#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 -0.25 -1.42 1.61 0.13 -2.15 -3.50 132.00 126.41 1ug2 h PRO 2 Ca 0.00 0.02 0.12 0.00 -0.87 0.00 0.00 66.00 65.27 1ug2 h PRO 2 Cb 0.00 0.06 -0.07 0.00 0.13 0.00 0.00 31.00 31.12 1ug2 h PRO 2 CO 0.00 0.00 -0.50 0.45 -0.23 0.00 0.00 178.00 177.72 1ug2 n SER 3 N -4.94 -3.16 0.00 1.44 2.88 -1.26 -5.09 113.62 103.48 1ug2 n SER 3 Ca -0.05 0.61 0.00 0.00 -1.33 0.00 0.00 58.87 58.10 1ug2 n SER 3 Cb 0.19 -1.92 0.00 0.00 -0.75 0.00 0.00 64.21 61.73 1ug2 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ug2 n GLY 4 N -2.81 2.92 3.27 0.46 0.00 -1.26 -5.16 105.19 102.60 1ug2 n GLY 4 Ca -0.03 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.02 1ug2 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ug2 s SER 5 N 0.00 -0.91 0.05 1.61 0.15 -1.26 -5.17 113.70 108.17 1ug2 s SER 5 Ca 0.00 0.78 -0.02 0.00 0.70 0.00 0.00 55.95 57.40 1ug2 s SER 5 Cb 0.00 1.85 -0.03 0.00 -1.71 0.00 0.00 66.02 66.12 1ug2 s SER 5 CO 0.00 -0.17 0.00 -0.44 1.20 0.00 0.00 173.24 173.83 1ug2 s SER 6 N 2.81 0.42 0.00 5.45 0.01 -1.26 -5.16 113.70 115.97 1ug2 s SER 6 Ca 0.06 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.41 1ug2 s SER 6 Cb -0.11 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.33 1ug2 s SER 6 CO -0.17 -0.60 0.00 0.61 0.41 0.00 0.00 173.24 173.49 1ug2 n GLY 7 N 0.20 2.50 3.84 3.44 0.00 -1.26 -5.19 105.19 108.71 1ug2 n GLY 7 Ca -0.15 -0.65 -0.04 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.00 -1.47 0.00 4.61 0.00 -1.26 -5.19 121.76 116.45 1ug2 s ALA 8 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.68 1ug2 s ALA 8 Cb 0.00 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.84 1ug2 s ALA 8 CO 0.00 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.12 1ug2 n GLY 9 N -0.61 3.81 1.77 0.00 0.00 -1.26 -5.11 105.19 103.79 1ug2 n GLY 9 Ca -0.05 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.46 0.00 -1.00 4.61 0.00 -1.26 -5.14 120.51 116.25 1ug2 n ALA 10 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1ug2 n ALA 10 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 1ug2 n ALA 10 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1ug2 n LEU 11 N -3.15 -5.73 0.00 0.00 -0.00 -1.26 -4.76 117.00 102.10 1ug2 n LEU 11 Ca 0.00 0.21 -0.22 0.00 -0.00 0.00 0.00 56.01 56.00 1ug2 n LEU 11 Cb 0.00 -0.78 0.17 0.00 -0.00 0.00 0.00 43.42 42.81 1ug2 n LEU 11 CO 0.00 -5.91 0.55 -0.81 -0.00 0.00 0.00 177.39 171.22 1ug2 n PRO 12 N 2.30 -1.75 -3.61 1.47 -0.04 -1.26 -5.20 135.00 126.91 1ug2 n PRO 12 Ca -0.01 -1.40 -0.11 0.00 -0.04 0.00 0.00 63.50 61.94 1ug2 n PRO 12 Cb 0.55 -1.10 -0.06 0.00 -0.04 0.00 0.00 33.50 32.85 1ug2 n PRO 12 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1ug2 s LYS 13 N -4.98 0.63 -0.24 0.54 1.02 -1.26 -5.18 119.74 110.26 1ug2 s LYS 13 Ca 0.54 0.48 -0.32 0.00 0.02 0.00 0.00 55.97 56.69 1ug2 s LYS 13 Cb -0.03 0.30 0.16 0.00 -0.52 0.00 0.00 37.83 37.74 1ug2 s LYS 13 CO 0.39 -0.13 1.26 0.00 -0.92 0.00 0.00 175.35 175.96 1ug2 s ALA 14 N -0.28 -2.09 -0.30 5.17 0.00 -1.26 -5.19 121.76 117.82 1ug2 s ALA 14 Ca -0.00 1.77 -0.39 0.00 0.00 0.00 0.00 51.96 53.34 1ug2 s ALA 14 Cb -0.03 -0.92 0.16 0.00 0.00 0.00 0.00 23.12 22.32 1ug2 s ALA 14 CO -0.01 -0.37 1.40 -1.12 0.00 0.00 0.00 175.76 175.65 1ug2 s SER 15 N -1.43 -0.00 -0.24 0.00 0.01 -1.26 -5.19 113.70 105.60 1ug2 s SER 15 Ca 0.08 0.00 -0.30 0.00 1.31 0.00 0.00 55.95 57.04 1ug2 s SER 15 Cb -0.01 0.00 0.17 0.00 0.21 0.00 0.00 66.02 66.39 1ug2 s SER 15 CO -0.05 -0.01 1.23 -0.70 0.41 0.00 0.00 173.24 174.12 1ug2 s GLU 16 N -2.00 0.25 -0.03 12.44 2.12 -1.26 -5.18 118.70 125.04 1ug2 s GLU 16 Ca 0.12 0.05 -0.29 0.00 0.36 0.00 0.00 54.97 55.21 1ug2 s GLU 16 Cb -0.01 0.12 0.10 0.00 0.26 0.00 0.00 34.13 34.60 1ug2 s GLU 16 CO -0.02 -0.08 0.84 0.00 -0.54 0.00 0.00 175.26 175.46 1ug2 s ALA 17 N -1.12 -1.81 -0.24 6.30 0.00 -1.26 -5.15 121.76 118.47 1ug2 s ALA 17 Ca 0.05 1.16 -0.02 0.00 0.00 0.00 0.00 51.96 53.15 1ug2 s ALA 17 Cb -0.01 0.09 0.13 0.00 0.00 0.00 0.00 23.12 23.33 1ug2 s ALA 17 CO -0.04 -0.53 0.35 0.99 0.00 0.00 0.00 175.76 176.52 1ug2 s THR 18 N -2.29 -0.55 -0.10 0.00 2.01 -1.26 -5.14 115.64 108.31 1ug2 s THR 18 Ca -0.00 -0.13 -0.13 0.00 0.31 0.00 0.00 61.69 61.73 1ug2 s THR 18 Cb -0.01 -0.82 0.03 0.00 0.01 0.00 0.00 72.50 71.71 1ug2 s THR 18 CO -0.03 -0.18 0.35 0.54 -0.69 0.00 0.00 174.62 174.61 1ug2 s VAL 19 N 2.50 0.02 0.11 3.82 0.11 -1.26 -5.17 120.40 120.52 1ug2 s VAL 19 Ca 0.11 -0.13 0.04 0.00 -2.93 0.00 0.00 61.98 59.08 1ug2 s VAL 19 Cb -0.15 -0.54 -0.04 0.00 -1.53 0.00 0.00 36.38 34.12 1ug2 s VAL 19 CO -0.18 -0.07 -0.10 0.00 -3.33 0.00 0.00 175.10 171.42 1ug2 s ALA 21 N -2.61 -1.00 0.00 0.00 0.00 -1.26 -5.16 121.76 111.73 1ug2 s ALA 21 Ca 0.08 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.39 1ug2 s ALA 21 Cb -0.02 0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.39 1ug2 s ALA 21 CO 0.00 -0.42 0.00 -1.71 0.00 0.00 0.00 175.76 173.63 1ug2 n ASN 22 N 0.64 0.00 -3.61 0.00 5.15 -1.26 -5.18 115.26 111.00 1ug2 n ASN 22 Ca -0.19 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.67 1ug2 n ASN 22 Cb 0.59 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.77 1ug2 n ASN 22 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1ug2 s ASN 23 N 0.00 -0.55 0.01 1.20 -0.87 -1.26 -5.18 114.94 108.30 1ug2 s ASN 23 Ca 0.00 0.93 -0.02 0.00 -1.57 0.00 0.00 52.86 52.21 1ug2 s ASN 23 Cb 0.00 0.90 -0.01 0.00 -0.02 0.00 0.00 41.25 42.12 1ug2 s ASN 23 CO 0.00 -0.27 0.02 -0.55 -2.57 0.00 0.00 177.10 173.72 1ug2 s SER 24 N -0.15 0.16 0.06 -1.22 0.15 -1.26 -5.17 113.70 106.28 1ug2 s SER 24 Ca -0.00 -0.37 -0.07 0.00 0.70 0.00 0.00 55.95 56.20 1ug2 s SER 24 Cb -0.04 0.12 -0.01 0.00 -1.71 0.00 0.00 66.02 64.39 1ug2 s SER 24 CO -0.01 -0.29 0.14 -0.54 1.20 0.00 0.00 173.24 173.74 1ug2 s LYS 25 N -1.29 0.70 0.25 5.44 1.02 -1.26 -5.13 119.74 119.47 1ug2 s LYS 25 Ca -0.14 -0.83 -0.30 0.00 0.02 0.00 0.00 55.97 54.71 1ug2 s LYS 25 Cb -0.08 0.28 -0.14 0.00 -0.52 0.00 0.00 37.83 37.36 1ug2 s LYS 25 CO -0.00 -0.19 1.23 1.33 -0.92 0.00 0.00 175.35 176.79 1ug2 n VAL 26 N 0.42 1.37 -4.10 3.17 0.24 -1.26 -4.98 118.33 113.19 1ug2 n VAL 26 Ca -0.17 -0.34 -0.23 0.00 -2.04 0.00 0.00 64.34 61.55 1ug2 n VAL 26 Cb 0.60 -1.22 -0.06 0.00 -1.47 0.00 0.00 33.84 31.69 1ug2 n VAL 26 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1ug2 s SER 27 N -0.10 4.63 0.44 -1.34 1.04 -1.26 -5.04 113.70 112.08 1ug2 s SER 27 Ca 0.65 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 56.26 1ug2 s SER 27 Cb -0.70 -0.69 0.00 0.00 0.10 0.00 0.00 66.02 64.74 1ug2 s SER 27 CO 0.55 -0.33 0.00 -1.20 0.98 0.00 0.00 173.24 173.24 1ug2 n SER 28 N -1.16 -8.23 -2.67 7.02 7.64 -1.26 -4.98 113.62 109.99 1ug2 n SER 28 Ca -0.03 0.91 -0.03 0.00 1.01 0.00 0.00 58.87 60.73 1ug2 n SER 28 Cb 0.62 -4.48 -0.03 0.00 -1.01 0.00 0.00 64.21 59.30 1ug2 n SER 28 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1ug2 n THR 29 N -4.16 -9.39 0.00 0.44 -1.04 -1.26 -5.03 114.28 93.84 1ug2 n THR 29 Ca -0.03 2.01 0.00 0.00 -2.04 0.00 0.00 64.05 64.00 1ug2 n THR 29 Cb 0.67 -5.24 0.00 0.00 -1.82 0.00 0.00 70.33 63.94 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 1.97 1.40 3.45 3.41 0.00 -1.26 -5.12 105.19 109.03 1ug2 n GLY 30 Ca -0.25 0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1ug2 n GLY 30 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ug2 s GLU 31 N 3.81 3.39 -0.05 1.61 2.12 -1.26 -5.06 118.70 123.26 1ug2 s GLU 31 Ca 0.00 -0.68 0.01 0.00 0.36 0.00 0.00 54.97 54.66 1ug2 s GLU 31 Cb 0.00 -3.55 0.02 0.00 0.26 0.00 0.00 34.13 30.86 1ug2 s GLU 31 CO 0.00 -0.39 -0.04 0.21 -0.54 0.00 0.00 175.26 174.50 1ug2 s LYS 32 N 1.62 0.82 -0.02 4.30 2.36 -1.26 -5.00 119.74 122.56 1ug2 s LYS 32 Ca 0.05 -0.09 -0.02 0.00 -2.55 0.00 0.00 55.97 53.35 1ug2 s LYS 32 Cb -0.17 -0.85 0.01 0.00 -1.05 0.00 0.00 37.83 35.77 1ug2 s LYS 32 CO 0.06 -0.10 0.05 0.28 1.55 0.00 0.00 175.35 177.19 1ug2 n VAL 33 N 4.13-12.17 0.00 4.02 0.31 -1.26 -5.01 118.33 108.35 1ug2 n VAL 33 Ca -0.23 2.83 0.00 0.00 -0.01 0.00 0.00 64.34 66.92 1ug2 n VAL 33 Cb 0.51 -5.79 0.00 0.00 -0.91 0.00 0.00 33.84 27.65 1ug2 n VAL 33 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1ug2 n VAL 34 N 1.86 0.00 0.23 2.52 3.14 -1.26 -5.05 118.33 119.78 1ug2 n VAL 34 Ca -0.08 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.30 1ug2 n VAL 34 Cb 0.12 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.90 1ug2 n VAL 34 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 1ug2 n LEU 35 N -1.62 -3.86 -4.94 6.55 0.00 -1.26 -5.13 117.00 106.74 1ug2 n LEU 35 Ca 0.00 0.89 -0.24 0.00 0.00 0.00 0.00 56.01 56.65 1ug2 n LEU 35 Cb 0.00 3.60 -0.02 0.00 0.00 0.00 0.00 43.42 47.00 1ug2 n LEU 35 CO 0.00 0.19 0.14 0.26 0.00 0.00 0.00 177.39 177.98 1ug2 s TRP 36 N -1.98 3.49 0.58 1.96 0.52 -1.26 -5.11 118.94 117.14 1ug2 s TRP 36 Ca 0.00 0.34 0.03 0.00 0.02 0.00 0.00 56.10 56.49 1ug2 s TRP 36 Cb 0.00 -1.88 0.11 0.00 -1.15 0.00 0.00 33.47 30.55 1ug2 s TRP 36 CO 0.00 0.18 0.80 0.25 0.02 0.00 0.00 176.95 178.20 1ug2 n THR 37 N -1.57 0.00 -0.03 2.01 -2.24 -1.26 -4.53 114.28 106.66 1ug2 n THR 37 Ca -0.05 -1.46 -0.00 0.00 -2.27 0.00 