#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1naq n THR 9 N 0.00 -8.82 -2.02 -0.44 5.66 -1.26 -5.11 114.28 102.29 1naq n THR 9 Ca 0.00 1.51 -0.41 0.00 -3.05 0.00 0.00 64.05 62.10 1naq n THR 9 Cb 0.00 -5.58 -0.02 0.00 -1.55 0.00 0.00 70.33 63.18 1naq n THR 9 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1naq s ALA 10 N -0.66 3.56 0.53 1.79 0.00 -1.26 -4.89 121.76 120.84 1naq s ALA 10 Ca -0.11 1.34 -0.01 0.00 0.00 0.00 0.00 51.96 53.18 1naq s ALA 10 Cb 0.01 -3.53 0.02 0.00 0.00 0.00 0.00 23.12 19.61 1naq s ALA 10 CO 0.49 -0.75 0.78 -1.54 0.00 0.00 0.00 175.76 174.75 1naq s SER 11 N -0.13 5.53 0.07 0.00 1.04 -1.26 -1.36 113.70 117.60 1naq s SER 11 Ca 0.53 0.31 -0.12 0.00 0.48 0.00 0.00 55.95 57.16 1naq s SER 11 Cb -0.42 -1.35 0.01 0.00 0.10 0.00 0.00 66.02 64.37 1naq s SER 11 CO 0.51 -0.98 0.28 0.54 0.98 0.00 0.00 173.24 174.56 1naq s VAL 12 N -2.77 0.10 -0.14 5.02 0.11 0.03 -4.06 120.40 118.70 1naq s VAL 12 Ca 0.53 -0.84 0.01 0.00 -2.93 0.00 0.00 61.98 58.76 1naq s VAL 12 Cb -0.10 -1.10 -0.00 0.00 -1.53 0.00 0.00 36.38 33.64 1naq s VAL 12 CO 0.40 -0.46 -0.17 -0.69 -3.33 0.00 0.00 175.10 170.85 1naq s VAL 13 N -3.20 2.58 -0.17 2.04 1.01 -0.84 -2.77 120.40 119.05 1naq s VAL 13 Ca -0.00 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.14 1naq s VAL 13 Cb 0.01 -2.07 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 1naq s VAL 13 CO -0.07 0.53 -0.09 -0.69 0.00 0.00 0.00 175.10 174.77 1naq s VAL 14 N 0.61 3.15 -0.20 2.92 1.01 0.43 -1.40 120.40 126.92 1naq s VAL 14 Ca -0.10 -0.60 -0.10 0.00 0.00 0.00 0.00 61.98 61.19 1naq s VAL 14 Cb -0.16 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 1naq s VAL 14 CO 0.03 0.48 0.12 -0.76 0.00 0.00 0.00 175.10 174.97 1naq s LEU 15 N 0.90 4.17 0.02 3.92 1.43 0.05 -0.52 118.68 128.65 1naq s LEU 15 Ca -0.02 0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 53.29 1naq s LEU 15 Cb -0.15 -2.08 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 1naq s LEU 15 CO 0.00 0.18 -0.00 0.00 0.23 0.00 0.00 176.35 176.76 1naq s THR 17 N -1.39 4.24 0.17 0.00 2.01 -1.15 -0.46 115.64 119.06 1naq s THR 17 Ca -0.15 -0.27 0.09 0.00 0.31 0.00 0.00 61.69 61.67 1naq s THR 17 Cb -0.09 -2.78 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 1naq s THR 17 CO -0.01 0.60 -0.20 0.00 -0.69 0.00 0.00 174.62 174.33 1naq s ALA 18 N -0.84 2.14 -0.10 7.40 0.00 -0.42 -4.70 121.76 125.24 1naq s ALA 18 Ca 0.13 -1.53 0.19 0.00 0.00 0.00 0.00 51.96 50.75 1naq s ALA 18 Cb -0.11 -0.22 0.41 0.00 0.00 0.00 0.00 23.12 23.20 1naq s ALA 18 CO 0.02 0.28 1.61 -1.00 0.00 0.00 0.00 175.76 176.67 1naq h PRO 19 N 3.21 0.00 -3.02 