 0.41 0.00 0.00 41.25 39.49 1ug1 s ASN 27 CO 0.10 -0.14 1.59 0.00 -1.51 0.00 0.00 177.10 177.13 1ug1 n ALA 28 N 4.87 0.06 -0.08 0.60 0.00 -1.26 -4.84 120.51 119.85 1ug1 n ALA 28 Ca -0.15 0.43 -0.10 0.00 0.00 0.00 0.00 53.44 53.61 1ug1 n ALA 28 Cb 0.49 -2.25 -0.09 0.00 0.00 0.00 0.00 19.45 17.61 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 4.16 1.65 -3.02 0.00 0.00 -1.26 -4.98 120.51 117.07 1ug1 n ALA 29 Ca 0.21 -0.76 -0.11 0.00 0.00 0.00 0.00 53.44 52.77 1ug1 n ALA 29 Cb 0.21 0.07 0.03 0.00 0.00 0.00 0.00 19.45 19.77 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 -2.84 0.82 0.09 0.00 6.02 -1.26 -5.01 117.38 115.20 1ug1 n GLN 30 Ca -0.27 -1.45 0.12 0.00 -0.01 0.00 0.00 57.00 55.39 1ug1 n GLN 30 Cb 0.85 -0.11 0.12 0.00 1.02 0.00 0.00 30.24 32.12 1ug1 n GLN 30 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1ug1 h ASP 31 N 0.04 0.00 0.50 1.08 5.19 -2.00 -3.24 116.42 117.99 1ug1 h ASP 31 Ca -0.13 -0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.17 1ug1 h ASP 31 Cb 0.58 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.09 1ug1 h ASP 31 CO 0.18 0.06 -1.00 0.18 -3.12 0.00 0.00 179.24 175.54 1ug1 n LEU 32 N -2.41 0.62 -4.84 1.55 4.77 -1.26 -4.91 117.00 110.52 1ug1 n LEU 32 Ca 0.02 0.02 -0.32 0.00 -0.03 0.00 0.00 56.01 55.71 1ug1 n LEU 32 Cb 0.49 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.43 1ug1 n LEU 32 CO 0.37 0.02 0.64 -1.81 -1.33 0.00 0.00 177.39 175.28 1ug1 s ASP 33 N -4.03 6.71 0.00 -1.43 1.11 -1.22 -2.03 116.67 115.78 1ug1 s ASP 33 Ca 0.04 1.55 0.03 0.00 0.18 0.00 0.00 52.55 54.35 1ug1 s ASP 33 Cb 0.14 -2.49 -0.01 0.00 1.07 0.00 0.00 42.92 41.63 1ug1 s ASP 33 CO 0.79 -0.49 -0.09 0.68 1.18 0.00 0.00 175.17 177.25 1ug1 s VAL 34 N -2.44 0.69 0.13 -1.27 -7.23 -1.26 -4.81 120.40 104.20 1ug1 s VAL 34 Ca 0.59 -0.46 -0.31 0.00 -1.81 0.00 0.00 61.98 59.98 1ug1 s VAL 34 Cb -0.10 -0.59 -0.10 0.00 0.56 0.00 0.00 36.38 36.15 1ug1 s VAL 34 CO 0.25 0.13 1.68 -0.44 -0.31 0.00 0.00 175.10 176.41 1ug1 s SER 35 N -0.38 6.52 0.41 4.85 0.01 -1.26 -4.40 113.70 119.45 1ug1 s SER 35 Ca 0.02 2.64 0.05 0.00 1.31 0.00 0.00 55.95 59.97 1ug1 s SER 35 Cb -0.04 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.56 1ug1 s SER 35 CO -0.00 -0.91 0.03 -0.76 0.41 0.00 0.00 173.24 172.01 1ug1 s LEU 36 N 2.05 2.48 -0.05 2.44 1.43 -0.91 -4.99 118.68 121.13 1ug1 s LEU 36 Ca 0.75 -1.47 0.05 0.00 -1.03 0.00 0.00 54.13 52.43 1ug1 s LEU 36 Cb -0.44 -0.65 -0.01 0.00 0.03 0.00 0.00 46.19 45.12 1ug1 s LEU 36 CO 0.33 -0.63 -0.22 -0.76 0.23 0.00 0.00 176.35 175.30 1ug1 s LEU 37 N -3.69 2.01 0.67 1.79 1.43 -1.26 -3.41 118.68 116.22 1ug1 s LEU 37 Ca 0.27 -0.44 0.29 0.00 -1.03 0.00 0.00 54.13 53.22 1ug1 s LEU 37 Cb 0.07 -1.20 1.60 0.00 0.03 0.00 0.00 46.19 46.69 1ug1 s LEU 37 CO 0.13 0.21 1.90 1.05 0.23 0.00 0.00 176.35 179.88 1ug1 h GLU 38 N 6.09 0.00 0.00 1.70 4.11 -1.75 1.50 114.58 126.24 1ug1 h GLU 38 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.10 1ug1 h GLU 38 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1ug1 h GLU 38 CO 0.47 0.00 -0.93 0.41 0.07 0.00 0.00 179.01 179.04 1ug1 n GLY 39 N -1.23 -1.12 3.85 1.06 0.00 -1.26 -4.17 105.19 102.32 1ug1 n GLY 39 Ca -0.02 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 1ug1 n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ug1 s ASP 40 N -3.33 6.67 0.07 1.61 1.01 0.51 -4.91 116.67 118.30 1ug1 s ASP 40 Ca 0.07 1.48 0.08 0.00 0.71 0.00 0.00 52.55 54.88 1ug1 s ASP 40 Cb 0.16 -2.46 -0.03 0.00 1.01 0.00 0.00 42.92 41.59 1ug1 s ASP 40 CO 0.81 -0.48 -0.18 -0.22 0.21 0.00 0.00 175.17 175.30 1ug1 s LEU 41 N -3.79 2.62 0.15 1.23 2.96 -1.26 -1.60 118.68 118.99 1ug1 s LEU 41 Ca 0.57 -0.48 0.04 0.00 -0.22 0.00 0.00 54.13 54.05 1ug1 s LEU 41 Cb -0.10 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 1ug1 s LEU 41 CO 0.27 0.23 -0.10 0.68 -1.32 0.00 0.00 176.35 176.12 1ug1 s VAL 42 N -1.00 1.17 -0.25 1.68 -7.23 0.14 -4.31 120.40 110.61 1ug1 s VAL 42 Ca 0.16 -2.06 0.02 0.00 -1.81 0.00 0.00 61.98 58.28 1ug1 s VAL 42 Cb -0.10 -1.89 0.06 0.00 0.56 0.00 0.00 36.38 35.01 1ug1 s VAL 42 CO 0.07 -0.72 -0.09 -0.83 -0.31 0.00 0.00 175.10 173.22 1ug1 s GLY 43 N -3.18 1.51 0.03 2.32 0.00 -0.98 -1.09 107.32 105.93 1ug1 s GLY 43 Ca 0.18 -1.59 -0.38 0.00 0.00 0.00 0.00 44.72 42.92 1ug1 s GLY 43 CO 0.01 0.72 0.99 -0.62 0.00 0.00 0.00 173.10 174.20 1ug1 n VAL 44 N 4.53 0.31 -0.08 1.40 0.31 -0.24 -3.15 118.33 121.40 1ug1 n VAL 44 Ca -0.13 -0.08 -0.17 0.00 -0.01 0.00 0.00 64.34 63.95 1ug1 n VAL 44 Cb 0.43 -0.01 -0.06 0.00 -0.91 0.00 0.00 33.84 33.30 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 1.28 1.10 -3.84 2.52 5.41 0.55 -4.92 119.36 121.46 1ug1 n ILE 45 Ca 0.20 -0.14 -0.12 0.00 1.00 0.00 0.00 62.75 63.68 1ug1 n ILE 45 Cb 0.11 -1.83 -0.14 0.00 -0.71 0.00 0.00 39.64 37.07 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 0.06 -0.15 0.38 1.02 -0.90 -4.97 119.74 112.78 