#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 0.09 -2.66 1.61 0.13 -2.15 -3.50 132.00 125.51 1ug2 h PRO 2 Ca 0.00 -0.09 0.31 0.00 -0.87 0.00 0.00 66.00 65.35 1ug2 h PRO 2 Cb 0.00 0.02 -0.10 0.00 0.13 0.00 0.00 31.00 31.05 1ug2 h PRO 2 CO 0.00 0.82 -0.60 0.45 -0.23 0.00 0.00 178.00 178.44 1ug2 n SER 3 N -4.63 -6.97 -3.07 1.44 2.88 -1.26 -5.07 113.62 96.95 1ug2 n SER 3 Ca -0.09 0.67 0.01 0.00 -1.33 0.00 0.00 58.87 58.13 1ug2 n SER 3 Cb 0.42 -3.66 0.01 0.00 -0.75 0.00 0.00 64.21 60.23 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 -3.81 0.43 3.48 0.46 0.00 -1.26 -5.18 105.19 99.31 1ug2 n GLY 4 Ca -0.01 -1.02 -0.17 0.00 0.00 0.00 0.00 46.02 44.81 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 -3.10 -0.61 -0.13 1.61 1.04 -1.26 -5.18 113.70 106.07 1ug2 s SER 5 Ca 0.22 0.55 -0.33 0.00 0.48 0.00 0.00 55.95 56.87 1ug2 s SER 5 Cb -0.01 0.53 0.13 0.00 0.10 0.00 0.00 66.02 66.77 1ug2 s SER 5 CO 0.01 -0.66 1.11 -0.55 0.98 0.00 0.00 173.24 174.13 1ug2 s SER 6 N -1.46 -0.21 0.00 7.02 0.15 -1.26 -5.19 113.70 112.76 1ug2 s SER 6 Ca -0.09 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.57 1ug2 s SER 6 Cb -0.00 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 1ug2 s SER 6 CO 0.06 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.76 1ug2 n GLY 7 N -0.11 6.21 3.16 9.45 0.00 -1.26 -5.18 105.19 117.46 1ug2 n GLY 7 Ca -0.03 -1.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.00 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 0.67 -0.22 4.61 0.00 -1.26 -5.17 121.76 118.38 1ug2 s ALA 8 Ca 0.00 -1.33 -0.33 0.00 0.00 0.00 0.00 51.96 50.30 1ug2 s ALA 8 Cb 0.00 0.72 0.15 0.00 0.00 0.00 0.00 23.12 24.00 1ug2 s ALA 8 CO 0.00 -0.48 1.24 0.20 0.00 0.00 0.00 175.76 176.72 1ug2 s GLY 9 N -3.01 -0.18 0.31 0.00 0.00 -1.26 -5.09 107.32 98.10 1ug2 s GLY 9 Ca 0.19 2.02 0.00 0.00 0.00 0.00 0.00 44.72 46.93 1ug2 s GLY 9 CO -0.01 0.76 0.00 0.00 0.00 0.00 0.00 173.10 173.85 1ug2 n ALA 10 N 0.18 2.72 -0.87 3.20 0.00 -1.26 -5.11 120.51 119.37 1ug2 n ALA 10 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.13 1ug2 n ALA 10 Cb 0.58 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.19 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 -6.94 2.51 0.91 0.00 1.02 -1.26 -4.61 118.68 110.31 1ug2 s LEU 11 Ca 0.00 1.92 -0.12 0.00 0.02 0.00 0.00 54.13 55.95 1ug2 s LEU 11 Cb 0.00 -4.30 0.14 0.00 0.02 0.00 0.00 46.19 42.05 1ug2 s LEU 11 CO 0.00 -2.97 1.14 -2.16 0.02 0.00 0.00 176.35 172.37 1ug2 s PRO 12 N -4.72 1.14 -0.40 1.29 0.04 -1.26 -5.13 135.00 125.97 1ug2 s PRO 12 Ca 0.65 0.29 0.04 0.00 0.04 0.00 0.00 61.00 62.02 1ug2 s PRO 12 Cb -0.21 -1.84 0.11 0.00 0.04 0.00 0.00 34.50 32.60 1ug2 s PRO 12 CO 0.58 -2.19 0.12 0.21 0.04 0.00 0.00 177.00 175.76 1ug2 s LYS 13 N -5.28 1.65 -0.29 4.56 2.20 -1.26 -5.03 119.74 116.29 1ug2 s LYS 13 Ca 0.64 -2.13 -0.03 0.00 -0.36 0.00 0.00 55.97 54.08 1ug2 s LYS 13 Cb -0.15 -3.24 0.11 0.00 -1.51 0.00 0.00 37.83 33.04 1ug2 s LYS 13 CO 0.53 -1.00 0.17 0.00 -0.36 0.00 0.00 