0.00 64.05 60.26 1ug2 n THR 37 Cb 0.56 -0.83 -0.00 0.00 -2.10 0.00 0.00 70.33 67.96 1ug2 n THR 37 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1ug2 h ARG 38 N 0.00 0.00 -0.87 -0.78 9.65 -1.98 -2.56 114.38 117.84 1ug2 h ARG 38 Ca -0.27 0.00 0.17 0.00 -1.10 0.00 0.00 59.98 58.78 1ug2 h ARG 38 Cb 1.06 0.00 -0.16 0.00 -1.39 0.00 0.00 29.97 29.48 1ug2 h ARG 38 CO 0.31 0.00 -0.26 0.93 2.80 0.00 0.00 179.97 183.75 1ug2 h GLU 39 N -0.58 -0.02 -0.83 0.20 4.39 -1.97 1.73 114.58 117.51 1ug2 h GLU 39 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1ug2 h GLU 39 Cb 0.05 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.67 1ug2 h GLU 39 CO 0.00 -0.01 0.42 0.00 -1.16 0.00 0.00 179.01 178.26 1ug2 h ALA 40 N 1.71 1.07 -0.45 3.43 0.00 -1.99 1.20 119.26 124.23 1ug2 h ALA 40 Ca 0.39 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1ug2 h ALA 40 Cb 0.63 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1ug2 h ALA 40 CO -0.90 0.61 0.14 -0.44 0.00 0.00 0.00 179.25 178.66 1ug2 h ASP 41 N 1.17 0.65 0.04 0.00 5.19 0.16 -2.30 116.42 121.32 1ug2 h ASP 41 Ca 0.29 -0.21 -0.00 0.00 -0.62 0.00 0.00 57.03 56.49 1ug2 h ASP 41 Cb 0.08 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.42 1ug2 h ASP 41 CO -0.04 0.68 -0.02 0.03 -3.12 0.00 0.00 179.24 176.78 1ug2 h ARG 42 N 0.58 -0.05 -0.93 3.56 3.08 0.26 -3.10 114.38 117.79 1ug2 h ARG 42 Ca 0.14 0.00 0.26 0.00 0.07 0.00 0.00 59.98 60.46 1ug2 h ARG 42 Cb 0.27 0.01 -0.16 0.00 0.08 0.00 0.00 29.97 30.17 1ug2 h ARG 42 CO -0.00 0.40 0.17 0.28 -1.07 0.00 0.00 179.97 179.75 1ug2 h VAL 43 N -0.52 0.17 0.36 2.04 2.07 0.15 1.47 116.25 122.00 1ug2 h VAL 43 Ca -0.01 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 1ug2 h VAL 43 Cb 0.47 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 1ug2 h VAL 43 CO 0.01 0.02 -0.48 0.40 0.02 0.00 0.00 177.57 177.54 1ug2 h ILE 44 N 0.10 0.06 -0.28 4.57 2.04 -1.34 1.37 117.51 124.03 1ug2 h ILE 44 Ca 0.59 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.46 1ug2 h ILE 44 Cb 1.26 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1ug2 h ILE 44 CO -0.77 0.00 0.18 -0.07 0.00 0.00 0.00 178.15 177.49 1ug2 h LEU 45 N -0.88 0.31 0.26 1.44 3.38 -0.36 0.89 115.31 120.36 1ug2 h LEU 45 Ca -0.03 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1ug2 h LEU 45 Cb 0.80 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 1ug2 h LEU 45 CO -0.14 0.23 -0.45 0.74 0.09 0.00 0.00 178.44 178.92 1ug2 h THR 46 N 0.37 0.12 0.05 0.22 2.02 0.23 1.46 112.91 117.38 1ug2 h THR 46 Ca 0.10 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.28 1ug2 h THR 46 Cb -0.04 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.49 1ug2 h THR 46 CO -0.03 0.00 -0.02 0.24 0.37 0.00 0.00 175.52 176.08 1ug2 h MET 47 N -0.78 -0.06 0.00 6.66 2.86 0.20 0.96 114.93 124.77 1ug2 h MET 47 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1ug2 h MET 47 Cb 0.74 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.42 1ug2 h MET 47 CO -0.17 0.04 0.00 0.00 1.06 0.00 0.00 176.91 177.84 1ug2 n GLN 49 N -2.24 0.25 0.52 