#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ug2 h PRO 2 N 0.00 -0.10 -2.60 1.61 0.13 -2.16 -3.49 132.00 125.40 1ug2 h PRO 2 Ca 0.00 0.01 0.12 0.00 -0.87 0.00 0.00 66.00 65.26 1ug2 h PRO 2 Cb 0.00 0.02 -0.08 0.00 0.13 0.00 0.00 31.00 31.07 1ug2 h PRO 2 CO 0.00 0.47 0.38 -1.12 -0.23 0.00 0.00 178.00 177.50 1ug2 s SER 3 N -5.73 -0.25 -0.30 1.44 0.01 -1.26 -5.16 113.70 102.46 1ug2 s SER 3 Ca -0.14 -0.41 -0.07 0.00 1.31 0.00 0.00 55.95 56.63 1ug2 s SER 3 Cb -0.00 0.57 0.18 0.00 0.21 0.00 0.00 66.02 66.98 1ug2 s SER 3 CO 0.53 -1.03 0.88 -0.83 0.41 0.00 0.00 173.24 173.19 1ug2 s GLY 4 N -2.88 -0.73 -0.08 3.44 0.00 -1.26 -5.17 107.32 100.64 1ug2 s GLY 4 Ca 0.10 2.20 -0.30 0.00 0.00 0.00 0.00 44.72 46.73 1ug2 s GLY 4 CO 0.02 3.75 0.87 -0.45 0.00 0.00 0.00 173.10 177.29 1ug2 s SER 5 N 2.92 -0.45 0.22 1.64 0.15 -1.26 -5.07 113.70 111.84 1ug2 s SER 5 Ca 0.11 0.36 0.00 0.00 0.70 0.00 0.00 55.95 57.12 1ug2 s SER 5 Cb -0.10 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 1ug2 s SER 5 CO -0.18 -0.51 0.00 -1.20 1.20 0.00 0.00 173.24 172.55 1ug2 n SER 6 N 0.48 -1.97 -3.89 5.45 7.64 -1.26 -5.14 113.62 114.93 1ug2 n SER 6 Ca -0.12 0.60 -0.35 0.00 1.01 0.00 0.00 58.87 60.01 1ug2 n SER 6 Cb 0.59 2.05 0.02 0.00 -1.01 0.00 0.00 64.21 65.86 1ug2 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ug2 n GLY 7 N -1.27 -3.53 3.61 0.23 0.00 -1.26 -4.98 105.19 97.98 1ug2 n GLY 7 Ca 0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 46.02 45.61 1ug2 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug2 s ALA 8 N -1.87 -2.17 0.04 4.61 0.00 -1.26 -5.19 121.76 115.91 1ug2 s ALA 8 Ca 0.47 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.79 1ug2 s ALA 8 Cb -0.35 -0.00 -0.00 0.00 0.00 0.00 0.00 23.12 22.76 1ug2 s ALA 8 CO 0.68 -0.75 0.01 0.41 0.00 0.00 0.00 175.76 176.11 1ug2 n GLY 9 N -0.22 4.07 2.38 0.00 0.00 -1.26 -5.01 105.19 105.15 1ug2 n GLY 9 Ca -0.02 -2.03 -0.35 0.00 0.00 0.00 0.00 46.02 43.62 1ug2 n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug2 n ALA 10 N -2.84 6.93 -2.61 4.61 0.00 -1.26 -4.86 120.51 120.48 1ug2 n ALA 10 Ca -0.02 -3.19 -0.23 0.00 0.00 0.00 0.00 53.44 50.00 1ug2 n ALA 10 Cb 0.05 -3.30 -0.07 0.00 0.00 0.00 0.00 19.45 16.14 1ug2 n ALA 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ug2 s LEU 11 N 0.17 3.26 0.06 0.00 1.02 -1.26 -4.08 118.68 117.85 1ug2 s LEU 11 Ca 0.63 -0.68 -0.16 0.00 0.02 0.00 0.00 54.13 53.95 1ug2 s LEU 11 Cb 0.16 -1.75 -0.21 0.00 0.02 0.00 0.00 46.19 44.41 1ug2 s LEU 11 CO -0.05 -0.12 1.20 1.55 0.02 0.00 0.00 176.35 178.94 1ug2 h PRO 12 N 1.73 0.63 0.00 1.29 0.13 -2.07 -3.48 132.00 130.24 1ug2 h PRO 12 Ca -0.44 -0.61 -0.02 0.00 -0.87 0.00 0.00 66.00 64.06 1ug2 h PRO 12 Cb 1.25 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.54 1ug2 h PRO 12 CO 0.62 1.22 -0.00 0.36 -0.23 0.00 0.00 178.00 179.97 1ug2 n LYS 13 N -4.02 0.97 0.00 0.86 2.85 -1.26 -5.13 118.16 112.43 1ug2 n LYS 13 Ca -0.10 -0.11 0.00 0.00 -1.05 0.00 0.00 58.31 57.05 1ug2 n LYS 13 Cb 0.76 -0.01 0.00 0.00 -0.65 0.00 0.00 35.03 35.13 1ug2 n LYS 13 