0.00 0.13 -1.86 0.66 132.00 131.11 1naq h PRO 19 Ca -0.43 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1naq h PRO 19 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1naq h PRO 19 CO 0.51 0.32 0.25 0.16 -0.23 0.00 0.00 178.00 179.01 1naq s ASP 20 N -6.32 -0.04 0.12 1.44 1.47 -1.26 -4.39 116.67 107.68 1naq s ASP 20 Ca 0.03 -1.03 -0.13 0.00 1.18 0.00 0.00 52.55 52.60 1naq s ASP 20 Cb 0.08 0.82 -0.06 0.00 -0.34 0.00 0.00 42.92 43.42 1naq s ASP 20 CO 0.69 -1.60 1.46 -0.33 0.68 0.00 0.00 175.17 176.07 1naq h GLU 21 N 2.00 0.80 -0.41 2.11 3.07 -1.96 -1.77 114.58 118.42 1naq h GLU 21 Ca -0.29 -0.40 -0.06 0.00 -0.50 0.00 0.00 59.36 58.11 1naq h GLU 21 Cb 1.25 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.15 1naq h GLU 21 CO 0.37 1.03 0.04 0.00 -1.40 0.00 0.00 179.01 179.04 1naq h ALA 22 N 0.75 0.55 -0.59 3.43 0.00 -1.98 0.75 119.26 122.17 1naq h ALA 22 Ca 0.06 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1naq h ALA 22 Cb 0.86 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1naq h ALA 22 CO 0.07 0.29 0.18 1.15 0.00 0.00 0.00 179.25 180.95 1naq h THR 23 N 0.54 1.24 -0.24 0.00 2.02 -1.97 -1.09 112.91 113.40 1naq h THR 23 Ca 0.12 -0.82 -0.03 0.00 0.77 0.00 0.00 66.41 66.45 1naq h THR 23 Cb 0.42 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1naq h THR 23 CO 0.01 0.31 0.02 0.00 0.37 0.00 0.00 175.52 176.23 1naq h ALA 24 N 1.05 0.32 -0.06 6.16 0.00 -1.11 -0.97 119.26 124.67 1naq h ALA 24 Ca 0.19 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1naq h ALA 24 Cb 0.29 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1naq h ALA 24 CO -0.01 0.03 -0.03 1.96 0.00 0.00 0.00 179.25 181.20 1naq h GLN 25 N 0.20 -0.03 -0.28 0.00 4.20 -0.77 -1.26 115.11 117.17 1naq h GLN 25 Ca 0.07 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 1naq h GLN 25 Cb 0.37 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 1naq h GLN 25 CO 0.01 -0.02 0.13 0.22 -0.67 0.00 0.00 178.83 178.50 1naq h ASP 26 N -0.04 0.38 -0.46 1.46 3.58 -0.86 -1.52 116.42 118.96 1naq h ASP 26 Ca 0.03 -0.13 0.09 0.00 0.42 0.00 0.00 57.03 57.44 1naq h ASP 26 Cb 0.09 -0.10 -0.10 0.00 1.72 0.00 0.00 39.33 40.94 1naq h ASP 26 CO -0.08 0.41 -0.29 0.25 -2.88 0.00 0.00 179.24 176.65 1naq h LEU 27 N 0.32 -0.99 0.00 2.28 5.85 -1.13 -2.22 115.31 119.42 1naq h LEU 27 Ca 0.10 0.19 0.02 0.00 0.84 0.00 0.00 57.88 59.04 1naq h LEU 27 Cb 0.13 0.49 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 1naq h LEU 27 CO -0.01 -0.29 -0.17 0.00 -0.34 0.00 0.00 178.44 177.62 1naq h ALA 28 N 0.96 -0.21 -0.81 1.25 0.00 -1.04 -2.27 119.26 117.13 1naq h ALA 28 Ca 0.20 