#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ug2 s PRO 2 N 0.00 -0.55 0.23 1.61 0.04 -1.26 -5.04 135.00 130.03 1ug2 s PRO 2 Ca 0.00 -0.34 0.00 0.00 0.04 0.00 0.00 61.00 60.70 1ug2 s PRO 2 Cb 0.00 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.84 1ug2 s PRO 2 CO 0.00 -3.22 0.00 0.43 0.04 0.00 0.00 177.00 174.25 1ug2 n SER 3 N -4.35 0.06 0.00 6.66 7.64 -1.26 -5.10 113.62 117.28 1ug2 n SER 3 Ca 0.16 0.38 0.00 0.00 1.01 0.00 0.00 58.87 60.42 1ug2 n SER 3 Cb 0.59 0.24 0.00 0.00 -1.01 0.00 0.00 64.21 64.04 1ug2 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ug2 n GLY 4 N 1.89 0.84 1.18 0.23 0.00 -1.26 -5.03 105.19 103.04 1ug2 n GLY 4 Ca 0.00 -0.58 0.08 0.00 0.00 0.00 0.00 46.02 45.51 1ug2 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ug2 n SER 5 N 3.53 -6.38 0.00 1.61 2.88 -1.26 -5.09 113.62 108.92 1ug2 n SER 5 Ca 0.00 1.30 0.00 0.00 -1.33 0.00 0.00 58.87 58.84 1ug2 n SER 5 Cb 0.00 -3.85 0.00 0.00 -0.75 0.00 0.00 64.21 59.61 1ug2 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ug2 n SER 6 N -3.18 0.00 -1.87 -3.46 7.64 -1.26 -5.19 113.62 106.29 1ug2 n SER 6 Ca -0.04 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.79 1ug2 n SER 6 Cb 0.47 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.67 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 -0.08 1.86 3.71 0.23 0.00 -1.26 -5.19 105.19 104.47 1ug2 n GLY 7 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.70 -2.11 0.00 4.61 0.00 -1.26 -5.19 121.76 116.11 1ug2 s ALA 8 Ca 0.09 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.48 1ug2 s ALA 8 Cb -0.02 0.51 0.00 0.00 0.00 0.00 0.00 23.12 23.61 1ug2 s ALA 8 CO 0.07 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.17 1ug2 n GLY 9 N -0.55 5.18 3.15 0.00 0.00 -1.26 -5.16 105.19 106.55 1ug2 n GLY 9 Ca -0.06 -1.55 0.05 0.00 0.00 0.00 0.00 46.02 44.45 1ug2 n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ug2 s ALA 10 N -2.00 -3.19 0.14 4.61 0.00 -1.26 -5.17 121.76 114.89 1ug2 s ALA 10 Ca 0.00 1.42 -0.17 0.00 0.00 0.00 0.00 51.96 53.21 1ug2 s ALA 10 Cb 0.00 -2.54 0.04 0.00 0.00 0.00 0.00 23.12 20.62 1ug2 s ALA 10 CO 0.00 -1.68 0.44 -0.48 0.00 0.00 0.00 175.76 174.04 1ug2 s LEU 11 N 2.91 0.26 0.00 0.00 2.34 -1.26 -4.60 118.68 118.33 1ug2 s LEU 11 Ca 0.13 -0.32 -0.15 0.00 0.06 0.00 0.00 54.13 53.85 1ug2 s LEU 11 Cb -0.09 1.95 0.21 0.00 -0.56 0.00 0.00 46.19 47.71 1ug2 s LEU 11 CO -0.19 -0.90 0.98 -0.81 -1.06 0.00 0.00 176.35 174.38 1ug2 n PRO 12 N -0.26 -1.88 -3.15 1.48 -0.04 -1.26 -5.18 135.00 124.71 1ug2 n PRO 12 Ca -0.15 -1.54 0.05 0.00 -0.04 0.00 0.00 63.50 61.82 1ug2 n PRO 12 Cb 0.64 -1.21 -0.00 0.00 -0.04 0.00 0.00 33.50 32.88 1ug2 n PRO 12 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1ug2 s LYS 13 N -5.18 0.31 0.07 0.54 2.20 -1.26 -5.17 119.74 111.25 1ug2 s LYS 13 Ca 0.59 0.31 -0.26 0.00 -0.36 0.00 0.00 55.97 56.25 1ug2 s LYS 13 Cb -0.04 0.15 0.09 0.00 -1.51 0.00 0.00 37.83 36.52 1ug2 s LYS 13 CO 0.43 -0.57 1.16 0.00 -0.36 0.00 0.00 175.35 176.02 1ug2 s ALA 14 N 2.91 -2.02 0.00 3.13 0.00 -1.26 -5.19 121.76 119.33 