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ug2 n ALA 14 N -2.98 0.00 -1.31 0.58 0.00 -1.26 -4.80 120.51 110.75 1ug2 n ALA 14 Ca -0.00 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.60 1ug2 n ALA 14 Cb 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.41 1ug2 n ALA 14 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ug2 n SER 15 N 0.00 -7.81 -3.72 0.00 3.41 -1.26 -5.04 113.62 99.19 1ug2 n SER 15 Ca 0.00 0.97 -0.09 0.00 -0.26 0.00 0.00 58.87 59.50 1ug2 n SER 15 Cb 0.00 -4.27 -0.02 0.00 -0.26 0.00 0.00 64.21 59.66 1ug2 n SER 15 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ug2 s GLU 16 N -3.24 1.60 -0.21 4.33 2.02 -1.26 -5.08 118.70 116.85 1ug2 s GLU 16 Ca 0.00 -0.83 -0.16 0.00 0.02 0.00 0.00 54.97 54.01 1ug2 s GLU 16 Cb 0.00 0.59 -0.09 0.00 0.10 0.00 0.00 34.13 34.73 1ug2 s GLU 16 CO 0.00 -0.72 -0.23 0.00 0.02 0.00 0.00 175.26 174.33 1ug2 n ALA 17 N -0.42 0.88 -0.84 5.21 0.00 -1.26 -4.95 120.51 119.13 1ug2 n ALA 17 Ca -0.08 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.58 1ug2 n ALA 17 Cb 0.61 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1ug2 n ALA 17 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1ug2 n THR 18 N -4.42 0.00 0.00 0.00 -1.04 -1.26 -4.79 114.28 102.77 1ug2 n THR 18 Ca -0.28 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 1ug2 n THR 18 Cb 0.61 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.12 1ug2 n THR 18 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1ug2 n VAL 19 N 0.00 0.00 -0.67 12.58 0.31 -1.26 -4.88 118.33 124.40 1ug2 n VAL 19 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.42 1ug2 n VAL 19 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 1ug2 n VAL 19 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ug2 s ALA 21 N -2.30 2.51 -0.02 0.00 0.00 -1.26 -5.14 121.76 115.54 1ug2 s ALA 21 Ca 0.00 -1.64 -0.05 0.00 0.00 0.00 0.00 51.96 50.27 1ug2 s ALA 21 Cb 0.00 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.81 1ug2 s ALA 21 CO 0.00 0.41 0.12 1.21 0.00 0.00 0.00 175.76 177.50 1ug2 s ASN 22 N -2.70 -0.04 -0.27 0.00 3.84 -1.26 -5.12 114.94 109.39 1ug2 s ASN 22 Ca 0.21 0.01 -0.06 0.00 0.21 0.00 0.00 52.86 53.22 1ug2 s ASN 22 Cb -0.08 0.23 -0.00 0.00 -0.55 0.00 0.00 41.25 40.85 1ug2 s ASN 22 CO 0.10 -0.20 0.06 0.20 -2.79 0.00 0.00 177.10 174.47 1ug2 s ASN 23 N -0.65 5.00 0.04 -4.21 0.01 -1.26 -5.00 114.94 108.87 1ug2 s ASN 23 Ca -0.07 -0.54 -0.30 0.00 -0.71 0.00 0.00 52.86 51.23 1ug2 s ASN 23 Cb -0.04 -1.87 -0.17 0.00 0.41 0.00 0.00 41.25 39.58 1ug2 s ASN 23 CO 0.01 -0.13 1.37 0.77 -1.51 0.00 0.00 177.10 177.61 1ug2 h SER 24 N 8.21 -0.93 -3.52 -1.22 4.64 -2.02 -3.49 113.55 115.23 1ug2 h SER 24 Ca -0.35 0.03 0.32 0.00 -0.47 0.00 0.00 61.79 61.33 1ug2 h SER 24 Cb 1.14 0.24 -0.12 0.00 -0.31 0.00 0.00 62.40 63.35 1ug2 h SER 24 CO 0.60 -0.62 -0.73 1.17 -0.87 0.00 0.00 176.83 176.37 1ug2 n LYS 25 N -5.15 -2.67 0.01 4.77 4.81 -1.26 -4.95 118.16 113.72 1ug2 n LYS 25 Ca -0.14 1.96 -0.00 0.00 -0.87 0.00 0.00 58.31 59.26 1ug2 n LYS 25 Cb 0.43 -3.19 -0.00 0.00 0.02 0.00 0.00 35.03 32.29 1ug2 n LYS 25 