175.35 174.69 1ug2 s ALA 14 N 0.49 0.36 -0.30 3.13 0.00 -1.26 -5.09 121.76 119.10 1ug2 s ALA 14 Ca 0.13 -0.88 -0.18 0.00 0.00 0.00 0.00 51.96 51.03 1ug2 s ALA 14 Cb -0.21 -1.47 0.18 0.00 0.00 0.00 0.00 23.12 21.62 1ug2 s ALA 14 CO -0.05 -1.65 1.20 -1.12 0.00 0.00 0.00 175.76 174.14 1ug2 s SER 15 N 2.16 -0.19 -0.09 0.00 0.01 -1.26 -5.16 113.70 109.18 1ug2 s SER 15 Ca 0.09 0.20 0.03 0.00 1.31 0.00 0.00 55.95 57.58 1ug2 s SER 15 Cb -0.16 1.19 -0.02 0.00 0.21 0.00 0.00 66.02 67.25 1ug2 s SER 15 CO -0.35 -0.04 -0.17 -0.70 0.41 0.00 0.00 173.24 172.39 1ug2 s GLU 16 N 2.45 2.91 -0.30 12.44 2.12 -1.26 -5.09 118.70 131.97 1ug2 s GLU 16 Ca -0.03 -0.76 -0.06 0.00 0.36 0.00 0.00 54.97 54.49 1ug2 s GLU 16 Cb -0.04 -2.42 0.17 0.00 0.26 0.00 0.00 34.13 32.09 1ug2 s GLU 16 CO -0.13 0.37 0.69 0.00 -0.54 0.00 0.00 175.26 175.64 1ug2 s ALA 17 N -0.08 -2.36 0.07 6.30 0.00 -1.26 -5.16 121.76 119.26 1ug2 s ALA 17 Ca -0.04 1.95 0.08 0.00 0.00 0.00 0.00 51.96 53.96 1ug2 s ALA 17 Cb -0.14 -2.10 -0.03 0.00 0.00 0.00 0.00 23.12 20.85 1ug2 s ALA 17 CO 0.04 -1.21 -0.23 0.99 0.00 0.00 0.00 175.76 175.35 1ug2 s THR 18 N 2.85 1.85 -1.43 0.00 2.01 -1.26 -5.04 115.64 114.63 1ug2 s THR 18 Ca 0.10 -1.41 -0.08 0.00 0.31 0.00 0.00 61.69 60.61 1ug2 s THR 18 Cb -0.13 -1.63 0.05 0.00 0.01 0.00 0.00 72.50 70.80 1ug2 s THR 18 CO -0.19 0.15 2.47 0.55 -0.69 0.00 0.00 174.62 176.90 1ug2 n VAL 19 N 1.49 4.60 -2.26 3.82 3.14 -1.26 -4.96 118.33 122.91 1ug2 n VAL 19 Ca -0.18 -3.64 -0.35 0.00 -2.96 0.00 0.00 64.34 57.22 1ug2 n VAL 19 Cb 0.53 -2.35 -0.00 0.00 -1.06 0.00 0.00 33.84 30.96 1ug2 n VAL 19 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ug2 s ALA 21 N -1.90 2.91 0.12 0.00 0.00 -1.26 -4.95 121.76 116.69 1ug2 s ALA 21 Ca 0.71 0.80 -0.28 0.00 0.00 0.00 0.00 51.96 53.19 1ug2 s ALA 21 Cb -0.22 -3.33 -0.06 0.00 0.00 0.00 0.00 23.12 19.52 1ug2 s ALA 21 CO 0.27 -0.52 1.61 -0.97 0.00 0.00 0.00 175.76 176.15 1ug2 h ASN 22 N 1.86 -1.00 0.00 0.00 -1.24 -2.03 -3.46 115.58 109.71 1ug2 h ASN 22 Ca -0.49 0.13 0.00 0.00 0.71 0.00 0.00 56.30 56.65 1ug2 h ASN 22 Cb 1.24 0.40 0.00 0.00 0.73 0.00 0.00 38.32 40.69 1ug2 h ASN 22 CO 0.60 -0.40 0.00 -3.20 -1.29 0.00 0.00 177.43 173.14 1ug2 n ASN 23 N -5.42 -1.37 -3.50 1.15 2.85 -1.26 -5.12 115.26 102.58 1ug2 n ASN 23 Ca -0.05 0.42 0.00 0.00 -0.11 0.00 0.00 54.58 54.84 1ug2 n ASN 23 Cb 0.33 1.51 -0.04 0.00 1.24 0.00 0.00 39.78 42.82 1ug2 n ASN 23 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1ug2 s SER 24 N -2.00 -0.73 -0.02 1.20 1.04 -1.26 -5.16 113.70 106.77 1ug2 s SER 24 Ca 0.00 1.02 0.04 0.00 0.48 0.00 0.00 55.95 57.50 1ug2 s SER 24 Cb 0.00 1.75 -0.01 0.00 0.10 0.00 0.00 66.02 67.87 1ug2 s SER 24 CO 0.00 -0.15 -0.15 -0.54 0.98 0.00 0.00 173.24 173.38 1ug2 s LYS 25 N 2.39 1.31 -0.39 4.02 -0.14 -1.26 -5.11 119.74 120.56 1ug2 s LYS 25 Ca -0.05 -0.53 -0.19 0.00 -1.36 0.00 0.00 55.97 53.84 1ug2 s LYS 25 Cb -0.07 -1.23 0.01 0.00 -1.68 0.00 0.00 37.83 34.86 1ug2 s LYS 25 CO -0.18 0.29 0.53 0.08 -0.76 0.00 0.00 