1ug2 s ALA 14 Ca 0.20 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.25 1ug2 s ALA 14 Cb -0.05 0.68 0.00 0.00 0.00 0.00 0.00 23.12 23.75 1ug2 s ALA 14 CO -0.24 -1.08 0.00 0.43 0.00 0.00 0.00 175.76 174.87 1ug2 n SER 15 N -0.89 0.00 -3.68 0.00 7.64 -1.26 -5.19 113.62 110.24 1ug2 n SER 15 Ca -0.03 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.84 1ug2 n SER 15 Cb 0.60 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.79 1ug2 n SER 15 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1ug2 s GLU 16 N -2.00 0.77 -0.17 1.43 2.02 -1.26 -5.19 118.70 114.30 1ug2 s GLU 16 Ca 0.00 -0.42 -0.34 0.00 0.02 0.00 0.00 54.97 54.23 1ug2 s GLU 16 Cb 0.00 0.27 0.14 0.00 0.10 0.00 0.00 34.13 34.63 1ug2 s GLU 16 CO 0.00 -0.35 1.17 0.00 0.02 0.00 0.00 175.26 176.09 1ug2 s ALA 17 N -2.84 -2.04 0.01 5.21 0.00 -1.26 -5.18 121.76 115.66 1ug2 s ALA 17 Ca 0.13 1.55 -0.13 0.00 0.00 0.00 0.00 51.96 53.51 1ug2 s ALA 17 Cb 0.02 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 22.95 1ug2 s ALA 17 CO -0.01 -0.56 0.28 0.99 0.00 0.00 0.00 175.76 176.46 1ug2 s THR 18 N -2.30 0.07 0.09 0.00 2.01 -1.26 -5.17 115.64 109.07 1ug2 s THR 18 Ca 0.08 -0.59 0.02 0.00 0.31 0.00 0.00 61.69 61.51 1ug2 s THR 18 Cb -0.01 -0.71 -0.04 0.00 0.01 0.00 0.00 72.50 71.75 1ug2 s THR 18 CO -0.05 -0.32 -0.07 0.68 -0.69 0.00 0.00 174.62 174.17 1ug2 s VAL 19 N -1.76 0.66 -0.29 3.82 -7.23 -1.26 -5.16 120.40 109.18 1ug2 s VAL 19 Ca -0.11 -1.75 -0.27 0.00 -1.81 0.00 0.00 61.98 58.04 1ug2 s VAL 19 Cb -0.04 -1.45 0.19 0.00 0.56 0.00 0.00 36.38 35.64 1ug2 s VAL 19 CO 0.01 -0.77 1.41 0.00 -0.31 0.00 0.00 175.10 175.45 1ug2 s ALA 21 N -0.45 -0.36 0.02 0.00 0.00 -1.26 -5.16 121.76 114.55 1ug2 s ALA 21 Ca 0.08 0.42 -0.06 0.00 0.00 0.00 0.00 51.96 52.40 1ug2 s ALA 21 Cb -0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 1ug2 s ALA 21 CO -0.12 -0.07 0.10 1.21 0.00 0.00 0.00 175.76 176.88 1ug2 s ASN 22 N 0.09 0.12 0.27 0.00 2.47 -1.26 -5.17 114.94 111.47 1ug2 s ASN 22 Ca -0.00 -0.39 -0.14 0.00 0.42 0.00 0.00 52.86 52.74 1ug2 s ASN 22 Cb -0.01 0.20 0.01 0.00 -1.45 0.00 0.00 41.25 40.00 1ug2 s ASN 22 CO 0.00 -0.43 0.56 0.20 -3.72 0.00 0.00 177.10 173.71 1ug2 s ASN 23 N -1.74 -0.04 0.27 -4.21 0.01 -1.26 -5.15 114.94 102.82 1ug2 s ASN 23 Ca -0.10 -0.92 0.10 0.00 -0.71 0.00 0.00 52.86 51.23 1ug2 s ASN 23 Cb -0.05 0.65 -0.04 0.00 0.41 0.00 0.00 41.25 42.21 1ug2 s ASN 23 CO -0.02 -1.24 -0.05 -0.44 -1.51 0.00 0.00 177.10 173.84 1ug2 s SER 24 N -3.02 4.30 0.06 -1.22 0.01 -1.26 -5.14 113.70 107.42 1ug2 s SER 24 Ca 0.20 -0.74 0.03 0.00 1.31 0.00 0.00 55.95 56.75 1ug2 s SER 24 Cb -0.02 -0.71 -0.03 0.00 0.21 0.00 0.00 66.02 65.47 1ug2 s SER 24 CO 0.10 0.01 -0.09 -0.75 0.41 0.00 0.00 173.24 172.92 1ug2 s LYS 25 N -3.61 0.63 -0.21 12.44 2.36 -1.26 -4.99 119.74 125.10 1ug2 s LYS 25 Ca 0.31 -0.90 -0.07 0.00 -2.55 0.00 0.00 55.97 52.76 1ug2 s LYS 25 Cb -0.06 -0.36 0.03 0.00 -1.05 0.00 0.00 37.83 36.39 1ug2 s LYS 25 CO 0.19 0.06 0.15 0.28 1.55 0.00 0.00 175.35 177.57 1ug2 n VAL 26 N 1.14-11.80 -3.56 4.02 0.31 -1.26 -5.08 118.33 102.11 