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1ug2 n VAL 26 N -4.02 0.49 -2.48 3.15 0.31 -1.26 -5.12 118.33 109.40 1ug2 n VAL 26 Ca -0.03 0.19 -0.05 0.00 -0.01 0.00 0.00 64.34 64.44 1ug2 n VAL 26 Cb 0.58 -1.31 -0.04 0.00 -0.91 0.00 0.00 33.84 32.16 1ug2 n VAL 26 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1ug2 n SER 27 N -2.94 -1.13 -3.61 4.52 7.64 -1.26 -5.08 113.62 111.76 1ug2 n SER 27 Ca -0.01 1.20 -0.04 0.00 1.01 0.00 0.00 58.87 61.03 1ug2 n SER 27 Cb 0.03 -4.80 -0.02 0.00 -1.01 0.00 0.00 64.21 58.41 1ug2 n SER 27 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ug2 s SER 28 N -0.68 -0.21 0.06 6.43 0.15 -1.26 -5.12 113.70 113.06 1ug2 s SER 28 Ca -0.24 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.28 1ug2 s SER 28 Cb 0.02 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 1ug2 s SER 28 CO 0.71 -0.56 0.00 0.41 1.20 0.00 0.00 173.24 175.00 1ug2 n THR 29 N -0.32-11.74 0.00 6.45 -1.04 -1.26 -4.88 114.28 101.49 1ug2 n THR 29 Ca -0.06 2.74 0.00 0.00 -2.04 0.00 0.00 64.05 64.69 1ug2 n THR 29 Cb 0.61 -5.49 0.00 0.00 -1.82 0.00 0.00 70.33 63.63 1ug2 n THR 29 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ug2 n GLY 30 N 1.56 3.47 3.50 3.41 0.00 -1.26 -4.73 105.19 111.14 1ug2 n GLY 30 Ca 0.00 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 1ug2 n GLY 30 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ug2 s GLU 31 N -3.48 2.71 -0.34 1.61 -1.05 -1.26 -5.01 118.70 111.87 1ug2 s GLU 31 Ca 0.00 -0.64 0.01 0.00 -0.15 0.00 0.00 54.97 54.20 1ug2 s GLU 31 Cb 0.00 -2.49 0.30 0.00 -0.44 0.00 0.00 34.13 31.50 1ug2 s GLU 31 CO 0.00 0.59 1.30 1.63 0.95 0.00 0.00 175.26 179.73 1ug2 n LYS 32 N 2.43 0.19 -3.93 -4.83 4.76 -1.26 -5.13 118.16 110.38 1ug2 n LYS 32 Ca -0.18 -0.78 -0.29 0.00 -2.87 0.00 0.00 58.31 54.20 1ug2 n LYS 32 Cb 0.52 -0.26 -0.16 0.00 -1.84 0.00 0.00 35.03 33.29 1ug2 n LYS 32 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1ug2 s VAL 33 N 0.10 1.30 0.22 -0.18 0.11 -1.26 -4.94 120.40 115.76 1ug2 s VAL 33 Ca 0.23 -0.70 0.00 0.00 -2.93 0.00 0.00 61.98 58.58 1ug2 s VAL 33 Cb 0.25 -1.40 0.00 0.00 -1.53 0.00 0.00 36.38 33.70 1ug2 s VAL 33 CO -0.14 0.20 0.00 0.52 -3.33 0.00 0.00 175.10 172.35 1ug2 n VAL 34 N 4.82 0.00 0.03 2.04 0.31 -1.26 -4.94 118.33 119.33 1ug2 n VAL 34 Ca -0.13 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.11 1ug2 n VAL 34 Cb 0.48 -0.49 -0.06 0.00 -0.91 0.00 0.00 33.84 32.85 1ug2 n VAL 34 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1ug2 h LEU 35 N 0.00 -0.16-10.64 7.52 7.12 -2.08 -3.46 115.31 113.61 1ug2 h LEU 35 Ca 0.00 -0.31 -0.47 0.00 0.13 0.00 0.00 57.88 57.23 1ug2 h LEU 35 Cb 0.00 0.04 0.11 0.00 -0.53 0.00 0.00 40.66 40.28 1ug2 h LEU 35 CO 0.00 0.43 0.41 0.26 -0.13 0.00 0.00 178.44 179.41 1ug2 s TRP 36 N -2.80 2.79 0.22 1.25 0.52 -1.26 -5.08 118.94 114.58 1ug2 s TRP 36 Ca -0.10 0.70 0.08 0.00 0.02 0.00 0.00 56.10 56.79 1ug2 s TRP 36 Cb -0.00 -3.57 -0.04 0.00 -1.15 0.00 0.00 33.47 28.71 1ug2 s TRP 36 CO 0.36 -1.88 0.05 -0.08 0.02 0.00 0.00 176.95 175.43 1ug2 s THR 37 N -3.61 3.85 0.05 2.01 -1.32 -1.26 -4.89 115.64 110.47 