1ug1 s LYS 46 Ca -0.24 0.10 0.10 0.00 0.02 0.00 0.00 55.97 55.94 1ug1 s LYS 46 Cb 0.08 0.00 0.54 0.00 -0.52 0.00 0.00 37.83 37.94 1ug1 s LYS 46 CO 0.31 -0.03 1.34 1.63 -0.92 0.00 0.00 175.35 177.68 1ug1 n LYS 47 N 3.18 3.54 -3.64 1.68 5.02 -1.26 -1.38 118.16 125.30 1ug1 n LYS 47 Ca -0.14 -2.09 -0.14 0.00 -2.02 0.00 0.00 58.31 53.92 1ug1 n LYS 47 Cb 0.59 -1.98 -0.07 0.00 -0.02 0.00 0.00 35.03 33.54 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 -2.13 0.80 0.44 1.97 2.20 -1.26 -4.79 119.74 116.97 1ug1 s LYS 48 Ca 0.36 0.82 0.08 0.00 -0.36 0.00 0.00 55.97 56.87 1ug1 s LYS 48 Cb 0.27 0.39 -0.01 0.00 -1.51 0.00 0.00 37.83 36.98 1ug1 s LYS 48 CO 0.11 -0.12 0.41 0.16 -0.36 0.00 0.00 175.35 175.55 1ug1 s ASP 49 N 0.14 5.03 0.29 1.43 1.47 -1.26 -4.78 116.67 118.98 1ug1 s ASP 49 Ca -0.02 -0.80 0.26 0.00 1.18 0.00 0.00 52.55 53.17 1ug1 s ASP 49 Cb -0.04 -0.41 0.89 0.00 -0.34 0.00 0.00 42.92 43.03 1ug1 s ASP 49 CO 0.02 -0.75 1.76 1.55 0.68 0.00 0.00 175.17 178.43 1ug1 h PRO 50 N 0.93 0.00 0.15 2.11 0.13 -1.98 -3.17 132.00 130.17 1ug1 h PRO 50 Ca -0.40 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.44 1ug1 h PRO 50 Cb 1.27 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.41 1ug1 h PRO 50 CO 0.56 0.00 -1.42 1.98 -0.23 0.00 0.00 178.00 178.89 1ug1 h MET 51 N 0.00 0.31 0.00 0.86 1.85 -2.00 -3.49 114.93 112.47 1ug1 h MET 51 Ca 0.00 -0.53 0.00 0.00 -0.61 0.00 0.00 59.70 58.56 1ug1 h MET 51 Cb 0.59 0.20 0.00 0.00 0.43 0.00 0.00 31.60 32.82 1ug1 h MET 51 CO 0.00 1.26 0.00 0.41 -0.40 0.00 0.00 176.91 178.18 1ug1 n GLY 52 N 1.76 0.81 2.88 1.39 0.00 -1.20 -5.09 105.19 105.75 1ug1 n GLY 52 Ca -0.23 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.76 4.66 0.34 1.61 0.01 -1.26 -4.93 113.70 113.36 1ug1 s SER 53 Ca 0.00 -3.76 0.12 0.00 1.31 0.00 0.00 55.95 53.62 1ug1 s SER 53 Cb 0.00 -1.59 0.99 0.00 0.21 0.00 0.00 66.02 65.63 1ug1 s SER 53 CO 0.00 -0.10 1.71 -0.61 0.41 0.00 0.00 173.24 174.65 1ug1 h GLN 54 N 5.49 0.46 -0.62 12.44 4.15 -1.95 1.38 115.11 136.45 1ug1 h GLN 54 Ca 0.13 -0.03 0.12 0.00 0.77 0.00 0.00 58.65 59.65 1ug1 h GLN 54 Cb 0.77 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 28.32 1ug1 h GLN 54 CO 0.70 0.30 0.42 -0.91 -1.93 0.00 0.00 178.83 177.41 1ug1 h ASN 55 N 0.47 0.30 -3.52 -0.69 2.35 -1.92 -3.38 115.58 109.19 1ug1 h ASN 55 Ca 0.68 0.01 -0.63 0.00 -0.55 0.00 0.00 56.30 55.81 1ug1 h ASN 55 Cb 1.43 -0.05 -0.17 0.00 0.05 0.00 0.00 38.32 