1ug2 n VAL 26 Ca -0.20 2.26 -0.09 0.00 -0.01 0.00 0.00 64.34 66.29 1ug2 n VAL 26 Cb 0.56 -6.45 -0.02 0.00 -0.91 0.00 0.00 33.84 27.02 1ug2 n VAL 26 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1ug2 s SER 27 N -0.93 -0.39 0.07 4.52 0.15 -1.26 -5.15 113.70 110.71 1ug2 s SER 27 Ca -0.17 -0.15 0.07 0.00 0.70 0.00 0.00 55.95 56.39 1ug2 s SER 27 Cb 0.01 0.53 -0.04 0.00 -1.71 0.00 0.00 66.02 64.81 1ug2 s SER 27 CO 0.73 -0.89 -0.12 -0.55 1.20 0.00 0.00 173.24 173.60 1ug2 s SER 28 N -2.71 4.22 0.23 5.45 0.15 -1.26 -5.08 113.70 114.70 1ug2 s SER 28 Ca 0.06 -0.37 -0.31 0.00 0.70 0.00 0.00 55.95 56.02 1ug2 s SER 28 Cb -0.02 -0.79 -0.12 0.00 -1.71 0.00 0.00 66.02 63.39 1ug2 s SER 28 CO -0.06 0.22 1.68 0.28 1.20 0.00 0.00 173.24 176.56 1ug2 s THR 29 N -1.09 2.04 -0.37 6.45 -1.32 -1.26 -4.71 115.64 115.38 1ug2 s THR 29 Ca 0.18 0.03 -0.08 0.00 -1.21 0.00 0.00 61.69 60.61 1ug2 s THR 29 Cb -0.11 -3.02 0.05 0.00 -1.51 0.00 0.00 72.50 67.91 1ug2 s THR 29 CO 0.10 0.00 0.18 -0.83 -2.21 0.00 0.00 174.62 171.86 1ug2 s GLY 30 N 0.97 1.91 0.48 6.08 0.00 -1.26 -5.00 107.32 110.50 1ug2 s GLY 30 Ca 0.71 -1.88 0.00 0.00 0.00 0.00 0.00 44.72 43.55 1ug2 s GLY 30 CO 0.37 0.86 0.00 1.18 0.00 0.00 0.00 173.10 175.51 1ug2 n GLU 31 N 4.88 -2.93 -2.48 2.90 1.02 -1.26 -4.92 120.64 117.86 1ug2 n GLU 31 Ca -0.11 2.25 -0.01 0.00 -0.02 0.00 0.00 57.16 59.26 1ug2 n GLU 31 Cb 0.44 -3.47 -0.01 0.00 -0.02 0.00 0.00 31.44 28.39 1ug2 n GLU 31 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ug2 n LYS 32 N -4.16 -3.08 -3.54 3.49 4.01 -1.26 -5.08 118.16 108.53 1ug2 n LYS 32 Ca -0.05 2.51 -0.11 0.00 -0.51 0.00 0.00 58.31 60.15 1ug2 n LYS 32 Cb 0.62 -4.57 -0.03 0.00 -0.51 0.00 0.00 35.03 30.54 1ug2 n LYS 32 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1ug2 s VAL 33 N -1.19 0.03 0.00 -0.18 0.11 -1.26 -4.92 120.40 112.98 1ug2 s VAL 33 Ca -0.05 -0.32 0.00 0.00 -2.93 0.00 0.00 61.98 58.68 1ug2 s VAL 33 Cb 0.00 -1.14 0.00 0.00 -1.53 0.00 0.00 36.38 33.71 1ug2 s VAL 33 CO 0.65 -0.13 0.00 0.52 -3.33 0.00 0.00 175.10 172.81 1ug2 n VAL 34 N -0.32 0.00 -0.27 2.04 0.31 -1.26 -4.37 118.33 114.47 1ug2 n VAL 34 Ca -0.16 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1ug2 n VAL 34 Cb 0.64 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.64 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 -0.93 -9.07 7.52 6.46 -2.03 -3.33 115.31 113.92 1ug2 h LEU 35 Ca 0.00 0.24 -0.61 0.00 -0.12 0.00 0.00 57.88 57.39 1ug2 h LEU 35 Cb 0.00 0.54 -0.13 0.00 -0.73 0.00 0.00 40.66 40.35 1ug2 h LEU 35 CO 0.00 -0.28 -0.22 0.26 -0.62 0.00 0.00 178.44 177.59 1ug2 s TRP 36 N -6.14 3.33 0.58 1.25 0.52 -1.26 -5.06 118.94 112.15 1ug2 s TRP 36 Ca -0.14 0.54 -0.17 0.00 0.02 0.00 0.00 56.10 56.34 1ug2 s TRP 36 Cb 0.21 -2.54 -0.04 0.00 -1.15 0.00 0.00 33.47 29.95 1ug2 s TRP 36 CO 0.73 -0.08 1.07 0.99 0.02 0.00 0.00 176.95 179.68 1ug2 s THR 37 N 1.57 3.64 0.05 2.01 2.01 -1.25 -4.81 115.64 118.86 1ug2 s THR 37 Ca 0.17 0.85 -0.19 0.00 0.31 0.00 0.00 61.69 62.83 1ug2 s THR 37 Cb -0.15 -3.34 -0.09 0.00 0.01 0.00 0.00 72.50 68.93 1ug2 s THR 