1ug2 s THR 37 Ca 0.63 -1.56 -0.26 0.00 -1.21 0.00 0.00 61.69 59.29 1ug2 s THR 37 Cb -0.10 -3.01 -0.14 0.00 -1.51 0.00 0.00 72.50 67.74 1ug2 s THR 37 CO 0.49 -0.25 1.40 -0.09 -2.21 0.00 0.00 174.62 173.96 1ug2 h ARG 38 N 2.13 -0.82 -0.92 7.08 9.65 -1.97 -0.53 114.38 128.99 1ug2 h ARG 38 Ca -0.46 0.06 0.10 0.00 -1.10 0.00 0.00 59.98 58.58 1ug2 h ARG 38 Cb 1.23 0.19 -0.12 0.00 -1.39 0.00 0.00 29.97 29.87 1ug2 h ARG 38 CO 0.60 -0.55 -0.48 -1.91 2.80 0.00 0.00 179.97 180.43 1ug2 n GLU 39 N -4.60 -0.34 -0.19 0.20 4.07 -1.26 0.19 120.64 118.71 1ug2 n GLU 39 Ca -0.10 1.40 0.00 0.00 -0.06 0.00 0.00 57.16 58.40 1ug2 n GLU 39 Cb 0.36 -2.07 0.10 0.00 -0.06 0.00 0.00 31.44 29.77 1ug2 n GLU 39 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ug2 h ALA 40 N 0.74 0.69 -0.42 4.31 0.00 -1.94 1.54 119.26 124.18 1ug2 h ALA 40 Ca 0.21 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 1ug2 h ALA 40 Cb 0.44 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1ug2 h ALA 40 CO -0.89 -0.30 0.09 0.22 0.00 0.00 0.00 179.25 178.37 1ug2 h ASP 41 N 0.26 0.58 -0.16 0.00 3.58 0.29 -1.11 116.42 119.87 1ug2 h ASP 41 Ca 0.31 -0.09 -0.13 0.00 0.42 0.00 0.00 57.03 57.53 1ug2 h ASP 41 Cb 0.45 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.35 1ug2 h ASP 41 CO -0.39 0.59 -0.43 0.03 -2.88 0.00 0.00 179.24 176.17 1ug2 h ARG 42 N 0.62 0.57 0.56 0.28 2.47 0.59 -3.07 114.38 116.40 1ug2 h ARG 42 Ca 0.14 -0.40 -0.02 0.00 -1.26 0.00 0.00 59.98 58.44 1ug2 h ARG 42 Cb 0.25 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.62 1ug2 h ARG 42 CO -0.00 1.02 -0.45 0.28 0.56 0.00 0.00 179.97 181.38 1ug2 h VAL 43 N 0.21 0.00 -1.00 2.04 2.07 0.24 0.14 116.25 119.96 1ug2 h VAL 43 Ca -0.01 0.00 0.38 0.00 0.82 0.00 0.00 66.70 67.89 1ug2 h VAL 43 Cb 1.04 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.63 1ug2 h VAL 43 CO 0.09 0.00 0.40 0.40 0.02 0.00 0.00 177.57 178.48 1ug2 h ILE 44 N -0.98 0.02 0.62 4.57 2.04 -1.30 1.60 117.51 124.08 1ug2 h ILE 44 Ca -0.07 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 1ug2 h ILE 44 Cb 0.82 -0.00 0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1ug2 h ILE 44 CO 0.01 0.00 -0.30 -0.07 0.00 0.00 0.00 178.15 177.79 1ug2 h LEU 45 N 0.02 -0.71 -0.45 1.44 3.38 -1.20 0.40 115.31 118.19 1ug2 h LEU 45 Ca 0.78 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.86 1ug2 h LEU 45 Cb 1.95 0.18 -0.08 0.00 0.09 0.00 0.00 40.66 42.80 1ug2 h LEU 45 CO -0.81 -0.39 -0.04 0.74 0.09 0.00 0.00 178.44 178.03 1ug2 h THR 46 N -1.07 0.61 0.66 0.22 2.02 0.24 0.96 112.91 116.55 1ug2 h THR 46 Ca -0.09 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 1ug2 h THR 46 Cb 0.64 0.54 0.01 0.00 -1.74 0.00 0.00 68.15 67.60 1ug2 h THR 46 CO 0.14 0.01 -0.33 0.24 0.37 0.00 0.00 175.52 175.96 1ug2 h MET 47 N 0.06 -0.86 -0.02 6.66 2.86 0.21 1.52 114.93 125.36 1ug2 h MET 47 Ca 0.22 0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.93 1ug2 h MET 47 Cb 0.33 0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.19 1ug2 h MET 47 CO -0.41 -0.57 0.24 0.00 1.06 0.00 0.00 176.91 177.23 1ug2 h GLN 49 N 0.00 0.00 