#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 4.26 0.05 1.61 0.04 -1.26 -5.01 135.00 134.70 1ug2 s PRO 2 Ca 0.00 1.68 -0.00 0.00 0.04 0.00 0.00 61.00 62.72 1ug2 s PRO 2 Cb 0.00 -3.71 -0.04 0.00 0.04 0.00 0.00 34.50 30.79 1ug2 s PRO 2 CO 0.00 -0.64 -0.04 0.45 0.04 0.00 0.00 177.00 176.81 1ug2 s SER 3 N 1.88 0.55 0.00 6.66 0.15 -1.26 -5.16 113.70 116.52 1ug2 s SER 3 Ca 0.56 -0.93 0.00 0.00 0.70 0.00 0.00 55.95 56.27 1ug2 s SER 3 Cb -0.23 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.25 1ug2 s SER 3 CO 0.17 -0.54 0.00 0.61 1.20 0.00 0.00 173.24 174.68 1ug2 n GLY 4 N 0.29 5.04 3.56 9.45 0.00 -1.26 -5.06 105.19 117.21 1ug2 n GLY 4 Ca -0.15 -1.19 -0.34 0.00 0.00 0.00 0.00 46.02 44.34 1ug2 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ug2 s SER 5 N 1.13 5.80 1.26 1.61 1.04 -1.26 -4.96 113.70 118.32 1ug2 s SER 5 Ca 0.00 -1.01 -0.16 0.00 0.48 0.00 0.00 55.95 55.26 1ug2 s SER 5 Cb 0.00 -2.56 0.32 0.00 0.10 0.00 0.00 66.02 63.87 1ug2 s SER 5 CO 0.00 -2.14 0.99 -0.94 0.98 0.00 0.00 173.24 172.13 1ug2 s SER 6 N 6.52 0.25 0.00 7.02 1.04 -1.26 -4.93 113.70 122.34 1ug2 s SER 6 Ca 0.58 1.29 0.00 0.00 0.48 0.00 0.00 55.95 58.30 1ug2 s SER 6 Cb -0.04 -1.97 0.00 0.00 0.10 0.00 0.00 66.02 64.11 1ug2 s SER 6 CO -0.04 -4.62 0.00 0.61 0.98 0.00 0.00 173.24 170.17 1ug2 n GLY 7 N 0.99 1.19 3.76 7.32 0.00 -1.26 -5.14 105.19 112.05 1ug2 n GLY 7 Ca 0.05 -0.77 -0.24 0.00 0.00 0.00 0.00 46.02 45.06 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 0.00 3.44 0.00 4.61 0.00 -1.26 -5.07 121.76 123.48 1ug2 s ALA 8 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.58 1ug2 s ALA 8 Cb 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 23.12 21.94 1ug2 s ALA 8 CO 0.00 0.38 0.00 0.41 0.00 0.00 0.00 175.76 176.55 1ug2 n GLY 9 N -0.65 -0.41 2.60 0.00 0.00 -1.26 -5.02 105.19 100.45 1ug2 n GLY 9 Ca -0.08 -1.45 -0.27 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.35 3.59 -3.57 4.61 0.00 -1.26 -5.04 120.51 118.49 1ug2 n ALA 10 Ca 0.00 -4.45 -0.07 0.00 0.00 0.00 0.00 53.44 48.92 1ug2 n ALA 10 Cb 0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 18.48 1ug2 n ALA 10 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1ug2 s LEU 11 N -1.79 -0.27 0.56 0.00 0.05 -1.26 -4.43 118.68 111.55 1ug2 s LEU 11 Ca 0.33 0.14 -0.17 0.00 0.05 0.00 0.00 54.13 54.48 1ug2 s LEU 11 Cb 0.07 1.70 -0.05 0.00 -2.05 0.00 0.00 46.19 45.85 1ug2 s LEU 11 CO -0.10 -0.36 1.05 -2.16 -0.55 0.00 0.00 176.35 174.23 1ug2 s PRO 12 N -2.02 3.50 -0.26 1.48 0.04 -1.26 -5.03 135.00 131.45 1ug2 s PRO 12 Ca 0.04 1.21 -0.35 0.00 0.04 0.00 0.00 61.00 61.95 1ug2 s PRO 12 Cb -0.01 -2.06 -0.11 0.00 0.04 0.00 0.00 34.50 32.36 1ug2 s PRO 12 CO -0.04 -0.66 2.06 1.63 0.04 0.00 0.00 177.00 180.03 1ug2 n LYS 13 N -1.73 1.47 -3.99 4.56 4.01 -1.26 -4.91 118.16 116.30 1ug2 n LYS 13 Ca 0.09 0.46 -0.31 0.00 -0.51 0.00 0.00 58.31 58.04 1ug2 n LYS 13 Cb 0.53 -2.56 -0.15 0.00 -0.51 0.00 0.00 35.03 32.34 1ug2 n LYS 13 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1ug2 s ALA 14 N 6.16 2.32 -0.04 7.82 0.00 -1.26 -5.09 121.76 131.67 1ug2 s ALA 14 Ca 1.03 -1.72 -0.09 0.00 0.00 0.00 0.00 51.96 51.18 1ug2 s ALA 14 Cb -0.78 -1.59 0.01 0.00 0.00 0.00 0.00 23.12 20.76 1ug2 s ALA 14 CO 0.50 -1.30 0.21 -1.54 0.00 0.00 0.00 175.76 173.63 1ug2 s SER 15 N 1.21 -0.12 0.22 0.00 1.04 -1.26 -5.08 113.70 109.72 1ug2 s SER 15 Ca -0.04 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.51 1ug2 s SER 15 Cb -0.19 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.26 1ug2 s SER 15 CO -0.07 -0.27 0.00 -0.62 0.98 0.00 0.00 173.24 173.26 1ug2 n GLU 16 N 2.01 -4.79 -3.73 4.02 4.71 -1.26 -5.07 120.64 116.53 1ug2 n GLU 16 Ca -0.19 3.46 -0.13 0.00 -0.01 0.00 0.00 57.16 60.29 1ug2 n GLU 16 Cb 0.57 -3.68 -0.10 0.00 -1.01 0.00 0.00 31.44 27.22 1ug2 n GLU 16 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ug2 s ALA 17 N -0.83 -1.04 -0.09 0.62 0.00 -1.26 -5.16 121.76 114.00 1ug2 s ALA 17 Ca 0.00 1.11 0.03 0.00 0.00 0.00 0.00 51.96 53.10 1ug2 s ALA 17 Cb 0.00 -0.59 0.01 0.00 0.00 0.00 0.00 23.12 22.53 1ug2 s ALA 17 CO 0.00 -0.21 -0.20 0.99 0.00 0.00 0.00 175.76 176.34 1ug2 s THR 18 N 0.02 1.72 0.03 0.00 2.01 -1.26 -5.12 115.64 113.03 1ug2 s THR 18 Ca -0.02 -0.82 -0.13 0.00 0.31 0.00 0.00 61.69 61.03 1ug2 s THR 18 Cb -0.03 -1.51 0.02 0.00 0.01 0.00 0.00 72.50 70.99 1ug2 s THR 18 CO 0.01 0.48 0.28 0.54 -0.69 0.00 0.00 174.62 175.25 1ug2 s VAL 19 N 0.49 0.08 0.28 3.82 0.11 -1.26 -5.17 120.40 118.75 1ug2 s VAL 19 Ca -0.17 -0.66 0.08 0.00 -2.93 0.00 0.00 61.98 58.30 1ug2 s VAL 19 Cb -0.17 -0.83 -0.03 0.00 -1.53 0.00 0.00 36.38 33.81 1ug2 s VAL 19 CO 0.07 -0.36 0.19 0.00 -3.33 0.00 0.00 175.10 171.66 1ug2 n ALA 21 N -1.19 -3.89 0.06 0.00 0.00 -1.26 -4.96 120.51 109.27 1ug2 n ALA 21 Ca -0.06 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.49 1ug2 n ALA 21 Cb 0.59 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1ug2 n ALA 21 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ug2 n ASN 22 N -0.06 -0.00 -4.28 0.00 4.13 -1.26 -5.10 115.26 108.68 1ug2 n ASN 22 Ca 0.03 0.19 -0.35 0.00 1.68 0.00 0.00 54.58 56.12 1ug2 n ASN 22 Cb 0.59 0.13 0.07 0.00 -1.54 0.00 0.00 39.78 39.03 1ug2 n ASN 22 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1ug2 n ASN 23 N -2.95 -3.29 -3.65 6.41 6.94 -1.26 -5.01 115.26 112.45 1ug2 n ASN 23 Ca 0.00 0.37 -0.01 0.00 -0.02 0.00 0.00 54.58 54.92 1ug2 n ASN 23 Cb 0.04 -1.03 -0.07 0.00 -2.36 0.00 0.00 39.78 36.36 1ug2 n ASN 23 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1ug2 s SER 24 N -1.47 -0.05 -0.05 0.53 0.15 -1.26 -5.11 113.70 106.44 1ug2 s SER 24 Ca 0.53 0.09 -0.04 0.00 0.70 0.00 0.00 55.95 57.23 1ug2 s SER 24 Cb -0.26 0.41 0.01 0.00 -1.71 0.00 0.00 66.02 64.48 1ug2 s SER 24 CO 0.70 -0.01 0.08 0.29 1.20 0.00 0.00 173.24 175.49 1ug2 n LYS 25 N 2.09 -3.15 -3.64 5.44 4.01 -1.26 -5.09 118.16 116.56 1ug2 n LYS 25 Ca -0.13 2.51 -0.11 0.00 -0.51 0.00 0.00 58.31 60.07 1ug2 n LYS 25 Cb 0.57 -3.39 -0.07 0.00 -0.51 0.00 0.00 35.03 31.62 1ug2 n LYS 25 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1ug2 s VAL 26 N -0.40 -0.00 -0.15 -0.18 0.11 -1.26 -5.08 120.40 113.44 1ug2 s VAL 26 Ca -0.09 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 58.83 1ug2 s VAL 26 Cb 0.01 -0.97 -0.05 0.00 -1.53 0.00 0.00 36.38 33.84 1ug2 s VAL 26 CO 0.24 0.00 -0.26 -0.24 -3.33 0.00 0.00 175.10 171.51 1ug2 n SER 27 N 3.48 1.73 -2.91 3.54 2.88 -1.26 -5.07 113.62 116.01 1ug2 n SER 27 Ca -0.17 0.41 -0.01 0.00 -1.33 0.00 0.00 58.87 57.76 1ug2 n SER 27 Cb 0.57 -0.76 -0.01 0.00 -0.75 0.00 0.00 64.21 63.25 1ug2 n SER 27 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1ug2 n SER 28 N -4.33 -5.61 -4.65 -3.46 3.41 -1.26 -4.98 113.62 92.73 1ug2 n SER 28 Ca -0.11 1.03 -0.32 0.00 -0.26 0.00 0.00 58.87 59.21 1ug2 n SER 28 Cb 0.39 -3.36 -0.09 0.00 -0.26 0.00 0.00 64.21 60.89 1ug2 n SER 28 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1ug2 s THR 29 N -0.79 3.93 0.00 6.66 2.01 -1.26 -4.94 115.64 121.26 1ug2 s THR 29 Ca -0.07 -0.72 0.00 0.00 0.31 0.00 0.00 61.69 61.20 1ug2 s THR 29 Cb 0.00 -2.75 0.00 0.00 0.01 0.00 0.00 72.50 69.76 1ug2 s THR 29 CO 0.38 0.35 0.00 0.61 -0.69 0.00 0.00 174.62 175.27 1ug2 n GLY 30 N 1.35 0.74 2.37 4.40 0.00 -1.26 -4.86 105.19 107.92 1ug2 n GLY 30 Ca -0.14 -1.19 -0.01 0.00 0.00 0.00 0.00 46.02 44.68 1ug2 n GLY 30 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ug2 n GLU 31 N 0.00 -4.91 -1.54 1.61 4.71 -1.26 -4.96 120.64 114.29 1ug2 n GLU 31 Ca 0.00 3.61 -0.31 0.00 -0.01 0.00 0.00 57.16 60.44 1ug2 n GLU 31 Cb 0.00 -4.70 0.06 0.00 -1.01 0.00 0.00 31.44 25.79 1ug2 n GLU 31 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 1ug2 s LYS 32 N -0.67 2.77 -0.30 3.49 2.20 -1.26 -5.06 119.74 120.90 1ug2 s LYS 32 Ca -0.07 1.07 -0.07 0.00 -0.36 0.00 0.00 55.97 56.53 1ug2 s LYS 32 Cb 0.00 -1.96 0.16 0.00 -1.51 0.00 0.00 37.83 34.53 1ug2 s LYS 32 CO 0.20 -1.24 0.71 0.54 -0.36 0.00 0.00 175.35 175.20 1ug2 s VAL 33 N -2.90 -0.88 -0.40 4.02 0.11 -1.26 -5.05 120.40 114.03 1ug2 s VAL 33 Ca 0.60 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.71 1ug2 s VAL 33 Cb -0.15 -1.00 0.32 0.00 -1.53 0.00 0.00 36.38 34.01 1ug2 s VAL 33 CO 0.53 0.00 1.24 0.55 -3.33 0.00 0.00 175.10 174.09 1ug2 n VAL 34 N 5.39 0.00 0.06 2.04 3.14 -1.26 -4.98 118.33 122.72 1ug2 n VAL 34 Ca -0.06 -1.30 0.00 0.00 -2.96 0.00 0.00 64.34 60.01 1ug2 n VAL 34 Cb 0.51 1.14 0.00 0.00 -1.06 0.00 0.00 33.84 34.43 1ug2 n VAL 34 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1ug2 n LEU 35 N -0.11 -1.06 -4.88 6.55 4.77 -1.26 -5.13 117.00 115.88 1ug2 n LEU 35 Ca -0.03 0.31 -0.32 0.00 -0.03 0.00 0.00 56.01 55.95 1ug2 n LEU 35 Cb 0.76 1.23 -0.05 0.00 -2.33 0.00 0.00 43.42 43.03 1ug2 n LEU 35 CO -0.04 -0.09 0.18 0.26 -1.33 0.00 0.00 177.39 176.37 1ug2 s TRP 36 N -2.00 3.44 -0.08 -1.77 0.52 -1.26 -5.07 118.94 112.72 1ug2 s TRP 36 Ca 0.00 0.79 -0.15 0.00 0.02 0.00 0.00 56.10 56.76 1ug2 s TRP 36 Cb 0.00 -2.19 -0.05 0.00 -1.15 0.00 0.00 33.47 30.08 1ug2 s TRP 36 CO 0.00 0.29 0.39 0.99 0.02 0.00 0.00 176.95 178.64 1ug2 s THR 37 N -1.81 5.17 0.10 2.01 2.01 -1.26 -4.99 115.64 116.86 1ug2 s THR 37 Ca 0.46 0.77 -0.25 0.00 0.31 0.00 0.00 61.69 