39.58 1ug1 h ASN 55 CO -0.50 0.17 -0.55 -0.60 -1.65 0.00 0.00 177.43 174.30 1ug1 s ARG 56 N -5.32 3.95 0.39 0.81 3.52 0.47 -2.86 118.95 119.90 1ug1 s ARG 56 Ca -0.07 -0.34 0.07 0.00 -0.13 0.00 0.00 55.73 55.26 1ug1 s ARG 56 Cb 0.20 -3.40 -0.07 0.00 -1.56 0.00 0.00 34.95 30.11 1ug1 s ARG 56 CO 0.75 0.06 -0.01 -1.58 -0.81 0.00 0.00 175.30 173.71 1ug1 s TRP 57 N 0.99 2.43 -0.22 5.12 0.51 0.35 -4.29 118.94 123.83 1ug1 s TRP 57 Ca 0.06 -0.66 -0.09 0.00 -2.12 0.00 0.00 56.10 53.29 1ug1 s TRP 57 Cb -0.14 -1.64 -0.04 0.00 -0.81 0.00 0.00 33.47 30.84 1ug1 s TRP 57 CO 0.03 0.44 0.11 -1.17 -0.51 0.00 0.00 176.95 175.86 1ug1 s LEU 58 N -3.66 3.94 0.11 2.99 2.96 -0.48 -1.62 118.68 122.92 1ug1 s LEU 58 Ca 0.34 0.07 0.02 0.00 -0.22 0.00 0.00 54.13 54.35 1ug1 s LEU 58 Cb 0.08 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 1ug1 s LEU 58 CO 0.17 0.10 -0.06 0.27 -1.32 0.00 0.00 176.35 175.51 1ug1 s ILE 59 N 0.84 0.72 -0.20 6.68 -5.25 -0.70 0.21 121.20 123.50 1ug1 s ILE 59 Ca 0.06 -1.95 -0.01 0.00 -0.99 0.00 0.00 60.65 57.77 1ug1 s ILE 59 Cb -0.13 -1.72 0.05 0.00 2.95 0.00 0.00 42.46 43.61 1ug1 s ILE 59 CO 0.02 -0.84 -0.03 -0.62 -1.79 0.00 0.00 174.94 171.68 1ug1 s ASP 60 N -3.06 3.24 0.41 4.36 -1.08 -1.19 -1.99 116.67 117.36 1ug1 s ASP 60 Ca 0.13 -0.90 0.29 0.00 -0.52 0.00 0.00 52.55 51.55 1ug1 s ASP 60 Cb 0.05 -0.94 1.34 0.00 -1.46 0.00 0.00 42.92 41.90 1ug1 s ASP 60 CO -0.04 -0.23 1.88 -0.55 0.52 0.00 0.00 175.17 176.75 1ug1 h ASN 61 N 8.08 0.00 0.00 -0.34 7.08 -1.71 -2.60 115.58 126.09 1ug1 h ASN 61 Ca -0.20 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.02 1ug1 h ASN 61 Cb 1.10 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.34 1ug1 h ASN 61 CO 0.39 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 176.35 1ug1 n GLY 62 N -0.39 1.52 0.11 9.14 0.00 -1.26 -4.65 105.19 109.66 1ug1 n GLY 62 Ca 0.00 -0.46 -0.20 0.00 0.00 0.00 0.00 46.02 45.36 1ug1 n GLY 62 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ug1 h VAL 63 N 0.00 1.13 -4.67 1.61 2.07 -1.84 -3.49 116.25 111.06 1ug1 h VAL 63 Ca 0.00 -2.34 -0.43 0.00 0.82 0.00 0.00 66.70 64.75 1ug1 h VAL 63 Cb 0.00 2.71 -0.11 0.00 -1.52 0.00 0.00 31.29 32.37 1ug1 h VAL 63 CO 0.00 0.60 -0.38 0.28 0.02 0.00 0.00 177.57 178.09 1ug1 s THR 64 N -2.41 0.00 -0.14 2.57 -1.32 -1.26 -4.97 115.64 108.11 1ug1 s THR 64 Ca -0.22 -1.87 0.01 0.00 -1.21 0.00 0.00 61.69 58.41 1ug1 s THR 64 Cb 0.04 -2.57 0.02 0.00 -1.51 0.00 