0.56 0.00 4.15 0.19 0.50 115.11 120.52 1ug2 h GLN 49 Ca 0.01 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.40 1ug2 h GLN 49 Cb 0.50 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.20 1ug2 h GLN 49 CO -0.00 0.00 -0.27 1.49 -1.93 0.00 0.00 178.83 178.12 1ug2 h GLU 50 N -0.44 -0.73 -0.14 1.69 4.57 0.27 -3.22 114.58 116.58 1ug2 h GLU 50 Ca 0.00 0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 58.16 1ug2 h GLU 50 Cb 0.04 0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 1ug2 h GLU 50 CO 0.00 -0.46 -0.23 1.96 -1.18 0.00 0.00 179.01 179.10 1ug2 h GLN 51 N -1.17 0.24 0.00 1.92 1.08 0.16 -3.49 115.11 113.86 1ug2 h GLN 51 Ca -0.08 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.05 1ug2 h GLN 51 Cb 0.61 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 1ug2 h GLN 51 CO 0.13 0.47 0.00 0.41 -0.95 0.00 0.00 178.83 178.88 1ug2 n GLY 52 N -0.62 2.54 2.17 3.46 0.00 0.20 -4.77 105.19 108.18 1ug2 n GLY 52 Ca -0.01 -1.73 -0.25 0.00 0.00 0.00 0.00 46.02 44.03 1ug2 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug2 n ALA 53 N 1.14 6.84 -1.97 4.61 0.00 0.17 -4.09 120.51 127.21 1ug2 n ALA 53 Ca 0.00 -2.63 -0.26 0.00 0.00 0.00 0.00 53.44 50.55 1ug2 n ALA 53 Cb 0.00 -2.85 0.06 0.00 0.00 0.00 0.00 19.45 16.66 1ug2 n ALA 53 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ug2 s GLN 54 N 1.66 2.42 0.01 0.00 1.11 -1.26 -5.02 119.66 118.58 1ug2 s GLN 54 Ca 0.67 -0.12 -0.20 0.00 0.01 0.00 0.00 55.36 55.72 1ug2 s GLN 54 Cb 0.24 -2.18 -0.22 0.00 -1.01 0.00 0.00 33.01 29.85 1ug2 s GLN 54 CO -0.03 -1.10 1.13 -1.00 0.01 0.00 0.00 175.29 174.30 1ug2 h PRO 55 N -0.51 0.41 -0.31 2.91 0.13 -2.01 -3.26 132.00 129.36 1ug2 h PRO 55 Ca -0.45 -0.40 -0.16 0.00 -0.87 0.00 0.00 66.00 64.13 1ug2 h PRO 55 Cb 1.30 0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.52 1ug2 h PRO 55 CO 0.61 1.05 -0.44 1.25 -0.23 0.00 0.00 178.00 180.25 1ug2 h HIS 56 N -0.09 0.96 -0.94 1.56 2.76 -1.97 -3.04 115.15 114.39 1ug2 h HIS 56 Ca -0.06 -0.30 0.27 0.00 -2.20 0.00 0.00 60.37 58.09 1ug2 h HIS 56 Cb 1.21 -0.20 -0.14 0.00 1.55 0.00 0.00 27.41 29.83 1ug2 h HIS 56 CO 0.14 1.08 0.39 1.15 -1.30 0.00 0.00 177.93 179.40 1ug2 h THR 57 N 0.63 0.32 -0.27 6.26 2.02 -1.87 1.47 112.91 121.47 1ug2 h THR 57 Ca 0.04 -0.09 0.08 0.00 0.77 0.00 0.00 66.41 67.21 1ug2 h THR 57 Cb 1.01 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1ug2 h THR 57 CO 0.10 0.05 0.46 -0.26 0.37 0.00 0.00 175.52 176.24 1ug2 h PHE 58 N 0.28 0.00 0.00 3.16 0.04 -1.57 1.47 116.94 120.32 1ug2 h PHE 58 Ca 0.63 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.40 1ug2 h PHE 58 Cb 1.35 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.50 1ug2 h PHE 58 CO -0.15 0.00 0.00 1.03 -0.60 0.00 0.00 178.31 178.59 1ug2 h SER 59 N 0.00 0.00 0.00 2.17 0.87 0.19 -2.00 113.55 114.78 1ug2 h SER 59 Ca 0.13 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1ug2 h SER 59 Cb 1.05 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.01 1ug2 h SER 59 CO -0.00 0.00 -0.22 0.58 -0.53 0.00 0.00 176.83 176.66 1ug2 h VAL 60 N 0.00 0.07 -0.82 2.23 2.07 0.20 -3.34 