0.00 -0.06 0.50 0.18 117.38 116.53 1ug2 n GLN 49 Ca -0.00 0.39 -0.21 0.00 -2.00 0.00 0.00 57.00 55.18 1ug2 n GLN 49 Cb 0.10 -1.26 -0.10 0.00 -4.06 0.00 0.00 30.24 24.92 1ug2 n GLN 49 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 1ug2 h GLU 50 N -0.55 -1.28 -0.06 3.69 4.57 1.00 -3.12 114.58 118.83 1ug2 h GLU 50 Ca 0.00 0.09 -0.17 0.00 -1.18 0.00 0.00 59.36 58.10 1ug2 h GLU 50 Cb 0.29 0.29 -0.01 0.00 -0.16 0.00 0.00 28.75 29.16 1ug2 h GLU 50 CO 0.00 -0.85 -0.71 1.96 -1.18 0.00 0.00 179.01 178.22 1ug2 h GLN 51 N -1.33 0.29 0.00 1.92 1.08 -0.61 -3.50 115.11 112.96 1ug2 h GLN 51 Ca -0.13 -0.24 0.00 0.00 -1.45 0.00 0.00 58.65 56.83 1ug2 h GLN 51 Cb 1.03 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.51 1ug2 h GLN 51 CO 0.21 0.89 0.00 0.41 -0.95 0.00 0.00 178.83 179.39 1ug2 n GLY 52 N 0.52 2.94 2.37 3.46 0.00 -0.34 -4.80 105.19 109.34 1ug2 n GLY 52 Ca -0.03 -1.74 -0.26 0.00 0.00 0.00 0.00 46.02 43.98 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 0.13 6.06 -1.92 4.61 0.00 0.48 -4.11 120.51 125.76 1ug2 n ALA 53 Ca 0.00 -2.52 -0.28 0.00 0.00 0.00 0.00 53.44 50.64 1ug2 n ALA 53 Cb 0.00 -3.01 0.08 0.00 0.00 0.00 0.00 19.45 16.52 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 2.44 2.17 -0.08 0.00 1.11 -1.26 -5.02 119.66 119.02 1ug2 s GLN 54 Ca 0.55 -0.00 -0.27 0.00 0.01 0.00 0.00 55.36 55.65 1ug2 s GLN 54 Cb 0.17 -2.05 -0.23 0.00 -1.01 0.00 0.00 33.01 29.89 1ug2 s GLN 54 CO -0.04 -1.38 1.02 -1.00 0.01 0.00 0.00 175.29 173.91 1ug2 h PRO 55 N -0.82 0.03 -0.26 2.91 0.13 -2.00 -3.26 132.00 128.73 1ug2 h PRO 55 Ca -0.45 -0.02 -0.13 0.00 -0.87 0.00 0.00 66.00 64.52 1ug2 h PRO 55 Cb 1.32 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 1ug2 h PRO 55 CO 0.63 0.77 -0.38 0.45 -0.23 0.00 0.00 178.00 179.24 1ug2 h HIS 56 N -0.71 0.71 -0.88 1.56 3.86 -1.97 -3.02 115.15 114.69 1ug2 h HIS 56 Ca -0.00 -0.20 0.24 0.00 -1.16 0.00 0.00 60.37 59.25 1ug2 h HIS 56 Cb 0.78 -0.15 -0.14 0.00 1.06 0.00 0.00 27.41 28.95 1ug2 h HIS 56 CO 0.19 0.89 0.24 1.15 0.86 0.00 0.00 177.93 181.26 1ug2 h THR 57 N 0.50 0.30 -0.10 2.45 2.02 -1.88 1.44 112.91 117.64 1ug2 h THR 57 Ca 0.05 -0.07 0.03 0.00 0.77 0.00 0.00 66.41 67.19 1ug2 h THR 57 Cb 0.88 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1ug2 h THR 57 CO 0.08 0.04 0.48 -0.26 0.37 0.00 0.00 175.52 176.23 1ug2 h PHE 58 N 0.20 0.00 0.00 3.16 0.04 -1.57 1.43 116.94 120.20 1ug2 h PHE 58 Ca 0.56 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.33 1ug2 h PHE 58 Cb 1.14 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.29 1ug2 h PHE 58 CO -0.26 0.00 0.00 1.03 -0.60 0.00 0.00 178.31 178.48 1ug2 h SER 59 N 0.00 0.00 0.00 2.17 0.87 0.18 -2.23 113.55 114.54 1ug2 h SER 59 Ca 0.05 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1ug2 h SER 59 Cb 1.