0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.30 1naq h ALA 28 Cb 0.52 0.30 -0.12 0.00 0.00 0.00 0.00 17.79 18.49 1naq h ALA 28 CO -0.57 -0.67 0.28 0.00 0.00 0.00 0.00 179.25 178.29 1naq h ALA 29 N 0.63 1.17 -0.04 0.00 0.00 -1.03 -1.33 119.26 118.67 1naq h ALA 29 Ca 0.05 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1naq h ALA 29 Cb 0.35 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1naq h ALA 29 CO -0.16 -0.33 -0.02 0.87 0.00 0.00 0.00 179.25 179.61 1naq h LYS 30 N 0.34 0.08 0.00 0.00 1.57 -0.95 -1.36 116.57 116.26 1naq h LYS 30 Ca 0.48 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 59.18 1naq h LYS 30 Cb 0.85 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 1naq h LYS 30 CO -0.52 0.49 -0.19 -0.39 -0.57 0.00 0.00 179.45 178.27 1naq h VAL 31 N -0.32 0.44 -0.21 0.50 -1.51 -1.18 -1.97 116.25 112.00 1naq h VAL 31 Ca 0.01 -1.06 -0.05 0.00 -1.23 0.00 0.00 66.70 64.36 1naq h VAL 31 Cb 0.46 1.77 -0.01 0.00 -2.13 0.00 0.00 31.29 31.38 1naq h VAL 31 CO 0.01 0.18 -0.07 -0.07 -1.23 0.00 0.00 177.57 176.39 1naq h LEU 32 N 0.00 0.43 -1.36 4.19 -0.00 -1.20 -1.05 115.31 116.31 1naq h LEU 32 Ca -0.00 -0.38 -0.03 0.00 -0.00 0.00 0.00 57.88 57.46 1naq h LEU 32 Cb 0.75 -0.12 -0.02 0.00 -0.00 0.00 0.00 40.66 41.28 1naq h LEU 32 CO 0.02 0.71 0.07 0.00 -0.00 0.00 0.00 178.44 179.25 1naq h ALA 33 N 0.73 1.49 -0.01 1.53 0.00 -0.67 -1.06 119.26 121.28 1naq h ALA 33 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1naq h ALA 33 Cb 0.54 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1naq h ALA 33 CO 0.02 0.38 -0.02 0.39 0.00 0.00 0.00 179.25 180.02 1naq n GLU 34 N -4.34 1.20 -3.53 0.00 -0.58 -0.80 -4.94 120.64 107.65 1naq n GLU 34 Ca 0.02 -0.42 -0.24 0.00 -0.42 0.00 0.00 57.16 56.09 1naq n GLU 34 Cb 0.19 -1.49 0.06 0.00 -0.57 0.00 0.00 31.44 29.63 1naq n GLU 34 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1naq n LYS 35 N -0.53 -7.13 0.01 3.49 5.02 -0.40 -4.90 118.16 113.72 1naq n LYS 35 Ca 0.20 0.81 0.11 0.00 -2.02 0.00 0.00 58.31 57.41 1naq n LYS 35 Cb 0.24 -5.82 -0.09 0.00 -0.02 0.00 0.00 35.03 29.34 1naq n LYS 35 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1naq n LEU 36 N -4.80 0.48 -3.98 -0.35 4.77 -0.41 -4.87 117.00 107.85 1naq n LEU 36 Ca -0.01 -0.10 -0.09 0.00 -0.03 0.00 0.00 56.01 55.78 1naq n LEU 36 Cb 0.57 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.52 1naq n LEU 36 CO 0.63 0.06 -0.30 0.00 -1.33 0.00 0.00 177.39 176.45 1naq s ALA 37 N -3.29 0.13 -0.11 -1.18 0.00 -1.18 -4.69 121.76 111.43 1naq s ALA 37 Ca -0.00 -0.69 0.05 0.00 0.00 0.00 0.00 51.96 51.32 1naq s ALA 37 Cb 0.14 0.20 -0.24 0.00 0.00 0.00 0.00 