62.98 1ug2 s THR 37 Cb -0.11 -3.71 -0.08 0.00 0.01 0.00 0.00 72.50 68.61 1ug2 s THR 37 CO 0.23 0.46 1.41 -0.09 -0.69 0.00 0.00 174.62 175.93 1ug2 h ARG 38 N 5.82 -0.30 -0.97 4.92 9.65 -1.97 0.22 114.38 131.74 1ug2 h ARG 38 Ca -0.46 0.02 0.18 0.00 -1.10 0.00 0.00 59.98 58.62 1ug2 h ARG 38 Cb 1.19 0.07 -0.18 0.00 -1.39 0.00 0.00 29.97 29.67 1ug2 h ARG 38 CO 0.69 -0.20 -0.29 0.39 2.80 0.00 0.00 179.97 183.36 1ug2 n GLU 39 N -4.69 -0.13 -0.22 0.20 -0.58 -1.26 0.19 120.64 114.15 1ug2 n GLU 39 Ca -0.03 1.51 -0.05 0.00 -0.42 0.00 0.00 57.16 58.17 1ug2 n GLU 39 Cb 0.26 -2.25 0.05 0.00 -0.57 0.00 0.00 31.44 28.93 1ug2 n GLU 39 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ug2 h ALA 40 N 1.74 0.80 -0.74 0.62 0.00 -1.48 1.46 119.26 121.66 1ug2 h ALA 40 Ca 0.42 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.25 1ug2 h ALA 40 Cb 0.67 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1ug2 h ALA 40 CO -0.99 0.17 0.27 -0.44 0.00 0.00 0.00 179.25 178.26 1ug2 h ASP 41 N 0.80 1.04 0.19 0.00 5.19 0.52 -2.30 116.42 121.85 1ug2 h ASP 41 Ca 0.24 -0.17 -0.01 0.00 -0.62 0.00 0.00 57.03 56.47 1ug2 h ASP 41 Cb -0.03 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.21 1ug2 h ASP 41 CO -0.08 0.94 -0.09 0.03 -3.12 0.00 0.00 179.24 176.93 1ug2 h ARG 42 N 1.09 -0.24 -0.95 3.56 2.47 0.27 -2.98 114.38 117.60 1ug2 h ARG 42 Ca 0.24 0.02 0.09 0.00 -1.26 0.00 0.00 59.98 59.07 1ug2 h ARG 42 Cb 0.25 0.06 -0.12 0.00 -1.65 0.00 0.00 29.97 28.51 1ug2 h ARG 42 CO -0.01 0.16 -0.57 0.28 0.56 0.00 0.00 179.97 180.39 1ug2 h VAL 43 N -0.81 0.00 -0.58 2.04 2.07 0.21 0.56 116.25 119.73 1ug2 h VAL 43 Ca -0.03 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.60 1ug2 h VAL 43 Cb 0.52 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.18 1ug2 h VAL 43 CO 0.04 0.00 -0.31 0.40 0.02 0.00 0.00 177.57 177.73 1ug2 h ILE 44 N -0.03 0.20 -0.78 4.57 2.04 -1.49 1.80 117.51 123.82 1ug2 h ILE 44 Ca 0.16 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.23 1ug2 h ILE 44 Cb 0.44 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 1ug2 h ILE 44 CO -0.91 0.00 0.55 -0.07 0.00 0.00 0.00 178.15 177.72 1ug2 h LEU 45 N -0.15 0.11 0.00 1.44 3.38 0.11 1.46 115.31 121.67 1ug2 h LEU 45 Ca 0.24 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 1ug2 h LEU 45 Cb 0.54 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1ug2 h LEU 45 CO -0.67 0.05 -0.17 0.74 0.09 0.00 0.00 178.44 178.48 1ug2 h THR 46 N 0.11 0.97 0.31 0.22 2.02 0.49 -3.02 112.91 114.02 1ug2 h THR 46 Ca 0.38 -1.78 -0.01 0.00 0.77 0.00 0.00 66.41 65.76 1ug2 h THR 46 Cb 1.34 1.89 -0.00 0.00 -1.74 0.00 0.00 68.15 69.64 1ug2 h THR 46 CO -0.05 0.33 -0.17 0.24 0.37 0.00 0.00 175.52 176.24 1ug2 h MET 47 N -1.00 -0.44 0.00 6.66 2.86 0.29 1.51 114.93 124.81 1ug2 h MET 47 Ca -0.04 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1ug2 h MET 47 Cb 0.66 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.42 1ug2 h MET 47 CO -0.02 -0.29 0.05 0.00 1.06 0.00 0.00 176.91 177.71 1ug2 n GLN 49 N -2.76 0.16 0.29 0.00 7.27 -0.09 0.18 117.38 