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 1ug2 h SER 59 CO -0.00 0.00 0.00 0.52 -0.53 0.00 0.00 176.83 176.82 1ug2 n VAL 60 N -2.51 0.00 -0.32 2.23 0.31 0.49 -3.62 118.33 114.90 1ug2 n VAL 60 Ca 0.02 0.36 0.10 0.00 -0.01 0.00 0.00 64.34 64.82 1ug2 n VAL 60 Cb 0.27 -1.12 0.23 0.00 -0.91 0.00 0.00 33.84 32.31 1ug2 n VAL 60 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1ug2 h ILE 61 N 0.00 0.12 -0.89 2.52 2.04 -1.64 0.77 117.51 120.43 1ug2 h ILE 61 Ca 0.00 -0.01 0.19 0.00 1.00 0.00 0.00 64.86 66.03 1ug2 h ILE 61 Cb 0.00 0.07 -0.17 0.00 -0.74 0.00 0.00 36.82 35.99 1ug2 h ILE 61 CO 0.00 0.01 -0.18 -1.28 0.00 0.00 0.00 178.15 176.70 1ug2 h SER 62 N 0.04 -0.76 -0.23 1.72 0.87 -1.57 0.87 113.55 114.49 1ug2 h SER 62 Ca 0.52 0.26 -0.17 0.00 -1.23 0.00 0.00 61.79 61.18 1ug2 h SER 62 Cb 1.00 0.53 -0.00 0.00 -0.44 0.00 0.00 62.40 63.48 1ug2 h SER 62 CO -0.86 -0.29 -0.49 1.56 -0.53 0.00 0.00 176.83 176.22 1ug2 h GLN 63 N 0.01 0.81 -0.72 2.24 4.20 0.41 -2.98 115.11 119.08 1ug2 h GLN 63 Ca 0.44 -0.48 0.05 0.00 0.06 0.00 0.00 58.65 58.72 1ug2 h GLN 63 Cb 0.71 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.48 1ug2 h GLN 63 CO -0.90 1.11 0.43 1.96 -0.67 0.00 0.00 178.83 180.76 1ug2 h GLN 64 N 0.64 0.78 0.07 1.46 4.20 0.20 -2.33 115.11 120.14 1ug2 h GLN 64 Ca 0.03 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.71 1ug2 h GLN 64 Cb 1.07 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.65 1ug2 h GLN 64 CO 0.11 0.52 -0.15 -0.07 -0.67 0.00 0.00 178.83 178.56 1ug2 h LEU 65 N 0.80 -0.43 0.00 1.46 3.38 0.44 -3.48 115.31 117.49 1ug2 h LEU 65 Ca 0.31 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1ug2 h LEU 65 Cb 0.12 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1ug2 h LEU 65 CO -0.15 -0.22 0.00 0.61 0.09 0.00 0.00 178.44 178.77 1ug2 n GLY 66 N -1.28 0.86 0.00 0.83 0.00 -0.88 -4.84 105.19 99.89 1ug2 n GLY 66 Ca -0.06 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1ug2 n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ug2 n ASN 67 N 0.00 1.17 -4.65 1.61 4.13 -1.26 -4.79 115.26 111.47 1ug2 n ASN 67 Ca 0.00 -1.41 -0.30 0.00 1.68 0.00 0.00 54.58 54.54 1ug2 n ASN 67 Cb 0.00 0.00 0.17 0.00 -1.54 0.00 0.00 39.78 38.41 1ug2 n ASN 67 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1ug2 s LYS 68 N -0.41 0.81 0.31 3.52 2.47 -1.19 -5.04 119.74 120.22 1ug2 s LYS 68 Ca 0.00 1.29 0.09 0.00 -1.56 0.00 0.00 55.97 55.79 1ug2 s LYS 68 Cb 0.00 -1.72 -0.05 0.00 -1.46 0.00 0.00 37.83 34.60 1ug2 s LYS 68 CO 0.00 -2.68 -0.00 0.95 0.16 0.00 0.00 175.35 173.77 1ug2 s THR 69 N -2.67 2.88 -0.45 3.43 -4.23 -1.26 -4.39 115.64 108.94 1ug2 s THR 69 Ca 0.66 -1.97 0.26 0.00 -1.18 0.00 0.00 61.69 59.46 1ug2 s THR 69 Cb -0.22 -2.78 0.30 0.00 1.34 0.00 0.00 72.50 71.15 1ug2 s THR 69 CO 0.59 -0.27 1.77 1.55 -0.54 0.00 0.00 174.62 177.72 1ug2 h PRO 70 N 1.85 0.00 0.13 3.99 0.13 -1.92 -0.53 132.00 135.64 1ug2 h PRO 70 Ca -0.43 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.43 1ug2 h PRO 70 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1ug2 h PRO 70 CO 0.64 0.00 -1.25 -0.24 -0.23 0.00 0.00 178.00 176.92 1ug2 h VAL 71 N 0.00 1.50 0.17 1.56 3.04 -1.95 -3.03 116.25 117.54 1ug2 h VAL 71 Ca 0.00 -3.06 -0.27 0.00 -1.01 0.00 0.00 66.70 62.36 1ug2 h VAL 71 Cb 0.62 2.94 0.02 0.00 -2.01 0.00 