37 CO 0.08 -0.39 1.30 -0.09 -0.69 0.00 0.00 174.62 174.83 1ug2 h ARG 38 N 0.67 -0.48 -0.74 4.92 2.43 -1.97 1.07 114.38 120.28 1ug2 h ARG 38 Ca -0.48 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 58.80 1ug2 h ARG 38 Cb 1.23 0.11 -0.10 0.00 -0.42 0.00 0.00 29.97 30.79 1ug2 h ARG 38 CO 0.57 -0.32 -0.52 1.49 -1.51 0.00 0.00 179.97 179.69 1ug2 h GLU 39 N -0.50 -0.10 -0.55 0.20 4.57 -1.98 1.58 114.58 117.81 1ug2 h GLU 39 Ca -0.02 0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.24 1ug2 h GLU 39 Cb 0.45 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.00 1ug2 h GLU 39 CO -0.08 -0.06 0.20 0.00 -1.18 0.00 0.00 179.01 177.88 1ug2 h ALA 40 N 0.19 0.69 -0.06 2.92 0.00 -1.91 1.52 119.26 122.60 1ug2 h ALA 40 Ca 0.12 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.14 1ug2 h ALA 40 Cb 0.41 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1ug2 h ALA 40 CO -0.75 -0.20 -0.14 -0.44 0.00 0.00 0.00 179.25 177.71 1ug2 h ASP 41 N 0.38 -0.43 -0.18 0.00 3.32 0.55 -1.87 116.42 118.18 1ug2 h ASP 41 Ca 0.27 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.38 1ug2 h ASP 41 Cb 0.31 0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1ug2 h ASP 41 CO -0.27 -0.19 0.05 0.03 -1.72 0.00 0.00 179.24 177.13 1ug2 h ARG 42 N -0.21 0.29 -0.97 3.56 3.08 0.31 -2.75 114.38 117.69 1ug2 h ARG 42 Ca 0.07 -0.07 0.30 0.00 0.07 0.00 0.00 59.98 60.35 1ug2 h ARG 42 Cb 0.31 -0.04 -0.17 0.00 0.08 0.00 0.00 29.97 30.14 1ug2 h ARG 42 CO -0.19 0.41 0.22 0.28 -1.07 0.00 0.00 179.97 179.62 1ug2 h VAL 43 N 0.12 0.09 0.24 2.04 2.07 0.25 1.40 116.25 122.46 1ug2 h VAL 43 Ca 0.06 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 1ug2 h VAL 43 Cb 0.24 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 1ug2 h VAL 43 CO -0.00 0.01 -0.33 0.40 0.02 0.00 0.00 177.57 177.67 1ug2 h ILE 44 N 0.06 0.00 -0.19 4.57 2.04 -1.04 0.69 117.51 123.64 1ug2 h ILE 44 Ca 0.65 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.54 1ug2 h ILE 44 Cb 1.46 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 1ug2 h ILE 44 CO -0.82 0.00 0.03 -0.07 0.00 0.00 0.00 178.15 177.29 1ug2 h LEU 45 N -0.60 -0.02 -0.13 1.44 3.38 -0.58 1.44 115.31 120.24 1ug2 h LEU 45 Ca -0.03 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1ug2 h LEU 45 Cb 0.54 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 1ug2 h LEU 45 CO -0.09 0.02 -0.35 0.74 0.09 0.00 0.00 178.44 178.85 1ug2 h THR 46 N 0.10 0.00 -0.65 0.22 2.02 0.20 1.41 112.91 116.20 1ug2 h THR 46 Ca 0.09 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.20 1ug2 h THR 46 Cb 0.09 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.47 1ug2 h THR 46 CO -0.13 0.00 0.16 0.24 0.37 0.00 0.00 175.52 176.16 1ug2 h MET 47 N -0.34 1.03 0.00 6.66 2.86 0.56 0.14 114.93 125.84 1ug2 h MET 47 Ca 0.03 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 1ug2 h MET 47 Cb 0.42 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1ug2 h MET 47 CO -0.31 0.91 0.00 0.00 1.06 0.00 0.00 176.91 178.58 1ug2 n GLN 49 N -2.75 0.23 0.40 0.00 7.27 0.47 0.58 117.38 123.58 1ug2 n GLN 49 Ca -0.01 0.38 -0.20 0.00 0.07 0.00 0.00 57.00 57.24 1ug2 n GLN 49 Cb 0.16 -1.21 -0.10 0.00 2.41 0.00 0.00 30.24 31.50 1ug2 n GLN 49 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 1ug2 h GLU 50 N -0.50 -1.13 -0.03 3.69 4.57 -0.77 -2.95 114.58 117.47 1ug2 h GLU 50 Ca 0.00 0.08 -0.16 0.00 -1.18 0.00 0.00 59.36 58.10 1ug2 h GLU 50 Cb 0.26 0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 1ug2 h GLU 50 CO 0.00 -0.75 -0.71 1.96 -1.18 0.00 0.00 179.01 178.33 1ug2 h GLN 51 N -1.18 0.16 0.00 1.92 4.20 -0.68 -3.50 115.11 116.04 1ug2 h GLN 51 Ca -0.10 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.48 1ug2 h GLN 51 Cb 0.96 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.77 1ug2 h GLN 51 CO 0.06 0.80 0.00 0.41 -0.67 0.00 0.00 178.83 179.44 1ug2 n GLY 52 N 0.49 2.65 3.34 3.46 0.00 -0.36 -4.84 105.19 109.93 1ug2 n GLY 52 Ca -0.02 -1.86 -0.43 0.00 0.00 0.00 0.00 46.02 43.71 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 0.80 4.13 -2.44 4.61 0.00 0.20 -4.16 120.51 123.65 1ug2 n ALA 53 Ca 0.00 -3.86 -0.24 0.00 0.00 0.00 0.00 53.44 49.34 1ug2 n ALA 53 Cb 0.00 -3.58 -0.11 0.00 0.00 0.00 0.00 19.45 15.76 1ug2 n ALA 53 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1ug2 s GLN 54 N 3.91 1.50 0.07 0.00 -2.07 -1.26 -5.02 119.66 116.79 1ug2 s GLN 54 Ca 0.52 -1.60 0.23 0.00 -1.82 0.00 0.00 55.36 52.69 1ug2 s GLN 54 Cb 0.07 -1.62 0.92 0.00 -1.09 0.00 0.00 33.01 31.29 1ug2 s GLN 54 CO 0.03 0.32 1.71 -0.35 -1.32 0.00 0.00 175.29 175.68 1ug2 n PRO 55 N -0.12 0.07 0.07 9.60 -0.04 -1.26 -2.17 135.00 141.14 1ug2 n PRO 55 Ca -0.09 0.18 0.12 0.00 -0.04 0.00 0.00 63.50 63.67 1ug2 n PRO 55 Cb 0.58 -1.60 0.21 0.00 -0.04 0.00 0.00 33.50 32.65 1ug2 n PRO 55 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1ug2 n HIS 56 N -1.72 0.61 0.02 0.54 8.25 -1.26 -3.89 115.22 117.77 1ug2 n HIS 56 Ca 0.05 0.18 -0.22 0.00 -0.26 0.00 0.00 57.72 57.47 1ug2 n HIS 56 Cb 0.28 -0.70 -0.14 0.00 1.12 0.00 0.00 29.99 30.55 1ug2 n HIS 56 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1ug2 h THR 57 N 0.00 0.99 -0.37 1.59 2.02 -1.75 -3.32 112.91 112.06 1ug2 h THR 57 Ca 0.00 -2.41 0.11 0.00 0.77 0.00 0.00 66.41 64.87 1ug2 h THR 57 Cb 0.74 2.70 -0.01 0.00 -1.74 0.00 0.00 68.15 69.84 1ug2 h THR 57 CO 0.00 0.74 0.69 -0.26 0.37 0.00 0.00 175.52 177.06 1ug2 h PHE 58 N -0.22 0.00 -0.02 3.16 0.04 -1.65 1.49 116.94 119.74 1ug2 h PHE 58 Ca -0.32 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.37 1ug2 h PHE 58 Cb 1.83 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.97 1ug2 h PHE 58 CO 0.12 0.00 -0.35 1.03 -0.60 0.00 0.00 178.31 178.51 1ug2 h SER 59 N 0.00 0.04 0.02 2.17 0.87 -1.73 -0.45 113.55 114.48 1ug2 h SER 59 Ca 0.18 -0.01 -0.17 0.00 -1.23 0.00 0.00 61.79 60.55 1ug2 h SER 59 Cb 1.56 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 63.49 1ug2 h SER 59 CO -0.00 0.39 -0.91 1.62 -0.53 0.00 0.00 176.83 177.40 1ug2 h VAL 60 N 0.04 1.21 -0.47 2.23 3.04 0.19 -3.34 116.25 119.14 1ug2 h VAL 60 Ca 0.00 -2.28 0.09 0.00 -1.01 0.00 0.00 66.70 63.51 1ug2 h VAL 60 Cb 0.64 2.68 -0.09 0.00 -2.01 0.00 0.00 