122.43 1ug2 n GLN 49 Ca -0.02 0.35 -0.18 0.00 0.07 0.00 0.00 57.00 57.21 1ug2 n GLN 49 Cb 0.11 -1.08 -0.10 0.00 2.41 0.00 0.00 30.24 31.57 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 -0.36 -0.97 -0.06 3.69 4.81 0.22 -2.81 114.58 119.10 1ug2 h GLU 50 Ca 0.00 0.07 -0.17 0.00 -0.13 0.00 0.00 59.36 59.13 1ug2 h GLU 50 Cb 0.18 0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1ug2 h GLU 50 CO 0.00 -0.64 -0.70 1.96 -0.73 0.00 0.00 179.01 178.90 1ug2 h GLN 51 N -1.00 0.30 0.00 1.92 4.20 -0.37 -3.50 115.11 116.66 1ug2 h GLN 51 Ca -0.06 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.41 1ug2 h GLN 51 Cb 0.88 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.70 1ug2 h GLN 51 CO -0.08 0.88 0.00 0.41 -0.67 0.00 0.00 178.83 179.38 1ug2 n GLY 52 N 0.48 2.71 3.58 3.46 0.00 -0.51 -4.86 105.19 110.05 1ug2 n GLY 52 Ca -0.03 -1.69 -0.27 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 s ALA 53 N -1.71 1.72 0.16 4.61 0.00 0.48 -4.36 121.76 122.67 1ug2 s ALA 53 Ca 0.00 -2.04 0.07 0.00 0.00 0.00 0.00 51.96 49.99 1ug2 s ALA 53 Cb 0.00 -4.66 -0.04 0.00 0.00 0.00 0.00 23.12 18.42 1ug2 s ALA 53 CO 0.00 -5.25 -0.15 1.14 0.00 0.00 0.00 175.76 171.50 1ug2 s GLN 54 N 6.63 1.20 0.09 0.00 -2.07 -1.26 -5.02 119.66 119.22 1ug2 s GLN 54 Ca 0.69 -1.43 0.23 0.00 -1.82 0.00 0.00 55.36 53.03 1ug2 s GLN 54 Cb -0.02 -1.07 0.92 0.00 -1.09 0.00 0.00 33.01 31.76 1ug2 s GLN 54 CO 0.12 0.19 1.72 -0.35 -1.32 0.00 0.00 175.29 175.65 1ug2 n PRO 55 N 0.08 0.08 0.11 9.60 -0.04 -1.26 -2.23 135.00 141.34 1ug2 n PRO 55 Ca -0.12 0.19 0.12 0.00 -0.04 0.00 0.00 63.50 63.66 1ug2 n PRO 55 Cb 0.59 -1.62 0.17 0.00 -0.04 0.00 0.00 33.50 32.59 1ug2 n PRO 55 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ug2 h HIS 56 N 0.00 0.00 0.15 0.54 3.86 -1.95 -3.33 115.15 114.42 1ug2 h HIS 56 Ca 0.00 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 58.91 1ug2 h HIS 56 Cb 0.44 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.92 1ug2 h HIS 56 CO 0.00 0.00 -1.49 1.15 0.86 0.00 0.00 177.93 178.45 1ug2 h THR 57 N 0.00 1.04 -0.26 2.45 2.02 -1.75 -3.31 112.91 113.10 1ug2 h THR 57 Ca 0.00 -2.46 0.07 0.00 0.77 0.00 0.00 66.41 64.80 1ug2 h THR 57 Cb 0.86 2.78 -0.01 0.00 -1.74 0.00 0.00 68.15 70.04 1ug2 h THR 57 CO 0.00 0.76 0.62 -0.26 0.37 0.00 0.00 175.52 177.01 1ug2 h PHE 58 N -0.15 0.00 0.00 3.16 0.04 -1.64 1.49 116.94 119.84 1ug2 h PHE 58 Ca -0.31 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.39 1ug2 h PHE 58 Cb 1.88 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 40.02 1ug2 h PHE 58 CO 0.12 0.00 -0.34 1.03 -0.60 0.00 0.00 178.31 178.52 1ug2 h SER 59 N 0.00 0.00 0.03 2.17 0.87 -1.72 -1.10 113.55 113.80 1ug2 h SER 59 Ca 0.12 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.46 1ug2 h SER 59 Cb 1.35 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.29 1ug2 h SER 59 CO -0.00 0.34 -1.18 1.62 -0.53 0.00 0.00 176.83 177.09 1ug2 h VAL 60 N 0.00 1.02 -0.62 2.23 3.04 0.19 -3.32 116.25 118.79 1ug2 h VAL 60 Ca -0.00 -2.24 0.12 0.00 -1.01 0.00 0.00 66.70 63.56 1ug2 h VAL 60 