0.00 31.29 32.86 1ug2 h VAL 71 CO 0.00 0.89 -1.23 -0.33 -1.01 0.00 0.00 177.57 175.89 1ug2 h GLU 72 N 0.07 0.37 -0.99 4.17 4.39 -1.93 -3.04 114.58 117.62 1ug2 h GLU 72 Ca -0.14 -0.62 0.15 0.00 0.34 0.00 0.00 59.36 59.09 1ug2 h GLU 72 Cb 1.97 0.23 -0.09 0.00 -0.10 0.00 0.00 28.75 30.76 1ug2 h GLU 72 CO 0.20 1.30 0.60 0.28 -1.16 0.00 0.00 179.01 180.24 1ug2 h VAL 73 N -0.16 0.83 -0.35 3.13 2.07 -1.21 0.27 116.25 120.82 1ug2 h VAL 73 Ca -0.23 -0.30 -0.12 0.00 0.82 0.00 0.00 66.70 66.86 1ug2 h VAL 73 Cb 1.87 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1ug2 h VAL 73 CO 0.17 0.16 -0.27 -1.28 0.02 0.00 0.00 177.57 176.37 1ug2 h SER 74 N 0.88 0.76 0.05 0.57 0.87 -1.61 -0.23 113.55 114.83 1ug2 h SER 74 Ca 0.52 -0.29 -0.07 0.00 -1.23 0.00 0.00 61.79 60.73 1ug2 h SER 74 Cb 0.64 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 1ug2 h SER 74 CO -0.31 0.99 -0.20 0.45 -0.53 0.00 0.00 176.83 177.23 1ug2 h HIS 75 N 0.63 0.29 0.00 2.24 -0.00 -0.49 0.16 115.15 117.99 1ug2 h HIS 75 Ca 0.08 -0.05 -0.19 0.00 -0.00 0.00 0.00 60.37 60.21 1ug2 h HIS 75 Cb 0.78 -0.08 -0.03 0.00 -0.00 0.00 0.00 27.41 28.09 1ug2 h HIS 75 CO 0.04 0.46 -0.93 -0.09 -0.00 0.00 0.00 177.93 177.41 1ug2 h ARG 76 N 0.25 0.00 -0.03 2.45 9.65 -0.28 -2.67 114.38 123.75 1ug2 h ARG 76 Ca 0.05 -0.01 -0.15 0.00 -1.10 0.00 0.00 59.98 58.77 1ug2 h ARG 76 Cb 0.50 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.09 1ug2 h ARG 76 CO 0.03 0.93 -0.56 0.35 2.80 0.00 0.00 179.97 183.51 1ug2 h PHE 77 N 0.00 0.62 0.00 2.20 3.57 -0.41 -1.48 116.94 121.44 1ug2 h PHE 77 Ca -0.01 -0.32 -0.04 0.00 3.53 0.00 0.00 57.97 61.14 1ug2 h PHE 77 Cb 1.64 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 40.29 1ug2 h PHE 77 CO 0.00 1.12 -0.17 0.07 -2.23 0.00 0.00 178.31 177.11 1ug2 h ARG 78 N -0.06 0.00 0.16 1.11 -0.00 -0.78 -2.37 114.38 112.45 1ug2 h ARG 78 Ca -0.06 0.00 -0.21 0.00 -0.00 0.00 0.00 59.98 59.70 1ug2 h ARG 78 Cb 1.26 0.00 0.03 0.00 -0.00 0.00 0.00 29.97 31.25 1ug2 h ARG 78 CO 0.11 0.17 -0.94 0.93 -0.00 0.00 0.00 179.97 180.24 1ug2 h GLU 79 N 0.00 0.35 0.25 0.08 4.39 -1.44 -2.97 114.58 115.23 1ug2 h GLU 79 Ca -0.00 -0.59 0.01 0.00 0.34 0.00 0.00 59.36 59.12 1ug2 h GLU 79 Cb 0.49 0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 29.33 1ug2 h GLU 79 CO 0.02 1.28 -0.35 -0.07 -1.16 0.00 0.00 179.01 178.74 1ug2 h LEU 80 N -0.28 -0.97 -0.67 1.33 3.38 -1.01 0.18 115.31 117.28 1ug2 h LEU 80 Ca -0.16 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1ug2 h LEU 80 Cb 1.74 0.34 0.00 0.00 0.09 0.00 0.00 40.66 42.83 1ug2 h LEU 80 CO 0.18 -0.46 0.00 0.23 0.09 0.00 0.00 178.44 178.48 1ug2 n MET 81 N -5.44 0.08 -0.05 1.13 2.81 -0.92 -2.56 117.12 112.18 1ug2 n MET 81 Ca -0.08 0.51 -0.01 0.00 -1.81 0.00 0.00 57.70 56.31 1ug2 n MET 81 Cb 0.35 -1.74 -0.01 0.00 -0.71 0.00 0.00 33.22 31.12 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 -0.01 -0.85 0.03 4.15 -0.55 -3.01 115.11 114.87 1ug2 h GLN 82 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.50 1ug2 h GLN 82 Cb 0.09 0.00 -0.11 0.00 0.21 0.00 