23.12 23.23 1naq s ALA 37 CO 0.86 -0.26 0.39 0.00 0.00 0.00 0.00 175.76 176.75 1naq n ALA 38 N 1.00 1.26 -3.12 0.00 0.00 -0.28 -4.52 120.51 114.85 1naq n ALA 38 Ca -0.20 -0.80 -0.13 0.00 0.00 0.00 0.00 53.44 52.31 1naq n ALA 38 Cb 0.57 -0.63 -0.12 0.00 0.00 0.00 0.00 19.45 19.28 1naq n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1naq s ALA 40 N 0.03 2.39 -0.15 0.00 0.00 -1.26 -1.35 121.76 121.42 1naq s ALA 40 Ca -0.01 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 50.96 1naq s ALA 40 Cb -0.02 -0.89 -0.01 0.00 0.00 0.00 0.00 23.12 22.20 1naq s ALA 40 CO 0.00 0.39 -0.12 0.99 0.00 0.00 0.00 175.76 177.03 1naq s THR 41 N -0.11 3.01 -0.18 0.00 2.01 0.12 -4.99 115.64 115.50 1naq s THR 41 Ca -0.03 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.31 1naq s THR 41 Cb -0.14 -2.28 0.01 0.00 0.01 0.00 0.00 72.50 70.10 1naq s THR 41 CO 0.04 0.51 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.54 1naq s LEU 42 N 0.62 2.24 -0.34 4.42 1.43 -1.26 -0.26 118.68 125.53 1naq s LEU 42 Ca -0.07 -0.60 -0.07 0.00 -1.03 0.00 0.00 54.13 52.35 1naq s LEU 42 Cb -0.15 -1.51 0.03 0.00 0.03 0.00 0.00 46.19 44.59 1naq s LEU 42 CO 0.03 0.01 0.12 -0.63 0.23 0.00 0.00 176.35 176.11 1naq s ILE 43 N 1.22 3.98 0.69 -0.59 1.01 -0.30 -4.99 121.20 122.21 1naq s ILE 43 Ca 0.03 -0.98 -0.05 0.00 0.00 0.00 0.00 60.65 59.65 1naq s ILE 43 Cb -0.14 -3.20 0.07 0.00 0.01 0.00 0.00 42.46 39.20 1naq s ILE 43 CO -0.10 -0.13 0.97 -2.16 0.00 0.00 0.00 174.94 173.52 1naq s PRO 44 N 1.45 2.11 0.00 2.79 0.04 -1.26 -1.10 135.00 139.03 1naq s PRO 44 Ca -0.00 -0.51 0.00 0.00 0.04 0.00 0.00 61.00 60.53 1naq s PRO 44 Cb -0.19 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.10 1naq s PRO 44 CO 0.03 -1.22 0.00 0.41 0.04 0.00 0.00 177.00 176.27 1naq n GLY 45 N -2.82 0.76 3.87 0.56 0.00 -1.25 -4.92 105.19 101.38 1naq n GLY 45 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1naq n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1naq s ALA 46 N -3.03 2.99 -0.04 4.61 0.00 -0.95 -4.91 121.76 120.43 1naq s ALA 46 Ca 0.00 -0.13 0.04 0.00 0.00 0.00 0.00 51.96 51.87 1naq s ALA 46 Cb 0.00 -3.08 -0.00 0.00 0.00 0.00 0.00 23.12 20.04 1naq s ALA 46 CO 0.00 -0.87 -0.17 0.99 0.00 0.00 0.00 175.76 175.71 1naq s THR 47 N -3.21 1.41 -0.05 0.00 2.01 -1.26 -1.14 115.64 113.40 1naq s THR 47 Ca 0.56 -0.71 -0.01 0.00 0.31 0.00 0.00 61.69 61.84 1naq s THR 47 Cb -0.11 -1.21 -0.04 0.00 0.01 0.00 0.00 72.50 71.16 1naq s THR 47 CO 0.54 0.41 0.02 -0.44 -0.69 0.00 0.00 174.62 174.45 1naq s SER 48 N -0.00 5.32 -0.03 3.53 0.01 0.79 -4.91 113.70 118.41 1naq s SER 48 Ca -0.03 0.11 0.04 0.00 1.31 0.00 