175.35 175.32 1ug2 s VAL 26 N -0.24 4.98 0.18 3.17 1.01 -1.26 -5.05 120.40 123.20 1ug2 s VAL 26 Ca 0.03 0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.16 1ug2 s VAL 26 Cb -0.07 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 1ug2 s VAL 26 CO -0.00 -0.37 0.29 -0.55 0.00 0.00 0.00 175.10 174.48 1ug2 s SER 27 N 1.84 6.23 -0.16 3.32 0.15 -1.26 -5.10 113.70 118.72 1ug2 s SER 27 Ca 0.18 0.10 -0.06 0.00 0.70 0.00 0.00 55.95 56.87 1ug2 s SER 27 Cb -0.15 -1.83 -0.04 0.00 -1.71 0.00 0.00 66.02 62.28 1ug2 s SER 27 CO 0.15 0.01 0.05 -0.94 1.20 0.00 0.00 173.24 173.71 1ug2 s SER 28 N -3.50 5.55 0.02 5.45 1.04 -1.26 -5.10 113.70 115.90 1ug2 s SER 28 Ca 0.34 0.11 0.04 0.00 0.48 0.00 0.00 55.95 56.92 1ug2 s SER 28 Cb -0.10 -1.87 -0.02 0.00 0.10 0.00 0.00 66.02 64.13 1ug2 s SER 28 CO 0.28 0.23 -0.12 0.28 0.98 0.00 0.00 173.24 174.89 1ug2 s THR 29 N 0.01 0.95 0.00 2.02 -1.32 -1.26 -4.85 115.64 111.19 1ug2 s THR 29 Ca 0.05 -0.74 0.00 0.00 -1.21 0.00 0.00 61.69 59.79 1ug2 s THR 29 Cb -0.12 -0.84 0.00 0.00 -1.51 0.00 0.00 72.50 70.03 1ug2 s THR 29 CO 0.01 0.09 0.00 0.61 -2.21 0.00 0.00 174.62 173.12 1ug2 n GLY 30 N 2.32 3.70 1.01 6.08 0.00 -1.26 -5.13 105.19 111.91 1ug2 n GLY 30 Ca -0.16 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.85 -0.89 1.61 4.71 -1.26 -4.89 120.64 117.07 1ug2 n GLU 31 Ca 0.00 2.14 -0.35 0.00 -0.01 0.00 0.00 57.16 58.94 1ug2 n GLU 31 Cb 0.00 -2.47 0.08 0.00 -1.01 0.00 0.00 31.44 28.04 1ug2 n GLU 31 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 1ug2 n LYS 32 N -1.22 -0.36 -3.17 3.49 2.85 -1.26 -5.01 118.16 113.48 1ug2 n LYS 32 Ca 0.00 -0.09 0.03 0.00 -1.05 0.00 0.00 58.31 57.20 1ug2 n LYS 32 Cb 0.07 -1.35 -0.01 0.00 -0.65 0.00 0.00 35.03 33.08 1ug2 n LYS 32 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1ug2 s VAL 33 N -2.15 -0.96 -0.36 0.58 0.11 -1.26 -5.04 120.40 111.32 1ug2 s VAL 33 Ca 0.46 -0.01 0.13 0.00 -2.93 0.00 0.00 61.98 59.63 1ug2 s VAL 33 Cb -0.12 -0.99 0.41 0.00 -1.53 0.00 0.00 36.38 34.16 1ug2 s VAL 33 CO 0.72 -0.02 1.09 0.55 -3.33 0.00 0.00 175.10 174.12 1ug2 n VAL 34 N 5.42 0.46 0.09 2.04 3.14 -1.26 -4.94 118.33 123.27 1ug2 n VAL 34 Ca 0.00 -2.52 0.00 0.00 -2.96 0.00 0.00 64.34 58.86 1ug2 n VAL 34 Cb 0.52 0.76 0.00 0.00 -1.06 0.00 0.00 33.84 34.06 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 -0.20 -1.60 -4.92 6.55 0.00 -1.26 -5.14 117.00 110.43 1ug2 n LEU 35 Ca 0.06 0.44 -0.26 0.00 0.00 0.00 0.00 56.01 56.25 1ug2 n LEU 35 Cb 0.81 1.72 0.04 0.00 0.00 0.00 0.00 43.42 45.98 1ug2 n LEU 35 CO 0.12 -0.02 0.54 0.26 0.00 0.00 0.00 177.39 178.30 1ug2 s TRP 36 N -1.56 3.16 0.40 1.96 0.52 -1.26 -5.10 118.94 117.06 1ug2 s TRP 36 Ca 0.00 0.56 0.03 0.00 0.02 0.00 0.00 56.10 56.72 1ug2 s TRP 36 Cb 0.00 -2.84 -0.03 0.00 -1.15 0.00 0.00 33.47 29.45 1ug2 s TRP 36 CO 0.00 -0.96 0.10 -0.08 0.02 0.00 0.00 176.95 176.03 1ug2 s THR 37 N -3.03 0.80 -0.04 2.01 -1.32 -1.26 -5.01 115.64 107.78 1ug2 s THR 37 Ca 0.55 -2.00 -0.07 0.00 -1.21 0.00 0.00 61.69 58.96 1ug2 s THR 