31.29 32.51 1ug2 h VAL 60 CO 0.05 0.48 -0.10 0.40 -1.01 0.00 0.00 177.57 177.39 1ug2 h ILE 61 N -0.86 0.55 -0.86 3.17 2.04 -1.33 0.19 117.51 120.41 1ug2 h ILE 61 Ca -0.23 -0.01 0.18 0.00 1.00 0.00 0.00 64.86 65.80 1ug2 h ILE 61 Cb 1.30 0.53 -0.16 0.00 -0.74 0.00 0.00 36.82 37.75 1ug2 h ILE 61 CO -0.09 0.00 -0.17 -1.28 0.00 0.00 0.00 178.15 176.62 1ug2 h SER 62 N 0.01 -0.72 0.05 1.72 0.87 -1.23 0.77 113.55 115.03 1ug2 h SER 62 Ca 0.23 0.25 -0.00 0.00 -1.23 0.00 0.00 61.79 61.04 1ug2 h SER 62 Cb 0.35 0.51 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 1ug2 h SER 62 CO -0.47 -0.28 -0.02 1.56 -0.53 0.00 0.00 176.83 177.09 1ug2 h GLN 63 N 0.01 -0.06 -1.01 2.24 4.20 -1.13 -2.74 115.11 116.62 1ug2 h GLN 63 Ca 0.43 0.00 0.23 0.00 0.06 0.00 0.00 58.65 59.38 1ug2 h GLN 63 Cb 0.70 0.01 -0.11 0.00 0.30 0.00 0.00 27.48 28.38 1ug2 h GLN 63 CO -0.86 0.36 0.61 1.96 -0.67 0.00 0.00 178.83 180.23 1ug2 h GLN 64 N -0.50 0.58 0.11 1.46 1.08 0.17 0.12 115.11 118.14 1ug2 h GLN 64 Ca -0.01 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1ug2 h GLN 64 Cb 0.45 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 27.75 1ug2 h GLN 64 CO 0.01 0.38 -0.07 -0.07 -0.95 0.00 0.00 178.83 178.13 1ug2 h LEU 65 N 0.60 -0.18 0.00 1.46 3.38 0.54 -3.48 115.31 117.64 1ug2 h LEU 65 Ca 0.62 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.60 1ug2 h LEU 65 Cb 1.18 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1ug2 h LEU 65 CO -0.42 -0.12 0.00 0.61 0.09 0.00 0.00 178.44 178.61 1ug2 n GLY 66 N -1.18 2.85 0.37 0.83 0.00 0.43 -4.83 105.19 103.66 1ug2 n GLY 66 Ca -0.08 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1ug2 n GLY 66 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ug2 n ASN 67 N 0.00 0.00 -4.81 1.61 5.15 -1.25 -4.86 115.26 111.10 1ug2 n ASN 67 Ca 0.00 -1.61 -0.31 0.00 -0.60 0.00 0.00 54.58 52.06 1ug2 n ASN 67 Cb 0.00 -0.12 0.05 0.00 -0.53 0.00 0.00 39.78 39.18 1ug2 n ASN 67 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1ug2 s LYS 68 N 0.00 2.88 0.26 1.20 2.47 -1.05 -5.05 119.74 120.46 1ug2 s LYS 68 Ca 0.00 1.03 0.07 0.00 -1.56 0.00 0.00 55.97 55.51 1ug2 s LYS 68 Cb 0.00 -1.98 -0.03 0.00 -1.46 0.00 0.00 37.83 34.36 1ug2 s LYS 68 CO 0.00 -1.15 0.24 0.95 0.16 0.00 0.00 175.35 175.56 1ug2 s THR 69 N -2.93 4.44 -0.53 3.43 -4.23 -1.26 -4.35 115.64 110.22 1ug2 s THR 69 Ca 0.59 -1.32 0.26 0.00 -1.18 0.00 0.00 61.69 60.04 1ug2 s THR 69 Cb -0.15 -3.45 0.29 0.00 1.34 0.00 0.00 72.50 70.53 1ug2 s THR 69 CO 0.52 -0.32 1.76 1.55 -0.54 0.00 0.00 174.62 177.59 1ug2 h PRO 70 N 1.39 0.00 0.11 3.99 0.13 -1.92 -2.23 132.00 133.46 1ug2 h PRO 70 Ca -0.48 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.46 1ug2 h PRO 70 Cb 1.24 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.38 1ug2 h PRO 70 CO 0.60 0.00 -0.88 -0.24 -0.23 0.00 0.00 178.00 177.25 1ug2 h VAL 71 N 0.00 1.39 -0.09 1.56 3.04 -1.95 -3.23 116.25 116.97 1ug2 h VAL 71 Ca 0.00 -2.46 -0.01 0.00 -1.01 0.00 0.00 66.70 63.23 1ug2 h VAL 71 Cb 0.59 3.05 -0.00 0.00 -2.01 0.00 0.00 31.29 32.91 1ug2 h VAL 71 CO 0.00 0.68 0.03 -0.33 -1.01 0.00 0.00 177.57 176.93 1ug2 h GLU 72 N -0.48 0.15 -0.59 4.17 4.39 -1.96 -1.91 114.58 118.36 1ug2 h GLU 72 Ca -0.18 -0.03 0.17 0.00 0.34 0.00 0.00 59.36 59.66 1ug2 h GLU 72 Cb 1.57 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 30.17 1ug2 h GLU 72 CO 0.09 0.32 0.56 0.28 -1.16 0.00 0.00 179.01 179.09 1ug2 h VAL 73 N -0.05 0.38 0.00 3.13 2.07 -1.55 1.53 116.25 121.76 1ug2 h VAL 73 Ca 0.03 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.36 1ug2 h VAL 73 Cb 0.23 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1ug2 h VAL 73 CO -0.00 0.00 -0.91 -1.28 0.02 0.00 0.00 177.57 175.40 1ug2 h SER 74 N 0.00 0.00 1.28 0.57 0.87 -1.38 -2.43 113.55 112.46 1ug2 h SER 74 Ca 0.28 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.70 1ug2 h SER 74 Cb 1.40 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.34 1ug2 h SER 74 CO -0.00 0.88 -0.74 0.45 -0.53 0.00 0.00 176.83 176.88 1ug2 h HIS 75 N 0.00 0.00 0.07 2.24 -0.00 0.24 -2.90 115.15 114.80 1ug2 h HIS 75 Ca -0.02 0.00 -0.26 0.00 -0.00 0.00 0.00 60.37 60.09 1ug2 h HIS 75 Cb 1.68 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 29.10 1ug2 h HIS 75 CO 0.00 0.60 -1.11 -0.09 -0.00 0.00 0.00 177.93 177.32 1ug2 h ARG 76 N 0.00 0.42 0.10 2.45 9.65 -0.16 -2.55 114.38 124.29 1ug2 h ARG 76 Ca -0.03 -0.55 -0.00 0.00 -1.10 0.00 0.00 59.98 58.29 1ug2 h ARG 76 Cb 1.49 0.18 0.00 0.00 -1.39 0.00 0.00 29.97 30.25 1ug2 h ARG 76 CO 0.07 1.21 -0.05 0.35 2.80 0.00 0.00 179.97 184.35 1ug2 h PHE 77 N 0.19 -0.13 0.00 2.20 3.57 -1.49 0.19 116.94 121.48 1ug2 h PHE 77 Ca -0.12 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.36 1ug2 h PHE 77 Cb 1.79 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 40.57 1ug2 h PHE 77 CO 0.08 0.23 -0.07 0.07 -2.23 0.00 0.00 178.31 176.38 1ug2 h ARG 78 N -0.50 0.00 0.02 1.11 -0.00 -1.62 -2.01 114.38 111.38 1ug2 h ARG 78 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.94 1ug2 h ARG 78 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.38 1ug2 h ARG 78 CO 0.02 0.07 -0.11 0.93 -0.00 0.00 0.00 179.97 180.89 1ug2 h GLU 79 N 0.00 0.04 -0.10 0.08 4.39 -1.22 -2.99 114.58 114.78 1ug2 h GLU 79 Ca -0.00 -0.07 0.04 0.00 0.34 0.00 0.00 59.36 59.67 1ug2 h GLU 79 Cb 0.22 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 28.84 1ug2 h GLU 79 CO 0.01 0.99 -0.33 -0.07 -1.16 0.00 0.00 179.01 178.46 1ug2 h LEU 80 N -0.87 -1.01 -0.72 1.33 3.38 -0.27 0.59 115.31 117.75 1ug2 h LEU 80 Ca -0.02 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1ug2 h LEU 80 Cb 1.04 0.42 0.00 0.00 0.09 0.00 0.00 40.66 42.22 1ug2 h LEU 80 CO 0.02 -0.37 0.00 0.23 0.09 0.00 0.00 178.44 178.41 1ug2 n MET 81 N -5.41 0.08 -0.00 1.13 2.81 -0.79 -1.75 117.12 113.20 1ug2 n MET 81 Ca -0.04 0.53 -0.18 0.00 -1.81 0.00 0.00 57.70 56.21 1ug2 n MET 81 Cb 0.33 -1.75 -0.14 0.00 -0.71 0.00 0.00 33.22 30.95 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 0.17 -0.82 0.03 5.75 0.30 -3.10 115.11 117.44 1ug2 h GLN 82 Ca 0.00 -0.29 0.11 0.00 -0.15 0.00 0.00 58.65 58.31 1ug2 h GLN 82 Cb 0.06 0.11 -0.06 0.00 1.07 0.00 0.00 27.48 28.66 