0.00 55.95 57.39 1naq s SER 48 Cb -0.11 -1.48 -0.00 0.00 0.21 0.00 0.00 66.02 64.63 1naq s SER 48 CO 0.02 0.33 -0.15 -0.76 0.41 0.00 0.00 173.24 173.09 1naq s LEU 49 N -1.23 1.92 -0.14 2.44 1.02 -1.26 -0.83 118.68 120.59 1naq s LEU 49 Ca 0.17 -0.29 -0.31 0.00 0.02 0.00 0.00 54.13 53.72 1naq s LEU 49 Cb -0.12 -0.82 0.13 0.00 0.02 0.00 0.00 46.19 45.40 1naq s LEU 49 CO 0.07 0.14 1.06 -0.72 0.02 0.00 0.00 176.35 176.92 1naq s TYR 50 N -0.05 -0.27 0.10 0.29 1.13 -1.09 -5.00 117.35 112.45 1naq s TYR 50 Ca -0.01 0.33 -0.22 0.00 -1.41 0.00 0.00 57.07 55.77 1naq s TYR 50 Cb -0.09 0.49 -0.07 0.00 -1.10 0.00 0.00 41.96 41.19 1naq s TYR 50 CO 0.01 -0.33 0.64 0.71 -2.51 0.00 0.00 175.55 174.08 1naq s TYR 51 N -1.91 3.83 -0.02 -3.49 2.02 -1.26 -1.02 117.35 115.50 1naq s TYR 51 Ca 0.04 1.39 0.00 0.00 -0.37 0.00 0.00 57.07 58.13 1naq s TYR 51 Cb -0.01 -2.60 0.02 0.00 -0.40 0.00 0.00 41.96 38.97 1naq s TYR 51 CO -0.04 0.54 0.00 -0.46 -1.57 0.00 0.00 175.55 174.02 1naq s TRP 52 N -1.01 0.22 -1.71 2.71 -0.11 0.11 -4.86 118.94 114.29 1naq s TRP 52 Ca 0.32 0.02 -0.14 0.00 1.22 0.00 0.00 56.10 57.51 1naq s TRP 52 Cb -0.21 -0.30 0.14 0.00 -1.50 0.00 0.00 33.47 31.60 1naq s TRP 52 CO 0.21 -0.09 0.49 0.39 -4.62 0.00 0.00 176.95 173.33 1naq n GLU 53 N 3.88 -1.68 -0.27 5.86 -0.58 -1.26 -1.47 120.64 125.13 1naq n GLU 53 Ca -0.24 0.22 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 1naq n GLU 53 Cb 0.52 -4.53 0.00 0.00 -0.57 0.00 0.00 31.44 26.86 1naq n GLU 53 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1naq n GLY 54 N -1.61 1.16 3.52 0.62 0.00 -1.26 -5.03 105.19 102.58 1naq n GLY 54 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 1naq n GLY 54 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1naq s LYS 55 N -0.48 2.51 -0.33 1.61 2.20 -0.54 -5.09 119.74 119.62 1naq s LYS 55 Ca 0.00 -0.70 -0.28 0.00 -0.36 0.00 0.00 55.97 54.63 1naq s LYS 55 Cb 0.00 -2.42 0.01 0.00 -1.51 0.00 0.00 37.83 33.91 1naq s LYS 55 CO 0.00 0.62 1.00 -1.17 -0.36 0.00 0.00 175.35 175.44 1naq s LEU 56 N -0.95 3.96 0.11 5.43 2.96 -1.26 -0.71 118.68 128.22 1naq s LEU 56 Ca 0.13 0.90 -0.06 0.00 -0.22 0.00 0.00 54.13 54.88 1naq s LEU 56 Cb -0.11 -3.42 -0.06 0.00 0.50 0.00 0.00 46.19 43.11 1naq s LEU 56 CO 0.02 -0.84 0.37 -1.61 -1.32 0.00 0.00 176.35 172.98 1naq s GLU 57 N 3.52 3.65 -0.13 1.98 0.41 -0.19 -4.98 118.70 122.97 1naq s GLU 57 Ca 0.42 -0.01 -0.04 0.00 -0.41 0.00 0.00 54.97 54.93 1naq s GLU 57 Cb -0.12 -2.91 0.05 0.00 -1.78 0.00 0.00 34.13 29.36 1naq s GLU 57 CO 0.16 0.51 0.09 -1.14 -0.49 0.00 0.00 175.26 174.39 1naq s GLN 58 N -2.34 0.02 0.00 1.61 0.74 -1.26 -2.67 119.66 