0.00 72.50 68.48 1ug1 s THR 64 CO 0.71 0.00 -0.16 -0.75 -2.21 0.00 0.00 174.62 172.21 1ug1 s LYS 65 N -3.22 2.47 0.36 7.08 2.20 -1.26 -2.87 119.74 124.50 1ug1 s LYS 65 Ca 0.38 -0.63 0.07 0.00 -0.36 0.00 0.00 55.97 55.42 1ug1 s LYS 65 Cb 0.01 -2.16 -0.03 0.00 -1.51 0.00 0.00 37.83 34.14 1ug1 s LYS 65 CO 0.27 -0.16 0.25 0.20 -0.36 0.00 0.00 175.35 175.54 1ug1 s GLY 66 N 1.26 2.49 -0.12 5.54 0.00 -0.84 -4.87 107.32 110.77 1ug1 s GLY 66 Ca 0.01 -1.84 0.00 0.00 0.00 0.00 0.00 44.72 42.89 1ug1 s GLY 66 CO -0.08 -1.57 -0.13 -1.36 0.00 0.00 0.00 173.10 169.96 1ug1 s PHE 67 N -3.34 2.80 0.24 1.90 0.40 -0.86 -1.72 117.98 117.40 1ug1 s PHE 67 Ca 0.36 -0.59 0.01 0.00 -0.60 0.00 0.00 56.93 56.10 1ug1 s PHE 67 Cb 0.02 -1.82 -0.03 0.00 0.51 0.00 0.00 43.02 41.69 1ug1 s PHE 67 CO 0.25 -0.17 0.19 0.14 0.70 0.00 0.00 175.22 176.33 1ug1 s VAL 68 N 0.23 0.00 -0.17 -0.44 -7.23 -0.64 -4.43 120.40 107.73 1ug1 s VAL 68 Ca -0.09 -1.97 -0.16 0.00 -1.81 0.00 0.00 61.98 57.96 1ug1 s VAL 68 Cb -0.15 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 1ug1 s VAL 68 CO 0.05 0.00 0.38 -0.31 -0.31 0.00 0.00 175.10 174.91 1ug1 s TYR 69 N -3.94 3.44 0.57 2.82 2.02 -1.26 -0.50 117.35 120.51 1ug1 s TYR 69 Ca 0.39 0.67 0.40 0.00 -0.37 0.00 0.00 57.07 58.16 1ug1 s TYR 69 Cb 0.05 -2.46 1.47 0.00 -0.40 0.00 0.00 41.96 40.62 1ug1 s TYR 69 CO 0.16 0.13 1.58 0.66 -1.57 0.00 0.00 175.55 176.51 1ug1 h SER 70 N 6.94 0.00 -0.39 2.29 4.64 -1.86 1.47 113.55 126.64 1ug1 h SER 70 Ca -0.39 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 -0.02 0.00 -0.31 0.00 0.00 62.40 63.24 1ug1 h SER 70 CO 0.74 0.00 0.21 -1.28 -0.87 0.00 0.00 176.83 175.63 1ug1 h SER 71 N 0.00 0.50 0.38 4.97 0.87 -1.92 -0.80 113.55 117.55 1ug1 h SER 71 Ca 0.69 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 61.15 1ug1 h SER 71 Cb 3.04 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 64.88 1ug1 h SER 71 CO -0.01 0.45 0.00 0.49 -0.53 0.00 0.00 176.83 177.23 1ug1 n PHE 72 N -4.73 0.00 -3.85 2.24 3.72 0.50 -4.70 117.46 110.65 1ug1 n PHE 72 Ca 0.00 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.17 1ug1 n PHE 72 Cb 0.09 -0.45 -0.05 0.00 -0.94 0.00 0.00 39.48 38.13 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 -2.90 3.24 -0.04 4.37 1.43 -0.31 -0.84 118.68 123.64 1ug1 s LEU 73 Ca 0.07 -0.92 -0.11 0.00 -1.03 0.00 0.00 54.13 52.14 1ug1 s LEU 73 Cb 0.08 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.59 1ug1 s LEU 