116.25 116.66 1ug2 h VAL 60 Ca 0.00 -1.06 0.14 0.00 0.82 0.00 0.00 66.70 66.60 1ug2 h VAL 60 Cb 0.59 0.14 -0.09 0.00 -1.52 0.00 0.00 31.29 30.41 1ug2 h VAL 60 CO 0.00 0.02 0.40 0.40 0.02 0.00 0.00 177.57 178.41 1ug2 h ILE 61 N -1.00 0.72 -1.09 4.57 5.03 -1.57 0.23 117.51 124.40 1ug2 h ILE 61 Ca -0.01 -0.20 0.36 0.00 -0.12 0.00 0.00 64.86 64.89 1ug2 h ILE 61 Cb 0.25 0.09 -0.14 0.00 -3.03 0.00 0.00 36.82 33.99 1ug2 h ILE 61 CO -0.00 0.11 0.65 -1.28 -0.68 0.00 0.00 178.15 176.95 1ug2 h SER 62 N 0.58 0.42 0.54 1.72 0.87 -1.51 1.08 113.55 117.24 1ug2 h SER 62 Ca 0.45 0.17 -0.29 0.00 -1.23 0.00 0.00 61.79 60.89 1ug2 h SER 62 Cb 0.64 0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1ug2 h SER 62 CO -0.37 -0.15 -1.41 1.56 -0.53 0.00 0.00 176.83 175.94 1ug2 h GLN 63 N 0.24 0.25 0.35 2.24 4.20 -0.71 -1.51 115.11 120.16 1ug2 h GLN 63 Ca 0.75 -0.42 -0.01 0.00 0.06 0.00 0.00 58.65 59.03 1ug2 h GLN 63 Cb 1.95 0.16 -0.00 0.00 0.30 0.00 0.00 27.48 29.89 1ug2 h GLN 63 CO -0.53 1.14 -0.19 1.96 -0.67 0.00 0.00 178.83 180.53 1ug2 h GLN 64 N 0.07 -0.49 -0.71 1.46 1.08 0.21 -2.65 115.11 114.08 1ug2 h GLN 64 Ca -0.19 0.03 0.15 0.00 -1.45 0.00 0.00 58.65 57.19 1ug2 h GLN 64 Cb 1.99 0.11 -0.13 0.00 -0.05 0.00 0.00 27.48 29.40 1ug2 h GLN 64 CO 0.18 -0.33 -0.12 -0.07 -0.95 0.00 0.00 178.83 177.54 1ug2 h LEU 65 N -0.51 -0.56 0.00 1.46 3.38 -0.39 -3.46 115.31 115.23 1ug2 h LEU 65 Ca -0.04 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1ug2 h LEU 65 Cb 0.41 0.41 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1ug2 h LEU 65 CO 0.06 -0.22 0.00 0.61 0.09 0.00 0.00 178.44 178.98 1ug2 n GLY 66 N -1.45 2.95 0.88 0.83 0.00 -1.00 -4.86 105.19 102.53 1ug2 n GLY 66 Ca 0.10 -0.41 -0.02 0.00 0.00 0.00 0.00 46.02 45.69 1ug2 n GLY 66 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ug2 n ASN 67 N 0.00 -0.25 -4.82 1.61 0.23 -1.24 -4.87 115.26 105.92 1ug2 n ASN 67 Ca 0.00 -1.71 -0.33 0.00 -0.53 0.00 0.00 54.58 52.01 1ug2 n ASN 67 Cb 0.00 0.05 -0.05 0.00 -2.08 0.00 0.00 39.78 37.70 1ug2 n ASN 67 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1ug2 s LYS 68 N 0.00 4.04 0.40 -3.83 2.47 -0.57 -5.04 119.74 117.22 1ug2 s LYS 68 Ca 0.06 1.16 -0.01 0.00 -1.56 0.00 0.00 55.97 55.62 1ug2 s LYS 68 Cb 0.07 -2.15 -0.03 0.00 -1.46 0.00 0.00 37.83 34.26 1ug2 s LYS 68 CO -0.03 -0.20 0.63 0.95 0.16 0.00 0.00 175.35 176.86 1ug2 s THR 69 N -2.21 4.80 -0.45 3.43 -4.23 -1.26 -4.25 115.64 111.47 1ug2 s THR 69 Ca 0.63 -0.31 0.26 0.00 -1.18 0.00 0.00 61.69 61.09 1ug2 s THR 69 Cb -0.11 -3.78 0.30 0.00 1.34 0.00 0.00 72.50 70.25 1ug2 s THR 69 CO 0.19 -0.58 1.77 1.55 -0.54 0.00 0.00 174.62 177.00 1ug2 h PRO 70 N 0.54 0.00 0.13 3.99 0.13 -1.93 -0.87 132.00 133.98 1ug2 h PRO 70 Ca -0.48 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.32 1ug2 h PRO 70 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1ug2 h PRO 70 CO 0.61 0.00 -1.72 -0.24 -0.23 0.00 0.00 178.00 176.42 1ug2 h VAL 71 N 0.00 0.94 -0.06 1.56 3.04 -1.94 -3.18 116.25 116.61 1ug2 h VAL 71 Ca 0.00 -2.60 -0.10 0.00 -1.01 0.00 0.00 66.70 62.99 1ug2 h VAL 71 Cb 0.62 