115.77 1naq s GLN 58 Ca 0.37 0.09 0.04 0.00 0.05 0.00 0.00 55.36 55.91 1naq s GLN 58 Cb -0.13 -1.36 -0.01 0.00 1.10 0.00 0.00 33.01 32.61 1naq s GLN 58 CO 0.22 -0.56 -0.13 -1.21 -0.55 0.00 0.00 175.29 173.06 1naq s GLU 59 N 2.16 0.98 0.47 1.67 0.41 -0.01 -4.94 118.70 119.44 1naq s GLU 59 Ca 0.03 -0.51 -0.25 0.00 -0.41 0.00 0.00 54.97 53.84 1naq s GLU 59 Cb -0.15 -0.96 -0.08 0.00 -1.78 0.00 0.00 34.13 31.17 1naq s GLU 59 CO -0.07 0.26 1.42 0.98 -0.49 0.00 0.00 175.26 177.36 1naq n TYR 60 N 2.58 2.64 -3.87 1.61 4.19 -1.26 -0.15 117.16 122.91 1naq n TYR 60 Ca -0.15 0.44 -0.09 0.00 3.31 0.00 0.00 57.90 61.41 1naq n TYR 60 Cb 0.55 -2.44 -0.07 0.00 0.49 0.00 0.00 39.34 37.87 1naq n TYR 60 CO 0.00 0.00 0.00 -1.21 0.91 0.00 0.00 176.86 176.56 1naq s GLU 61 N -2.52 0.90 -0.16 2.98 0.41 -0.30 -4.76 118.70 115.26 1naq s GLU 61 Ca 0.63 -0.98 -0.03 0.00 -0.41 0.00 0.00 54.97 54.18 1naq s GLU 61 Cb -0.44 0.35 -0.02 0.00 -1.78 0.00 0.00 34.13 32.24 1naq s GLU 61 CO 0.56 -0.29 -0.06 0.08 -0.49 0.00 0.00 175.26 175.05 1naq s VAL 62 N -3.88 3.58 -0.25 2.63 1.01 0.22 -2.23 120.40 121.49 1naq s VAL 62 Ca 0.07 -0.46 -0.23 0.00 0.00 0.00 0.00 61.98 61.36 1naq s VAL 62 Cb 0.05 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 1naq s VAL 62 CO -0.09 0.49 0.75 -1.58 0.00 0.00 0.00 175.10 174.67 1naq s GLN 63 N 0.50 4.14 -0.01 2.72 2.00 -0.26 -1.30 119.66 127.45 1naq s GLN 63 Ca -0.05 0.77 -0.08 0.00 -2.00 0.00 0.00 55.36 54.00 1naq s GLN 63 Cb -0.15 -3.65 -0.05 0.00 0.80 0.00 0.00 33.01 29.96 1naq s GLN 63 CO 0.03 -0.48 0.28 -1.64 -0.50 0.00 0.00 175.29 172.97 1naq s MET 64 N 2.71 3.61 -0.26 1.67 -1.94 0.39 -1.16 119.30 124.33 1naq s MET 64 Ca 0.31 -0.00 -0.00 0.00 -1.71 0.00 0.00 55.69 54.28 1naq s MET 64 Cb -0.15 -3.11 0.08 0.00 2.01 0.00 0.00 34.83 33.66 1naq s MET 64 CO 0.08 0.67 0.03 0.42 -0.01 0.00 0.00 175.02 176.21 1naq s ILE 65 N -1.24 1.10 -0.20 2.53 1.01 0.63 -2.41 121.20 122.63 1naq s ILE 65 Ca 0.25 -1.20 -0.08 0.00 0.00 0.00 0.00 60.65 59.63 1naq s ILE 65 Cb -0.13 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.68 1naq s ILE 65 CO 0.14 -0.37 0.07 -0.76 0.00 0.00 0.00 174.94 174.02 1naq s LEU 66 N 1.56 3.74 -0.20 2.97 1.43 0.33 -0.71 118.68 127.80 1naq s LEU 66 Ca 0.02 0.01 -0.06 0.00 -1.03 0.00 0.00 54.13 53.08 1naq s LEU 66 Cb -0.18 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 1naq s LEU 66 CO -0.13 0.12 0.03 -0.54 0.23 0.00 0.00 176.35 176.05 1naq s LYS 67 N 0.71 3.71 0.37 1.70 1.02 -0.46 -0.43 119.74 126.37 1naq s LYS 67 Ca 0.04 -0.47 -0.09 0.00 0.02 0.00 0.00 55.97 55.47 1naq s LYS 67 Cb -0.13 -3.15 0.03 0.00 -0.52 0.00 0.00 37.83 