Cb 0.70 2.47 -0.09 0.00 -2.01 0.00 0.00 31.29 32.36 1ug2 h VAL 60 CO 0.04 0.45 0.11 0.40 -1.01 0.00 0.00 177.57 177.57 1ug2 h ILE 61 N -0.82 0.60 -0.77 3.17 2.04 -1.35 0.59 117.51 120.98 1ug2 h ILE 61 Ca -0.30 -0.08 0.16 0.00 1.00 0.00 0.00 64.86 65.63 1ug2 h ILE 61 Cb 1.39 0.34 -0.10 0.00 -0.74 0.00 0.00 36.82 37.71 1ug2 h ILE 61 CO -0.12 0.04 0.29 -1.28 0.00 0.00 0.00 178.15 177.09 1ug2 h SER 62 N 0.24 0.24 -0.14 1.72 0.87 -1.35 0.67 113.55 115.80 1ug2 h SER 62 Ca 0.33 0.12 -0.13 0.00 -1.23 0.00 0.00 61.79 60.88 1ug2 h SER 62 Cb 0.51 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 1ug2 h SER 62 CO -0.43 0.07 -0.41 1.56 -0.53 0.00 0.00 176.83 177.08 1ug2 h GLN 63 N 0.41 0.52 -0.61 2.24 4.20 -0.82 -2.05 115.11 119.00 1ug2 h GLN 63 Ca 0.44 -0.38 0.05 0.00 0.06 0.00 0.00 58.65 58.82 1ug2 h GLN 63 Cb 0.70 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.51 1ug2 h GLN 63 CO -0.44 1.00 0.41 1.96 -0.67 0.00 0.00 178.83 181.08 1ug2 h GLN 64 N 0.14 0.61 0.04 1.46 1.08 0.16 -2.21 115.11 116.39 1ug2 h GLN 64 Ca -0.01 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1ug2 h GLN 64 Cb 1.03 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.33 1ug2 h GLN 64 CO 0.09 0.40 -0.02 -0.07 -0.95 0.00 0.00 178.83 178.28 1ug2 h LEU 65 N 0.63 -0.05 0.00 1.46 3.38 0.35 -3.49 115.31 117.59 1ug2 h LEU 65 Ca 0.26 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1ug2 h LEU 65 Cb 0.23 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1ug2 h LEU 65 CO -0.08 0.46 0.00 0.61 0.09 0.00 0.00 178.44 179.53 1ug2 n GLY 66 N 0.30 1.96 0.00 0.83 0.00 -0.78 -4.78 105.19 102.72 1ug2 n GLY 66 Ca -0.09 -0.40 0.04 0.00 0.00 0.00 0.00 46.02 45.57 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 1.27 -4.39 1.61 5.15 -1.26 -4.74 115.26 112.90 1ug2 n ASN 67 Ca 0.00 -0.46 -0.37 0.00 -0.60 0.00 0.00 54.58 53.15 1ug2 n ASN 67 Cb 0.00 1.11 0.05 0.00 -0.53 0.00 0.00 39.78 40.41 1ug2 n ASN 67 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1ug2 n LYS 68 N -1.36 0.29 -4.13 1.20 3.00 -1.23 -4.98 118.16 110.94 1ug2 n LYS 68 Ca 0.01 0.12 -0.22 0.00 -0.00 0.00 0.00 58.31 58.22 1ug2 n LYS 68 Cb 0.14 -1.57 -0.05 0.00 0.00 0.00 0.00 35.03 33.55 1ug2 n LYS 68 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1ug2 s THR 69 N -1.88 4.09 -0.42 3.15 -4.23 -1.26 -4.46 115.64 110.63 1ug2 s THR 69 Ca 0.63 -1.53 0.26 0.00 -1.18 0.00 0.00 61.69 59.87 1ug2 s THR 69 Cb -0.40 -3.24 0.31 0.00 1.34 0.00 0.00 72.50 70.51 1ug2 s THR 69 CO 0.60 -0.34 1.77 1.55 -0.54 0.00 0.00 174.62 177.66 1ug2 h PRO 70 N 1.57 0.00 0.15 3.99 0.13 -1.93 -0.12 132.00 135.79 1ug2 h PRO 70 Ca -0.47 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.31 1ug2 h PRO 70 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1ug2 h PRO 70 CO 0.61 0.00 -1.79 -0.24 -0.23 0.00 0.00 178.00 176.34 1ug2 h VAL 71 N 0.00 0.87 -0.04 1.56 3.04 -1.95 -3.31 116.25 116.43 1ug2 h VAL 71 Ca 0.00 -2.51 -0.06 0.00 -1.01 0.00 0.00 66.70 63.12 1ug2 h VAL 71 Cb 0.63 2.68 0.00 0.00 -2.01 0.00 0.00 31.29 32.60 1ug2 h VAL 71 CO 0.00 0.85 -0.21 -0.33 -1.01 0.00 0.00 177.57 176.88 1ug2 h GLU 72 N 0.09 0.21 -0.92 4.17 4.39 -1.95 -2.94 114.58 117.63 1ug2 h GLU 72 Ca -0.35 -0.17 0.27 0.00 0.34 0.00 0.00 59.36 59.44 1ug2 h GLU 72 Cb 2.07 0.04 -0.15 0.00 -0.10 0.00 0.00 28.75 30.61 1ug2 h GLU 72 CO 0.15 0.83 0.28 0.28 -1.16 0.00 0.00 179.01 179.40 1ug2 h VAL 73 N -0.37 0.26 -0.66 3.13 2.07 -1.18 1.30 116.25 120.80 1ug2 h VAL 73 Ca -0.02 -0.06 -0.09 0.00 0.82 0.00 0.00 66.70 67.35 1ug2 h VAL 73 Cb 0.88 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1ug2 h VAL 73 CO 0.04 0.03 0.07 -1.28 0.02 0.00 0.00 177.57 176.46 1ug2 h SER 74 N 0.19 1.07 0.19 0.57 0.87 -1.64 -0.95 113.55 113.84 1ug2 h SER 74 Ca 0.61 -0.27 -0.02 0.00 -1.23 0.00 0.00 61.79 60.88 1ug2 h SER 74 Cb 1.29 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.97 1ug2 h SER 74 CO -0.69 1.07 -0.09 0.45 -0.53 0.00 0.00 176.83 177.04 1ug2 h HIS 75 N 1.02 0.00 0.13 2.24 -0.00 0.17 0.22 115.15 118.94 1ug2 h HIS 75 Ca 0.20 0.00 -0.28 0.00 -0.00 0.00 0.00 60.37 60.28 1ug2 h HIS 75 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.90 1ug2 h HIS 75 CO 0.04 0.09 -1.29 -0.09 -0.00 0.00 0.00 177.93 176.68 1ug2 h ARG 76 N 0.00 0.28 -0.01 2.45 9.65 0.14 -2.76 114.38 124.13 1ug2 h ARG 76 Ca -0.00 -0.48 -0.01 0.00 -1.10 0.00 0.00 59.98 58.39 1ug2 h ARG 76 Cb 0.22 0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.98 1ug2 h ARG 76 CO 0.01 1.22 -0.03 0.35 2.80 0.00 0.00 179.97 184.32 1ug2 h PHE 77 N 0.08 0.05 0.00 2.20 3.57 -0.17 -0.78 116.94 121.88 1ug2 h PHE 77 Ca -0.15 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.31 1ug2 h PHE 77 Cb 1.99 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 40.72 1ug2 h PHE 77 CO 0.07 0.67 -0.06 0.07 -2.23 0.00 0.00 178.31 176.83 1ug2 h ARG 78 N -0.58 0.00 0.05 1.11 -0.00 -0.73 -2.07 114.38 112.16 1ug2 h ARG 78 Ca -0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 59.98 59.91 1ug2 h ARG 78 Cb 0.67 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 30.65 1ug2 h ARG 78 CO 0.01 0.06 -0.29 0.93 -0.00 0.00 0.00 179.97 180.68 1ug2 h GLU 79 N 0.00 0.11 -0.00 0.08 4.39 -1.42 -3.01 114.58 114.72 1ug2 h GLU 79 Ca -0.00 -0.18 0.03 0.00 0.34 0.00 0.00 59.36 59.55 1ug2 h GLU 79 Cb 0.20 0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.87 1ug2 h GLU 79 CO 0.01 1.09 -0.37 -0.07 -1.16 0.00 0.00 179.01 178.51 1ug2 h LEU 80 N -0.78 -1.11 -0.68 1.33 3.38 -0.72 0.50 115.31 117.23 1ug2 h LEU 80 Ca -0.05 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1ug2 h LEU 80 Cb 1.23 0.44 0.00 0.00 0.09 0.00 0.00 40.66 42.42 1ug2 h LEU 80 CO 0.05 -0.42 0.00 0.23 0.09 0.00 0.00 178.44 178.39 1ug2 n MET 81 N -5.43 0.08 -0.06 1.13 2.81 -0.82 -2.22 117.12 112.62 1ug2 n MET 81 Ca -0.05 0.53 -0.07 0.00 -1.81 0.00 0.00 57.70 56.29 1ug2 n MET 81 Cb 0.35 -1.73 -0.07 0.00 -0.71 0.00 0.00 33.22 31.06 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 -0.38 0.03 4.15 0.07 -3.00 115.11 115.98 1ug2 h GLN 82 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.46 1ug2 h GLN 82 Cb 0.06 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 