37 Cb -0.11 -2.43 -0.04 0.00 -1.51 0.00 0.00 72.50 68.41 1ug2 s THR 37 CO 0.45 0.00 0.38 -0.09 -2.21 0.00 0.00 174.62 173.14 1ug2 h ARG 38 N 1.82 -0.26 -0.45 7.08 9.65 -1.99 -2.37 114.38 127.86 1ug2 h ARG 38 Ca -0.37 0.02 0.04 0.00 -1.10 0.00 0.00 59.98 58.56 1ug2 h ARG 38 Cb 1.27 0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 29.86 1ug2 h ARG 38 CO 0.62 -0.17 -0.27 -1.91 2.80 0.00 0.00 179.97 181.04 1ug2 n GLU 39 N -4.19 -0.20 -0.20 0.20 4.07 -1.26 0.19 120.64 119.25 1ug2 n GLU 39 Ca -0.03 1.17 0.01 0.00 -0.06 0.00 0.00 57.16 58.25 1ug2 n GLU 39 Cb 0.10 -1.74 0.10 0.00 -0.06 0.00 0.00 31.44 29.84 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 -0.27 0.61 -0.71 4.31 0.00 -1.99 1.55 119.26 122.76 1ug2 h ALA 40 Ca 0.07 0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.23 1ug2 h ALA 40 Cb 0.18 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 1ug2 h ALA 40 CO -0.42 -0.38 0.39 -0.44 0.00 0.00 0.00 179.25 178.39 1ug2 h ASP 41 N 0.14 0.55 0.24 0.00 5.19 0.58 -0.73 116.42 122.39 1ug2 h ASP 41 Ca 0.31 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.75 1ug2 h ASP 41 Cb 0.50 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.95 1ug2 h ASP 41 CO -0.49 0.33 -0.12 0.03 -3.12 0.00 0.00 179.24 175.88 1ug2 h ARG 42 N 0.68 -0.31 -0.93 3.56 3.08 0.57 -3.20 114.38 117.83 1ug2 h ARG 42 Ca 0.33 0.02 0.13 0.00 0.07 0.00 0.00 59.98 60.53 1ug2 h ARG 42 Cb 0.28 0.07 -0.14 0.00 0.08 0.00 0.00 29.97 30.25 1ug2 h ARG 42 CO -0.22 0.06 -0.44 0.28 -1.07 0.00 0.00 179.97 178.57 1ug2 h VAL 43 N -0.80 0.02 -0.88 2.04 2.07 0.23 0.58 116.25 119.51 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 0.51 0.02 -0.13 0.00 -1.52 0.00 0.00 31.29 30.17 1ug2 h VAL 43 CO 0.05 0.00 -0.49 0.40 0.02 0.00 0.00 177.57 177.56 1ug2 h ILE 44 N -0.03 0.02 0.36 4.57 2.04 -1.18 1.10 117.51 124.39 1ug2 h ILE 44 Ca 0.28 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.12 1ug2 h ILE 44 Cb 0.54 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1ug2 h ILE 44 CO -0.93 0.00 -0.21 -0.07 0.00 0.00 0.00 178.15 176.94 1ug2 h LEU 45 N -0.07 -0.53 -0.33 1.44 3.38 -0.24 1.43 115.31 120.39 1ug2 h LEU 45 Ca 0.22 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.27 1ug2 h LEU 45 Cb 0.52 0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.35 1ug2 h LEU 45 CO -0.89 -0.34 -0.51 0.74 0.09 0.00 0.00 178.44 177.53 1ug2 h THR 46 N -0.55 0.00 -0.47 0.22 2.02 0.27 1.19 112.91 115.59 1ug2 h THR 46 Ca -0.04 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 1ug2 h THR 46 Cb 0.45 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 1ug2 h THR 46 CO 0.05 0.00 0.19 0.24 0.37 0.00 0.00 175.52 176.37 1ug2 h MET 47 N -0.40 0.70 -0.00 6.66 2.86 0.12 0.39 114.93 125.25 1ug2 h MET 47 Ca 0.06 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1ug2 h MET 47 Cb 0.56 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.11 1ug2 h MET 47 CO -0.52 0.63 0.02 0.00 1.06 0.00 0.00 176.91 178.09 1ug2 h GLN 49 N 0.00 0.00 0.82 0.00 5.75 0.29 0.99 115.11 