1ug2 h GLN 82 CO 0.00 1.14 0.53 1.37 -2.65 0.00 0.00 178.83 179.22 1ug2 h LEU 83 N -0.64 0.66 -0.40 -2.39 8.10 -0.37 0.90 115.31 121.17 1ug2 h LEU 83 Ca -0.08 0.02 -0.02 0.00 0.11 0.00 0.00 57.88 57.91 1ug2 h LEU 83 Cb 1.37 -0.11 -0.02 0.00 -0.44 0.00 0.00 40.66 41.46 1ug2 h LEU 83 CO 0.09 0.38 0.17 -0.26 -4.11 0.00 0.00 178.44 174.70 1ug2 h PHE 84 N 0.72 0.60 0.52 0.17 0.04 -1.59 -3.18 116.94 114.23 1ug2 h PHE 84 Ca 0.38 -0.04 -0.03 0.00 2.80 0.00 0.00 57.97 61.09 1ug2 h PHE 84 Cb 0.51 -0.18 0.01 0.00 2.20 0.00 0.00 35.95 38.48 1ug2 h PHE 84 CO -0.00 0.53 -0.25 1.25 -0.60 0.00 0.00 178.31 179.23 1ug2 h HIS 85 N 0.50 -0.65 -3.58 -0.55 2.76 -1.07 -3.42 115.15 109.14 1ug2 h HIS 85 Ca 0.13 -0.02 -0.68 0.00 -2.20 0.00 0.00 60.37 57.61 1ug2 h HIS 85 Cb 0.17 0.22 -0.28 0.00 1.55 0.00 0.00 27.41 29.07 1ug2 h HIS 85 CO -0.00 -0.41 -0.66 0.99 -1.30 0.00 0.00 177.93 176.56 1ug2 s THR 86 N -4.10 3.66 0.18 6.26 2.01 0.16 -5.08 115.64 118.73 1ug2 s THR 86 Ca -0.10 -0.80 0.08 0.00 0.31 0.00 0.00 61.69 61.18 1ug2 s THR 86 Cb 0.01 -2.89 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 1ug2 s THR 86 CO 0.31 0.10 -0.15 0.00 -0.69 0.00 0.00 174.62 174.19 1ug2 s ALA 87 N 1.45 1.93 -0.27 7.40 0.00 -1.20 -4.23 121.76 126.84 1ug2 s ALA 87 Ca 0.02 -1.57 -0.04 0.00 0.00 0.00 0.00 51.96 50.37 1ug2 s ALA 87 Cb -0.17 -0.10 0.10 0.00 0.00 0.00 0.00 23.12 22.94 1ug2 s ALA 87 CO 0.01 0.10 0.14 0.00 0.00 0.00 0.00 175.76 176.01 1ug2 n GLU 89 N 5.26 0.81 0.00 0.00 1.02 -1.26 -4.93 120.64 121.54 1ug2 n GLU 89 Ca -0.06 0.29 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 1ug2 n GLU 89 Cb 0.44 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 1ug2 n GLU 89 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ug2 n SER 90 N 1.39 0.00 -2.50 1.62 2.88 -1.26 -5.09 113.62 110.65 1ug2 n SER 90 Ca 0.12 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.62 1ug2 n SER 90 Cb 0.33 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.76 1ug2 n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ug2 n GLY 91 N 0.00 -4.83 0.08 0.46 0.00 -1.26 -4.97 105.19 94.66 1ug2 n GLY 91 Ca 0.00 1.28 -0.12 0.00 0.00 0.00 0.00 46.02 47.18 1ug2 n GLY 91 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ug2 h PRO 92 N 3.41 -0.04 -7.39 1.61 0.13 -2.02 -3.46 132.00 124.24 1ug2 h PRO 92 Ca -0.38 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.26 1ug2 h PRO 92 Cb 0.85 0.01 0.11 0.00 0.13 0.00 0.00 31.00 32.10 1ug2 h PRO 92 CO 0.03 0.63 0.34 -1.12 -0.23 0.00 0.00 178.00 177.65 1ug2 s SER 93 N -5.87 4.61 0.45 1.44 0.01 -1.26 -4.95 113.70 108.13 1ug2 s SER 93 Ca -0.16 1.39 0.00 0.00 1.31 0.00 0.00 55.95 58.49 1ug2 s SER 93 Cb -0.01 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 64.08 1ug2 s SER 93 CO 0.62 -1.91 0.00 -1.20 0.41 0.00 0.00 173.24 171.16 1ug2 n SER 94 N -3.40 -4.03 0.00 2.44 7.64 -1.26 -5.18 113.62 109.83 1ug2 n SER 94 Ca 0.07 0.90 0.00 0.00 1.01 0.00 0.00 58.87 60.85 1ug2 n SER 94 Cb 0.56 3.77 0.00 0.00 -1.01 0.00 0.00 64.21 67.52 1ug2 n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64