73 CO 0.22 -0.61 0.25 -1.59 0.23 0.00 0.00 176.35 174.85 1ug1 s LYS 74 N -4.02 0.50 -0.43 1.70 0.00 0.15 -4.64 119.74 113.00 1ug1 s LYS 74 Ca 0.44 -0.06 -0.29 0.00 0.00 0.00 0.00 55.97 56.07 1ug1 s LYS 74 Cb 0.00 0.22 0.01 0.00 0.00 0.00 0.00 37.83 38.07 1ug1 s LYS 74 CO 0.25 -0.12 1.42 -1.25 0.00 0.00 0.00 175.35 175.66 1ug1 s PRO 75 N -0.86 3.52 0.75 1.78 0.04 -1.26 -0.35 135.00 138.63 1ug1 s PRO 75 Ca -0.09 0.87 -0.10 0.00 0.04 0.00 0.00 61.00 61.72 1ug1 s PRO 75 Cb -0.05 -4.05 0.15 0.00 0.04 0.00 0.00 34.50 30.60 1ug1 s PRO 75 CO 0.02 -1.64 0.34 0.98 0.04 0.00 0.00 177.00 176.75 1ug1 n TYR 76 N 9.00 -2.22 -3.05 0.56 9.36 -0.53 -4.92 117.16 125.35 1ug1 n TYR 76 Ca 0.16 -0.09 0.02 0.00 3.32 0.00 0.00 57.90 61.31 1ug1 n TYR 76 Cb 0.48 -0.96 -0.00 0.00 -0.63 0.00 0.00 39.34 38.23 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 -1.97 -1.05 0.00 2.98 3.84 -1.26 -4.99 114.94 112.49 1ug1 s ASN 77 Ca 0.26 -0.40 0.20 0.00 0.21 0.00 0.00 52.86 53.13 1ug1 s ASN 77 Cb -0.05 1.39 1.19 0.00 -0.55 0.00 0.00 41.25 43.23 1ug1 s ASN 77 CO 0.22 -0.13 1.62 -0.81 -2.79 0.00 0.00 177.10 175.21 1ug1 n PRO 78 N 4.34 0.75 -1.98 0.43 -0.04 -1.26 -4.96 135.00 132.28 1ug1 n PRO 78 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1ug1 n PRO 78 Cb 0.59 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 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 -0.91 -4.81 -2.02 0.54 3.00 -1.26 -4.93 116.66 106.26 1ug1 n ARG 79 Ca 0.15 3.49 -0.01 0.00 -0.00 0.00 0.00 57.85 61.48 1ug1 n ARG 79 Cb 0.07 -3.90 -0.01 0.00 0.00 0.00 0.00 32.46 28.61 1ug1 n ARG 79 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1ug1 n ARG 80 N 1.65 -3.34 -4.06 -0.14 0.63 -1.26 -5.03 116.66 105.12 1ug1 n ARG 80 Ca 0.00 2.62 -0.30 0.00 -0.92 0.00 0.00 57.85 59.25 1ug1 n ARG 80 Cb 0.00 -3.47 -0.06 0.00 0.45 0.00 0.00 32.46 29.37 1ug1 n ARG 80 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1ug1 s SER 81 N -0.42 5.50 0.59 6.15 1.04 -1.26 -5.11 113.70 120.19 1ug1 s SER 81 Ca -0.07 -0.03 -0.08 0.00 0.48 0.00 0.00 55.95 56.25 1ug1 s SER 81 Cb 0.00 -1.46 -0.01 0.00 0.10 0.00 0.00 66.02 64.65 1ug1 s SER 81 CO 0.20 0.17 0.93 -1.38 0.98 0.00 0.00 173.24 174.13 1ug1 s HIS 82 N -1.41 3.43 0.53 5.02 -3.43 -1.26 -5.01 115.29 113.16 1ug1 s HIS 82 Ca 0.29 0.89 -0.21 0.00 -0.80 0.00 0.00 55.06 55.24 1ug1 s HIS 82 Cb -0.12 -2.68 -0.07 0.00 -1.43 0.00 0.00 32.58 28.28 1ug1 s HIS 82 CO 0.22 -0.71 0.93 -1.13 -2.00 