122.95 1ug2 h GLN 49 Ca 0.00 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.47 1ug2 h GLN 49 Cb 0.03 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.58 1ug2 h GLN 49 CO -0.00 0.00 -0.50 1.49 -2.65 0.00 0.00 178.83 177.17 1ug2 h GLU 50 N -0.60 -1.18 -0.06 1.69 4.57 -0.14 -2.92 114.58 115.94 1ug2 h GLU 50 Ca 0.00 0.08 -0.13 0.00 -1.18 0.00 0.00 59.36 58.13 1ug2 h GLU 50 Cb 0.28 0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 1ug2 h GLU 50 CO 0.00 -0.79 -0.55 1.96 -1.18 0.00 0.00 179.01 178.45 1ug2 h GLN 51 N -1.23 0.18 0.00 1.92 1.08 0.11 -3.50 115.11 113.68 1ug2 h GLN 51 Ca -0.11 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 56.98 1ug2 h GLN 51 Cb 0.98 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.42 1ug2 h GLN 51 CO 0.11 0.69 0.00 0.41 -0.95 0.00 0.00 178.83 179.09 1ug2 n GLY 52 N 0.12 2.62 3.20 3.46 0.00 -0.38 -4.83 105.19 109.38 1ug2 n GLY 52 Ca -0.02 -1.73 -0.40 0.00 0.00 0.00 0.00 46.02 43.87 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 0.95 3.71 -2.43 4.61 0.00 0.34 -4.34 120.51 123.33 1ug2 n ALA 53 Ca 0.00 -3.54 -0.23 0.00 0.00 0.00 0.00 53.44 49.67 1ug2 n ALA 53 Cb 0.00 -3.57 -0.11 0.00 0.00 0.00 0.00 19.45 15.77 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 4.61 1.48 0.00 0.00 -2.07 -1.26 -5.01 119.66 117.40 1ug2 s GLN 54 Ca 0.56 -1.59 0.23 0.00 -1.82 0.00 0.00 55.36 52.75 1ug2 s GLN 54 Cb 0.09 -1.57 1.27 0.00 -1.09 0.00 0.00 33.01 31.70 1ug2 s GLN 54 CO 0.05 0.31 1.76 -0.35 -1.32 0.00 0.00 175.29 175.75 1ug2 n PRO 55 N -0.12 0.51 0.03 9.60 -0.04 -1.26 -2.05 135.00 141.67 1ug2 n PRO 55 Ca -0.10 0.04 0.11 0.00 -0.04 0.00 0.00 63.50 63.52 1ug2 n PRO 55 Cb 0.58 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.16 0.32 0.03 0.54 8.25 -1.26 -4.13 115.22 117.81 1ug2 n HIS 56 Ca 0.14 0.09 -0.22 0.00 -0.26 0.00 0.00 57.72 57.48 1ug2 n HIS 56 Cb 0.14 -0.49 -0.14 0.00 1.12 0.00 0.00 29.99 30.62 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 0.73 -0.92 1.59 2.02 -1.71 -3.34 112.91 111.28 1ug2 h THR 57 Ca 0.00 -2.41 0.27 0.00 0.77 0.00 0.00 66.41 65.04 1ug2 h THR 57 Cb 0.75 2.59 -0.04 0.00 -1.74 0.00 0.00 68.15 69.72 1ug2 h THR 57 CO 0.00 0.89 0.69 -0.26 0.37 0.00 0.00 175.52 177.21 1ug2 h PHE 58 N 0.08 0.00 0.00 3.16 0.04 -1.70 1.40 116.94 119.92 1ug2 h PHE 58 Ca -0.40 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.37 1ug2 h PHE 58 Cb 2.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.21 1ug2 h PHE 58 CO 0.09 0.00 0.00 1.03 -0.60 0.00 0.00 178.31 178.83 1ug2 h SER 59 N 0.00 0.00 0.00 2.17 0.87 -1.74 0.15 113.55 115.00 1ug2 h SER 59 Ca 0.44 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.74 1ug2 h SER 59 Cb 1.81 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.73 1ug2 h SER 59 CO -0.00 0.00 -1.46 0.52 -0.53 0.00 0.00 176.83 175.36 1ug2 n VAL 60 N -2.82 1.52 -0.06 2.23 0.31 0.47 -3.84 118.33 116.14 1ug2 n VAL 60 Ca -0.01 -0.07 -0.08 0.00 -0.01 0.00 0.00 64.34 64.17 1ug2 n VAL 60 Cb 0.18 -2.05 -0.01 0.00 -0.91 0.00 0.00 