2.67 0.00 0.00 -2.01 0.00 0.00 31.29 32.57 1ug2 h VAL 71 CO 0.00 0.82 -0.35 -0.33 -1.01 0.00 0.00 177.57 176.70 1ug2 h GLU 72 N 0.07 0.34 -0.21 4.17 4.39 -1.93 -1.62 114.58 119.80 1ug2 h GLU 72 Ca -0.32 -0.29 0.05 0.00 0.34 0.00 0.00 59.36 59.15 1ug2 h GLU 72 Cb 2.05 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 30.70 1ug2 h GLU 72 CO 0.14 0.93 -0.18 0.28 -1.16 0.00 0.00 179.01 179.03 1ug2 h VAL 73 N -0.17 0.51 -0.80 3.13 2.07 -1.32 0.18 116.25 119.86 1ug2 h VAL 73 Ca -0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1ug2 h VAL 73 Cb 1.01 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 1ug2 h VAL 73 CO 0.07 0.00 0.47 -1.28 0.02 0.00 0.00 177.57 176.86 1ug2 h SER 74 N -0.19 0.97 -0.05 0.57 0.87 -1.60 -0.06 113.55 114.06 1ug2 h SER 74 Ca 0.12 -0.07 0.01 0.00 -1.23 0.00 0.00 61.79 60.63 1ug2 h SER 74 Cb 0.38 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1ug2 h SER 74 CO -0.32 0.76 0.04 0.45 -0.53 0.00 0.00 176.83 177.23 1ug2 h HIS 75 N 1.10 0.00 0.21 2.24 -0.00 -0.14 -0.93 115.15 117.63 1ug2 h HIS 75 Ca 0.29 0.00 -0.32 0.00 -0.00 0.00 0.00 60.37 60.34 1ug2 h HIS 75 Cb -0.03 0.00 0.03 0.00 -0.00 0.00 0.00 27.41 27.41 1ug2 h HIS 75 CO -0.00 0.00 -1.43 -0.09 -0.00 0.00 0.00 177.93 176.40 1ug2 h ARG 76 N 0.00 0.45 -0.54 2.45 9.65 0.90 -2.86 114.38 124.43 1ug2 h ARG 76 Ca 0.02 -0.77 0.05 0.00 -1.10 0.00 0.00 59.98 58.18 1ug2 h ARG 76 Cb 0.10 0.29 -0.05 0.00 -1.39 0.00 0.00 29.97 28.92 1ug2 h ARG 76 CO -0.00 1.37 0.28 0.35 2.80 0.00 0.00 179.97 184.76 1ug2 h PHE 77 N 0.12 0.51 0.00 2.20 3.57 0.26 0.47 116.94 124.08 1ug2 h PHE 77 Ca -0.23 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.19 1ug2 h PHE 77 Cb 2.11 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 40.69 1ug2 h PHE 77 CO 0.11 0.25 -0.49 0.07 -2.23 0.00 0.00 178.31 176.02 1ug2 h ARG 78 N 0.54 0.00 -0.13 1.11 -0.00 -1.46 -2.62 114.38 111.81 1ug2 h ARG 78 Ca 0.24 0.00 -0.21 0.00 -0.00 0.00 0.00 59.98 60.01 1ug2 h ARG 78 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.12 1ug2 h ARG 78 CO -0.16 0.49 -0.75 0.93 -0.00 0.00 0.00 179.97 180.47 1ug2 h GLU 79 N 0.00 0.64 0.70 0.08 5.08 -0.96 -2.32 114.58 117.81 1ug2 h GLU 79 Ca -0.00 -0.52 -0.03 0.00 -1.00 0.00 0.00 59.36 57.80 1ug2 h GLU 79 Cb 0.92 0.11 0.01 0.00 0.50 0.00 0.00 28.75 30.28 1ug2 h GLU 79 CO 0.06 1.14 -0.34 -0.07 -1.00 0.00 0.00 179.01 178.80 1ug2 h LEU 80 N 0.44 -0.80 -0.66 1.33 3.38 0.06 -1.76 115.31 117.31 1ug2 h LEU 80 Ca -0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1ug2 h LEU 80 Cb 1.35 0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.31 1ug2 h LEU 80 CO 0.14 -0.52 0.00 0.23 0.09 0.00 0.00 178.44 178.38 1ug2 n MET 81 N -5.47 0.08 0.08 1.13 2.81 -1.01 -2.26 117.12 112.50 1ug2 n MET 81 Ca -0.14 0.52 -0.11 0.00 -1.81 0.00 0.00 57.70 56.16 1ug2 n MET 81 Cb 0.39 -1.73 -0.07 0.00 -0.71 0.00 0.00 33.22 31.09 1ug2 n MET 81 CO 0.00 0.00 0.00 0.37 1.51 0.00 0.00 175.97 177.85 1ug2 h GLN 82 N 0.00 -0.27 -0.54 0.03 -0.00 -0.73 -0.36 115.11 113.24 1ug2 h GLN 82 Ca 0.00 0.02 0.06 0.00 -0.00 0.00 0.00 58.65 58.73 1ug2 h GLN 82 