0.00 0.00 174.74 172.05 1ug1 n SER 83 N -2.61 0.75 -3.89 7.38 3.41 -1.26 -5.01 113.62 112.40 1ug1 n SER 83 Ca 0.04 0.88 -0.17 0.00 -0.26 0.00 0.00 58.87 59.36 1ug1 n SER 83 Cb 0.56 -1.35 -0.16 0.00 -0.26 0.00 0.00 64.21 63.00 1ug1 n SER 83 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1ug1 s ASP 84 N -1.04 0.64 -0.12 4.04 1.01 -1.26 -5.10 116.67 114.84 1ug1 s ASP 84 Ca 0.70 -0.08 -0.42 0.00 0.71 0.00 0.00 52.55 53.46 1ug1 s ASP 84 Cb -0.47 -0.24 -0.20 0.00 1.01 0.00 0.00 42.92 43.02 1ug1 s ASP 84 CO 0.52 -0.03 1.23 0.00 0.21 0.00 0.00 175.17 177.10 1ug1 n ALA 85 N 3.68 -2.90 -0.77 5.23 0.00 -1.26 -4.83 120.51 119.67 1ug1 n ALA 85 Ca -0.22 0.57 -0.34 0.00 0.00 0.00 0.00 53.44 53.46 1ug1 n ALA 85 Cb 0.53 -1.82 0.13 0.00 0.00 0.00 0.00 19.45 18.29 1ug1 n ALA 85 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ug1 n SER 86 N 2.23 -2.63 -3.49 0.00 3.41 -1.26 -5.03 113.62 106.86 1ug1 n SER 86 Ca 0.23 0.03 -0.03 0.00 -0.26 0.00 0.00 58.87 58.84 1ug1 n SER 86 Cb 0.05 -0.95 -0.05 0.00 -0.26 0.00 0.00 64.21 63.00 1ug1 n SER 86 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ug1 s SER 87 N -1.73 -0.80 0.00 4.04 0.15 -1.26 -5.10 113.70 109.00 1ug1 s SER 87 Ca 0.53 1.09 0.00 0.00 0.70 0.00 0.00 55.95 58.27 1ug1 s SER 87 Cb -0.12 1.88 0.00 0.00 -1.71 0.00 0.00 66.02 66.07 1ug1 s SER 87 CO 0.68 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.48 1ug1 n GLY 88 N 5.42 -0.33 0.08 9.45 0.00 -1.26 -5.07 105.19 113.47 1ug1 n GLY 88 Ca -0.07 0.66 -0.12 0.00 0.00 0.00 0.00 46.02 46.49 1ug1 n GLY 88 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ug1 h PRO 89 N 0.00 -0.06 -4.61 1.61 0.13 -2.06 -3.50 132.00 123.50 1ug1 h PRO 89 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ug1 h PRO 89 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1ug1 h PRO 89 CO 0.00 0.57 -0.92 0.45 -0.23 0.00 0.00 178.00 177.87 1ug1 n SER 90 N -4.78 -8.84 -0.04 1.44 2.88 -1.26 -4.96 113.62 98.06 1ug1 n SER 90 Ca -0.08 1.73 -0.03 0.00 -1.33 0.00 0.00 58.87 59.15 1ug1 n SER 90 Cb 0.32 -4.97 -0.03 0.00 -0.75 0.00 0.00 64.21 58.78 1ug1 n SER 90 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1ug1 h SER 91 N 4.33 -0.03 0.00 -3.46 0.02 -2.08 -3.57 113.55 108.76 1ug1 h SER 91 Ca 0.00 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1ug1 h SER 91 Cb 0.00 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1ug1 h SER 91 CO 0.00 0.55 0.00 0.61 -1.14 0.00 0.00 176.83 176.85