0.00 27.48 27.67 1ug2 h GLN 82 CO 0.00 0.05 -0.53 -0.07 -1.93 0.00 0.00 178.83 176.35 1ug2 h LEU 83 N -1.00 -1.94 -0.38 -2.39 3.38 -0.84 0.17 115.31 112.30 1ug2 h LEU 83 Ca -0.00 0.29 0.08 0.00 0.09 0.00 0.00 57.88 58.34 1ug2 h LEU 83 Cb 0.06 0.85 -0.09 0.00 0.09 0.00 0.00 40.66 41.58 1ug2 h LEU 83 CO 0.00 -0.23 -0.33 -0.26 0.09 0.00 0.00 178.44 177.72 1ug2 h PHE 84 N -0.04 -0.90 -0.47 1.13 0.04 -1.71 -2.24 116.94 112.75 1ug2 h PHE 84 Ca 0.14 0.06 0.04 0.00 2.80 0.00 0.00 57.97 61.01 1ug2 h PHE 84 Cb 0.39 0.45 -0.06 0.00 2.20 0.00 0.00 35.95 38.93 1ug2 h PHE 84 CO -0.99 -0.38 -0.28 1.25 -0.60 0.00 0.00 178.31 177.30 1ug2 h HIS 85 N -0.26 -0.92 -3.31 -0.55 2.76 -0.57 -3.37 115.15 108.94 1ug2 h HIS 85 Ca 0.17 0.06 -0.52 0.00 -2.20 0.00 0.00 60.37 57.88 1ug2 h HIS 85 Cb 0.54 0.46 -0.39 0.00 1.55 0.00 0.00 27.41 29.57 1ug2 h HIS 85 CO -0.53 -0.18 -0.77 0.95 -1.30 0.00 0.00 177.93 176.10 1ug2 s THR 86 N -4.21 0.72 0.00 6.26 -4.23 -0.64 -4.98 115.64 108.55 1ug2 s THR 86 Ca -0.06 -0.52 0.00 0.00 -1.18 0.00 0.00 61.69 59.94 1ug2 s THR 86 Cb 0.05 -1.07 0.00 0.00 1.34 0.00 0.00 72.50 72.82 1ug2 s THR 86 CO 0.30 -0.04 0.00 0.00 -0.54 0.00 0.00 174.62 174.34 1ug2 n ALA 87 N 4.99 2.48 -2.27 3.99 0.00 -1.04 -4.53 120.51 124.12 1ug2 n ALA 87 Ca -0.10 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.30 1ug2 n ALA 87 Cb 0.47 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.93 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 -1.91 3.02 -0.20 0.00 2.12 -1.26 -5.06 118.70 115.42 1ug2 s GLU 89 Ca 0.14 -0.88 -0.04 0.00 0.36 0.00 0.00 54.97 54.55 1ug2 s GLU 89 Cb -0.04 -3.21 0.07 0.00 0.26 0.00 0.00 34.13 31.20 1ug2 s GLU 89 CO 0.44 -0.41 0.08 -1.54 -0.54 0.00 0.00 175.26 173.29 1ug2 s SER 90 N 1.44 2.71 -0.32 -1.70 1.04 -1.26 -5.08 113.70 110.52 1ug2 s SER 90 Ca 0.02 -0.79 0.01 0.00 0.48 0.00 0.00 55.95 55.67 1ug2 s SER 90 Cb -0.17 -0.37 0.15 0.00 0.10 0.00 0.00 66.02 65.72 1ug2 s SER 90 CO -0.00 -0.35 0.33 -0.83 0.98 0.00 0.00 173.24 173.37 1ug2 s GLY 91 N 2.04 -0.13 0.85 7.32 0.00 -1.26 -5.15 107.32 110.99 1ug2 s GLY 91 Ca 0.02 -0.53 -0.12 0.00 0.00 0.00 0.00 44.72 44.10 1ug2 s GLY 91 CO -0.13 2.71 1.12 2.56 0.00 0.00 0.00 173.10 179.36 1ug2 s PRO 92 N 2.03 1.62 0.05 2.90 0.04 -1.26 -5.09 135.00 135.29 1ug2 s PRO 92 Ca 0.12 0.47 0.03 0.00 0.04 0.00 0.00 61.00 61.66 1ug2 s PRO 92 Cb -0.14 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 1ug2 s PRO 92 CO -0.22 -1.90 -0.09 0.45 0.04 0.00 0.00 177.00 175.28 1ug2 s SER 93 N -3.97 1.00 -0.31 6.66 0.15 -1.26 -5.11 113.70 110.87 1ug2 s SER 93 Ca 0.62 -0.59 -0.12 0.00 0.70 0.00 0.00 55.95 56.57 1ug2 s SER 93 Cb -0.15 0.03 0.19 0.00 -1.71 0.00 0.00 66.02 64.38 1ug2 s SER 93 CO 0.54 -0.20 1.09 -0.44 1.20 0.00 0.00 173.24 175.43 1ug2 s SER 94 N -1.68 -0.24 0.00 5.45 0.01 -1.26 -5.37 113.70 110.61 1ug2 s SER 94 Ca -0.08 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.12 1ug2 s SER 94 Cb -0.09 0.59 0.00 0.00 0.21 0.00 0.00 66.02 66.72 1ug2 s SER 94 CO 0.00 -0.03 0.25 0.61 0.41 0.00 0.00 173.24 174.49