27.68 1ug2 h GLN 82 CO 0.00 0.49 -0.43 -0.07 -1.93 0.00 0.00 178.83 176.89 1ug2 h LEU 83 N -1.00 -1.47 -0.61 -2.39 3.38 -0.68 0.18 115.31 112.73 1ug2 h LEU 83 Ca -0.00 0.20 0.12 0.00 0.09 0.00 0.00 57.88 58.29 1ug2 h LEU 83 Cb 0.50 0.61 -0.12 0.00 0.09 0.00 0.00 40.66 41.75 1ug2 h LEU 83 CO 0.00 -0.29 -0.19 -0.26 0.09 0.00 0.00 178.44 177.79 1ug2 h PHE 84 N -0.27 -0.44 -0.23 1.13 0.04 -1.71 -1.56 116.94 113.91 1ug2 h PHE 84 Ca 0.06 0.06 0.03 0.00 2.80 0.00 0.00 57.97 60.92 1ug2 h PHE 84 Cb 0.44 0.29 -0.05 0.00 2.20 0.00 0.00 35.95 38.82 1ug2 h PHE 84 CO -0.74 -0.29 -0.39 0.45 -0.60 0.00 0.00 178.31 176.74 1ug2 h HIS 85 N -0.04 -1.19 -1.95 -0.55 3.86 -0.88 -3.40 115.15 111.00 1ug2 h HIS 85 Ca 0.29 0.05 -0.18 0.00 -1.16 0.00 0.00 60.37 59.37 1ug2 h HIS 85 Cb 0.48 0.55 -0.30 0.00 1.06 0.00 0.00 27.41 29.19 1ug2 h HIS 85 CO -0.53 -0.36 -0.51 0.99 0.86 0.00 0.00 177.93 178.39 1ug2 s THR 86 N -4.87 -0.57 0.24 2.45 2.01 -0.28 -5.11 115.64 109.52 1ug2 s THR 86 Ca -0.10 -0.11 -0.01 0.00 0.31 0.00 0.00 61.69 61.77 1ug2 s THR 86 Cb 0.06 -0.82 -0.03 0.00 0.01 0.00 0.00 72.50 71.71 1ug2 s THR 86 CO 0.43 -0.16 0.23 0.00 -0.69 0.00 0.00 174.62 174.43 1ug2 s ALA 87 N 2.52 1.09 0.00 7.40 0.00 -0.73 -4.56 121.76 127.47 1ug2 s ALA 87 Ca 0.12 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.42 1ug2 s ALA 87 Cb -0.15 1.35 0.00 0.00 0.00 0.00 0.00 23.12 24.32 1ug2 s ALA 87 CO -0.17 -0.66 0.00 0.00 0.00 0.00 0.00 175.76 174.93 1ug2 s GLU 89 N 0.00 1.06 0.05 0.00 2.02 -1.26 -5.17 118.70 115.39 1ug2 s GLU 89 Ca 0.00 -1.51 -0.27 0.00 0.02 0.00 0.00 54.97 53.21 1ug2 s GLU 89 Cb 0.00 -0.11 0.09 0.00 0.10 0.00 0.00 34.13 34.21 1ug2 s GLU 89 CO 0.00 -0.17 0.79 0.45 0.02 0.00 0.00 175.26 176.35 1ug2 s SER 90 N -3.14 -0.44 -0.28 -0.19 0.15 -1.26 -4.43 113.70 104.12 1ug2 s SER 90 Ca 0.24 0.02 -0.36 0.00 0.70 0.00 0.00 55.95 56.55 1ug2 s SER 90 Cb 0.07 0.46 0.16 0.00 -1.71 0.00 0.00 66.02 65.00 1ug2 s SER 90 CO 0.03 -0.73 1.36 -0.83 1.20 0.00 0.00 173.24 174.27 1ug2 s GLY 91 N -2.52 -0.14 0.68 9.45 0.00 -1.26 -4.99 107.32 108.54 1ug2 s GLY 91 Ca 0.03 2.10 -0.11 0.00 0.00 0.00 0.00 44.72 46.74 1ug2 s GLY 91 CO -0.10 0.74 1.06 2.56 0.00 0.00 0.00 173.10 177.36 1ug2 s PRO 92 N -1.84 2.99 -0.05 2.90 0.04 -1.26 -4.98 135.00 132.79 1ug2 s PRO 92 Ca 0.11 0.98 -0.29 0.00 0.04 0.00 0.00 61.00 61.84 1ug2 s PRO 92 Cb -0.01 -2.00 0.11 0.00 0.04 0.00 0.00 34.50 32.64 1ug2 s PRO 92 CO -0.04 -1.06 0.90 -1.54 0.04 0.00 0.00 177.00 175.30 1ug2 s SER 93 N -3.69 -0.39 0.40 6.66 1.04 -1.26 -5.06 113.70 111.40 1ug2 s SER 93 Ca 0.59 0.18 0.00 0.00 0.48 0.00 0.00 55.95 57.19 1ug2 s SER 93 Cb -0.14 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1ug2 s SER 93 CO 0.53 -0.54 0.00 -1.20 0.98 0.00 0.00 173.24 173.01 1ug2 n SER 94 N 0.13 0.00 0.00 7.02 7.64 -1.26 -5.30 113.62 121.86 1ug2 n SER 94 Ca -0.10 0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.84 1ug2 n SER 94 Cb 0.60 0.00 0.38 0.00 -1.01 0.00 0.00 64.21 64.19 1ug2 n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64