33.84 31.04 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 -1.00 0.81 -0.71 2.52 2.04 -1.23 0.29 117.51 120.24 1ug2 h ILE 61 Ca -0.38 -0.02 0.15 0.00 1.00 0.00 0.00 64.86 65.61 1ug2 h ILE 61 Cb 1.29 0.74 -0.13 0.00 -0.74 0.00 0.00 36.82 37.98 1ug2 h ILE 61 CO -0.23 0.01 -0.06 -1.28 0.00 0.00 0.00 178.15 176.59 1ug2 h SER 62 N 0.07 -0.45 -0.17 1.72 0.87 -0.90 1.41 113.55 116.10 1ug2 h SER 62 Ca 0.12 0.19 -0.13 0.00 -1.23 0.00 0.00 61.79 60.74 1ug2 h SER 62 Cb 0.16 0.36 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 1ug2 h SER 62 CO -0.21 -0.19 -0.33 1.56 -0.53 0.00 0.00 176.83 177.13 1ug2 h GLN 63 N 0.06 0.68 -0.04 2.24 4.20 -1.43 -2.14 115.11 118.69 1ug2 h GLN 63 Ca 0.37 -0.31 -0.08 0.00 0.06 0.00 0.00 58.65 58.68 1ug2 h GLN 63 Cb 0.61 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 1ug2 h GLN 63 CO -0.66 0.91 -0.37 1.96 -0.67 0.00 0.00 178.83 180.01 1ug2 h GLN 64 N 0.57 0.08 0.16 1.46 1.08 0.34 -3.06 115.11 115.74 1ug2 h GLN 64 Ca 0.06 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.22 1ug2 h GLN 64 Cb 0.84 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.27 1ug2 h GLN 64 CO 0.07 0.44 -0.08 -0.07 -0.95 0.00 0.00 178.83 178.24 1ug2 h LEU 65 N 0.07 -0.18 0.00 1.46 3.38 0.20 -3.49 115.31 116.75 1ug2 h LEU 65 Ca 0.01 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1ug2 h LEU 65 Cb 0.68 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1ug2 h LEU 65 CO 0.05 0.27 0.00 0.61 0.09 0.00 0.00 178.44 179.46 1ug2 n GLY 66 N 0.10 1.49 0.00 0.83 0.00 -0.83 -4.78 105.19 101.99 1ug2 n GLY 66 Ca -0.09 -0.33 0.06 0.00 0.00 0.00 0.00 46.02 45.67 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 1.15 -4.34 1.61 2.85 -1.26 -4.79 115.26 110.47 1ug2 n ASN 67 Ca 0.00 -0.49 -0.35 0.00 -0.11 0.00 0.00 54.58 53.63 1ug2 n ASN 67 Cb 0.00 1.22 0.08 0.00 1.24 0.00 0.00 39.78 42.31 1ug2 n ASN 67 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1ug2 n LYS 68 N -1.53 0.01 -4.21 1.20 3.00 -1.25 -4.99 118.16 110.38 1ug2 n LYS 68 Ca 0.01 0.04 -0.23 0.00 -0.00 0.00 0.00 58.31 58.13 1ug2 n LYS 68 Cb 0.24 -1.62 -0.06 0.00 0.00 0.00 0.00 35.03 33.59 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 -2.11 3.75 -0.46 3.15 -4.23 -1.26 -4.58 115.64 109.90 1ug2 s THR 69 Ca 0.57 -1.72 0.26 0.00 -1.18 0.00 0.00 61.69 59.62 1ug2 s THR 69 Cb -0.28 -3.04 0.30 0.00 1.34 0.00 0.00 72.50 70.82 1ug2 s THR 69 CO 0.67 -0.35 1.77 1.55 -0.54 0.00 0.00 174.62 177.71 1ug2 h PRO 70 N 1.72 0.00 0.14 3.99 0.13 -1.94 -0.86 132.00 135.18 1ug2 h PRO 70 Ca -0.46 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.33 1ug2 h PRO 70 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1ug2 h PRO 70 CO 0.61 0.00 -1.78 -0.24 -0.23 0.00 0.00 178.00 176.35 1ug2 h VAL 71 N 0.00 0.88 -0.06 1.56 3.04 -1.95 -3.32 116.25 116.40 1ug2 h VAL 71 Ca 0.00 -2.53 -0.06 0.00 -1.01 0.00 0.00 66.70 63.10 1ug2 h VAL 71 Cb 0.62 2.66 0.00 0.00 -2.01 0.00 0.00 31.29 32.56 1ug2 h VAL 71 CO 0.00 0.84 -0.18 -0.33 -1.01 0.00 0.00 177.57 176.88 1ug2 