Cb 0.07 0.06 -0.09 0.00 0.00 0.00 0.00 27.48 27.52 1ug2 h GLN 82 CO 0.00 0.12 -0.56 -0.07 0.00 0.00 0.00 178.83 178.32 1ug2 h LEU 83 N -0.86 -1.91 -0.47 -2.39 3.38 -1.14 0.59 115.31 112.52 1ug2 h LEU 83 Ca -0.03 0.26 0.03 0.00 0.09 0.00 0.00 57.88 58.23 1ug2 h LEU 83 Cb 0.51 0.80 -0.04 0.00 0.09 0.00 0.00 40.66 42.03 1ug2 h LEU 83 CO 0.05 -0.37 0.26 -0.26 0.09 0.00 0.00 178.44 178.21 1ug2 h PHE 84 N -0.31 0.48 -0.31 1.13 0.04 -1.65 0.86 116.94 117.17 1ug2 h PHE 84 Ca 0.10 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.92 1ug2 h PHE 84 Cb 0.56 -0.15 -0.05 0.00 2.20 0.00 0.00 35.95 38.51 1ug2 h PHE 84 CO -0.79 0.26 -0.27 0.45 -0.60 0.00 0.00 178.31 177.37 1ug2 h HIS 85 N 0.51 -0.83 -0.02 -0.55 3.86 0.86 0.70 115.15 119.68 1ug2 h HIS 85 Ca 0.20 0.05 -0.10 0.00 -1.16 0.00 0.00 60.37 59.35 1ug2 h HIS 85 Cb 0.06 0.40 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 1ug2 h HIS 85 CO -0.08 -0.20 -0.46 0.00 0.86 0.00 0.00 177.93 178.04 1ug2 h THR 86 N -0.10 1.33 0.00 2.45 1.03 -0.99 -3.46 112.91 113.17 1ug2 h THR 86 Ca 0.05 -1.60 0.00 0.00 -0.01 0.00 0.00 66.41 64.85 1ug2 h THR 86 Cb 0.24 1.83 0.00 0.00 -1.07 0.00 0.00 68.15 69.15 1ug2 h THR 86 CO -0.35 0.46 0.00 0.00 -0.01 0.00 0.00 175.52 175.62 1ug2 n ALA 87 N -2.46 0.00 0.00 0.00 0.00 0.30 -4.79 120.51 113.56 1ug2 n ALA 87 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1ug2 n ALA 87 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1ug2 n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ug2 s GLU 89 N 0.00 0.16 0.29 0.00 0.41 -1.26 -5.14 118.70 113.15 1ug2 s GLU 89 Ca 0.00 -0.06 -0.27 0.00 -0.41 0.00 0.00 54.97 54.23 1ug2 s GLU 89 Cb 0.00 0.02 -0.15 0.00 -1.78 0.00 0.00 34.13 32.22 1ug2 s GLU 89 CO 0.00 -0.23 0.74 0.43 -0.49 0.00 0.00 175.26 175.71 1ug2 n SER 90 N 3.57 -0.07 0.00 -0.19 7.64 -1.26 -4.93 113.62 118.37 1ug2 n SER 90 Ca 0.06 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1ug2 n SER 90 Cb 0.64 -1.13 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 1ug2 n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ug2 n GLY 91 N 1.61 -2.06 3.25 0.23 0.00 -1.26 -5.07 105.19 101.89 1ug2 n GLY 91 Ca 0.13 0.99 -0.39 0.00 0.00 0.00 0.00 46.02 46.75 1ug2 n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ug2 n PRO 92 N 0.00 2.27 -2.74 1.61 -0.04 -1.26 -4.84 135.00 130.00 1ug2 n PRO 92 Ca 0.00 -2.54 -0.26 0.00 -0.04 0.00 0.00 63.50 60.66 1ug2 n PRO 92 Cb 0.00 -3.35 0.00 0.00 -0.04 0.00 0.00 33.50 30.11 1ug2 n PRO 92 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1ug2 s SER 93 N 4.74 6.11 0.25 3.54 1.04 -1.26 -4.95 113.70 123.17 1ug2 s SER 93 Ca 0.57 0.75 0.00 0.00 0.48 0.00 0.00 55.95 57.75 1ug2 s SER 93 Cb 0.08 -2.05 0.00 0.00 0.10 0.00 0.00 66.02 64.15 1ug2 s SER 93 CO 0.06 -0.63 0.00 -1.54 0.98 0.00 0.00 173.24 172.11 1ug2 n SER 94 N -2.23 -2.28 0.00 7.02 3.41 -1.26 -5.12 113.62 113.16 1ug2 n SER 94 Ca 0.01 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.23 1ug2 n SER 94 Cb 0.56 2.31 0.00 0.00 -0.26 0.00 0.00 64.21 66.81 1ug2 n SER 94 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49