h GLU 72 N 0.08 0.23 -1.06 4.17 4.39 -1.95 -2.82 114.58 117.63 1ug2 h GLU 72 Ca -0.34 -0.17 0.31 0.00 0.34 0.00 0.00 59.36 59.50 1ug2 h GLU 72 Cb 2.06 0.03 -0.13 0.00 -0.10 0.00 0.00 28.75 30.61 1ug2 h GLU 72 CO 0.14 0.79 0.64 0.28 -1.16 0.00 0.00 179.01 179.70 1ug2 h VAL 73 N -0.28 0.37 -0.28 3.13 2.07 -1.32 0.90 116.25 120.85 1ug2 h VAL 73 Ca -0.01 -0.12 -0.10 0.00 0.82 0.00 0.00 66.70 67.29 1ug2 h VAL 73 Cb 0.80 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1ug2 h VAL 73 CO 0.04 0.07 -0.20 -1.28 0.02 0.00 0.00 177.57 176.21 1ug2 h SER 74 N 0.36 0.66 -0.28 0.57 0.87 -1.63 0.79 113.55 114.88 1ug2 h SER 74 Ca 0.70 -0.44 -0.01 0.00 -1.23 0.00 0.00 61.79 60.80 1ug2 h SER 74 Cb 1.67 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 63.43 1ug2 h SER 74 CO -0.48 0.96 0.14 0.45 -0.53 0.00 0.00 176.83 177.37 1ug2 h HIS 75 N 0.37 0.45 0.04 2.24 -0.00 0.85 -1.71 115.15 117.38 1ug2 h HIS 75 Ca 0.05 -0.01 -0.25 0.00 -0.00 0.00 0.00 60.37 60.17 1ug2 h HIS 75 Cb 0.75 -0.14 0.01 0.00 -0.00 0.00 0.00 27.41 28.02 1ug2 h HIS 75 CO 0.07 0.35 -1.04 -0.09 -0.00 0.00 0.00 177.93 177.21 1ug2 h ARG 76 N 0.46 0.45 -0.30 2.45 9.65 -0.08 -2.90 114.38 124.11 1ug2 h ARG 76 Ca 0.12 -0.53 0.04 0.00 -1.10 0.00 0.00 59.98 58.50 1ug2 h ARG 76 Cb 0.08 0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 28.79 1ug2 h ARG 76 CO -0.01 1.18 0.09 0.35 2.80 0.00 0.00 179.97 184.38 1ug2 h PHE 77 N 0.23 0.15 0.00 2.20 3.57 0.02 0.36 116.94 123.47 1ug2 h PHE 77 Ca -0.11 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.37 1ug2 h PHE 77 Cb 1.70 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.41 1ug2 h PHE 77 CO 0.07 0.06 -0.19 0.07 -2.23 0.00 0.00 178.31 176.09 1ug2 h ARG 78 N 0.21 0.00 -0.01 1.11 -0.00 -1.45 -2.95 114.38 111.29 1ug2 h ARG 78 Ca 0.13 0.00 -0.06 0.00 -0.00 0.00 0.00 59.98 60.06 1ug2 h ARG 78 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.09 1ug2 h ARG 78 CO -0.15 0.19 -0.21 0.93 -0.00 0.00 0.00 179.97 180.73 1ug2 h GLU 79 N 0.00 0.16 -1.40 0.08 5.08 -0.92 -0.92 114.58 116.66 1ug2 h GLU 79 Ca -0.00 -0.16 0.42 0.00 -1.00 0.00 0.00 59.36 58.62 1ug2 h GLU 79 Cb 0.54 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.75 1ug2 h GLU 79 CO 0.02 0.88 0.97 -0.07 -1.00 0.00 0.00 179.01 179.81 1ug2 h LEU 80 N -0.50 0.14 0.00 1.33 3.38 -0.17 1.55 115.31 121.04 1ug2 h LEU 80 Ca -0.02 0.05 -0.25 0.00 0.09 0.00 0.00 57.88 57.75 1ug2 h LEU 80 Cb 0.95 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.69 1ug2 h LEU 80 CO 0.04 -0.04 -1.74 0.23 0.09 0.00 0.00 178.44 177.02 1ug2 n MET 81 N -4.34 0.64 0.14 1.13 2.81 -1.19 -3.64 117.12 112.67 1ug2 n MET 81 Ca 0.34 0.20 0.00 0.00 -1.81 0.00 0.00 57.70 56.43 1ug2 n MET 81 Cb 1.44 -1.74 0.27 0.00 -0.71 0.00 0.00 33.22 32.48 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 0.10 0.42 0.03 4.15 0.34 -2.27 115.11 117.87 1ug2 h GLN 82 Ca -0.28 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.08 1ug2 h GLN 82 Cb 1.87 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.57 1ug2 h GLN 82 CO 0.06 0.51 -0.20 -0.07 -1.93 0.00 0.00 178.83 177.20 1ug2 h LEU 83 N 0.08 -0.47 -0.59 -2.39 3.38 -0.10 -2.89 115.31 112.33 1ug2 h LEU 83 Ca 0.01 -0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.06 1ug2 h LEU 83 Cb 0.79 0.12 -0.11 0.00 0.09 0.00 0.00 40.66 41.55 1ug2 h LEU 83 CO 0.06 -0.04 -0.32 -0.26 0.09 0.00 0.00 178.44 177.97 1ug2 h PHE 84 N -1.12 -0.88 -0.33 1.13 0.04 -1.62 0.77 116.94 114.93 1ug2 h PHE 84 Ca -0.06 0.07 0.04 0.00 2.80 0.00 0.00 57.97 60.83 1ug2 h PHE 84 Cb 0.46 0.47 -0.07 0.00 2.20 0.00 0.00 35.95 39.01 1ug2 h PHE 84 CO 0.01 -0.38 -0.53 0.45 -0.60 0.00 0.00 178.31 177.26 1ug2 h HIS 85 N -0.16 -1.61 -2.99 -0.55 3.86 -1.50 -3.35 115.15 108.85 1ug2 h HIS 85 Ca 0.24 0.07 -0.58 0.00 -1.16 0.00 0.00 60.37 58.94 1ug2 h HIS 85 Cb 0.55 0.75 -0.40 0.00 1.06 0.00 0.00 27.41 29.36 1ug2 h HIS 85 CO -0.62 -0.48 -0.77 0.99 0.86 0.00 0.00 177.93 177.91 1ug2 s THR 86 N -5.53 0.75 0.76 2.45 2.01 -0.48 -5.12 115.64 110.48 1ug2 s THR 86 Ca -0.14 -1.59 -0.05 0.00 0.31 0.00 0.00 61.69 60.22 1ug2 s THR 86 Cb 0.08 -1.56 0.13 0.00 0.01 0.00 0.00 72.50 71.15 1ug2 s THR 86 CO 0.58 -0.77 1.06 0.00 -0.69 0.00 0.00 174.62 174.80 1ug2 s ALA 87 N 1.35 3.31 -0.31 7.40 0.00 0.14 -4.55 121.76 129.09 1ug2 s ALA 87 Ca 0.12 -1.47 0.03 0.00 0.00 0.00 0.00 51.96 50.64 1ug2 s ALA 87 Cb -0.19 -2.27 0.09 0.00 0.00 0.00 0.00 23.12 20.75 1ug2 s ALA 87 CO -0.18 -1.61 0.03 0.00 0.00 0.00 0.00 175.76 174.00 1ug2 s GLU 89 N 1.11 -1.24 0.05 0.00 8.01 -1.26 -4.39 118.70 120.98 1ug2 s GLU 89 Ca 0.07 0.58 0.00 0.00 0.01 0.00 0.00 54.97 55.63 1ug2 s GLU 89 Cb -0.19 -1.54 0.00 0.00 -4.31 0.00 0.00 34.13 28.10 1ug2 s GLU 89 CO -0.11 -3.87 0.00 0.45 0.01 0.00 0.00 175.26 171.74 1ug2 n SER 90 N -4.98 -6.99 0.00 -0.19 2.88 -1.26 -4.98 113.62 98.10 1ug2 n SER 90 Ca 0.05 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.76 1ug2 n SER 90 Cb 0.56 -3.81 0.00 0.00 -0.75 0.00 0.00 64.21 60.21 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 1.25 -1.76 3.81 0.46 0.00 -1.26 -4.76 105.19 102.92 1ug2 n GLY 91 Ca 0.00 0.73 -0.32 0.00 0.00 0.00 0.00 46.02 46.42 1ug2 n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ug2 s PRO 92 N 0.00 3.30 0.01 1.61 0.04 -1.26 -4.44 135.00 134.26 1ug2 s PRO 92 Ca 0.00 1.13 0.02 0.00 0.04 0.00 0.00 61.00 62.19 1ug2 s PRO 92 Cb 0.00 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 1ug2 s PRO 92 CO 0.00 -0.82 -0.07 -1.12 0.04 0.00 0.00 177.00 175.03 1ug2 s SER 93 N -3.03 0.86 0.09 6.66 0.01 -1.26 -5.00 113.70 112.03 1ug2 s SER 93 Ca 0.62 -0.22 -0.33 0.00 1.31 0.00 0.00 55.95 57.33 1ug2 s SER 93 Cb -0.15 -0.07 -0.13 0.00 0.21 0.00 0.00 66.02 65.89 1ug2 s SER 93 CO 0.40 0.03 1.72 -1.20 0.41 0.00 0.00 173.24 174.61 1ug2 n SER 94 N 2.59 3.44 0.00 2.44 7.64 -1.26 -5.27 113.62 123.20 1ug2 n SER 94 Ca -0.15 1.03 0.00 0.00 1.01 0.00 0.00 58.87 60.76 1ug2 n SER 94 Cb 0.57 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 1ug2 n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64