34.06 1naq s LYS 67 CO 0.02 0.04 0.64 -2.37 -0.92 0.00 0.00 175.35 172.76 1naq n THR 68 N 4.19 0.00 -3.99 2.17 5.66 -1.12 -1.12 114.28 120.08 1naq n THR 68 Ca -0.17 -1.37 -0.21 0.00 -3.05 0.00 0.00 64.05 59.25 1naq n THR 68 Cb 0.52 1.04 -0.03 0.00 -1.55 0.00 0.00 70.33 70.31 1naq n THR 68 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1naq s THR 69 N -2.45 4.62 0.51 1.09 -4.23 -1.26 -0.79 115.64 113.12 1naq s THR 69 Ca 0.22 -1.23 0.15 0.00 -1.18 0.00 0.00 61.69 59.66 1naq s THR 69 Cb -0.03 -3.54 0.26 0.00 1.34 0.00 0.00 72.50 70.53 1naq s THR 69 CO 0.16 -0.31 2.13 -0.37 -0.54 0.00 0.00 174.62 175.69 1naq h VAL 70 N 1.31 1.02 -0.32 2.29 -1.51 -1.49 -1.16 116.25 116.39 1naq h VAL 70 Ca -0.49 -0.07 -0.01 0.00 -1.23 0.00 0.00 66.70 64.90 1naq h VAL 70 Cb 1.24 1.01 -0.02 0.00 -2.13 0.00 0.00 31.29 31.39 1naq h VAL 70 CO 0.60 0.02 0.16 0.28 -1.23 0.00 0.00 177.57 177.40 1naq h SER 71 N 0.03 0.39 -0.21 4.19 0.02 -1.95 -3.12 113.55 112.89 1naq h SER 71 Ca 0.01 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1naq h SER 71 Cb 0.03 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.47 1naq h SER 71 CO 0.00 0.33 0.00 1.41 -1.14 0.00 0.00 176.83 177.43 1naq n HIS 72 N -4.44 0.25 -0.33 3.45 -0.00 -0.47 -4.65 115.22 109.03 1naq n HIS 72 Ca 0.02 -0.13 -0.02 0.00 -0.00 0.00 0.00 57.72 57.59 1naq n HIS 72 Cb 0.11 -0.00 0.13 0.00 -0.00 0.00 0.00 29.99 30.22 1naq n HIS 72 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.34 176.71 1naq h GLN 73 N 4.59 1.24 -0.05 -0.41 4.15 -1.41 -1.68 115.11 121.54 1naq h GLN 73 Ca 0.00 -0.10 -0.13 0.00 0.77 0.00 0.00 58.65 59.19 1naq h GLN 73 Cb 0.99 -0.26 0.01 0.00 0.21 0.00 0.00 27.48 28.43 1naq h GLN 73 CO 0.00 0.86 -0.46 0.37 -1.93 0.00 0.00 178.83 177.66 1naq h GLN 74 N 1.26 0.41 -0.92 1.69 5.75 -1.82 -1.69 115.11 119.80 1naq h GLN 74 Ca 0.33 -0.37 -0.02 0.00 -0.15 0.00 0.00 58.65 58.45 1naq h GLN 74 Cb -0.08 0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.52 1naq h GLN 74 CO -0.06 1.02 0.51 0.00 -2.65 0.00 0.00 178.83 177.64 1naq h ALA 75 N 0.40 1.17 -0.17 3.38 0.00 -1.87 0.08 119.26 122.24 1naq h ALA 75 Ca -0.04 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1naq h ALA 75 Cb 1.14 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1naq h ALA 75 CO 0.09 0.67 0.10 1.25 0.00 0.00 0.00 179.25 181.37 1naq h LEU 76 N 1.28 0.18 -0.48 0.00 5.85 -1.22 0.79 115.31 121.70 1naq h LEU 76 Ca 0.32 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 59.08 1naq h LEU 76 Cb 0.01 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 1naq h LEU 76 CO -0.05 0.13 0.25 -0.07 -0.34 0.00 0.00 178.44 178.35 1naq h LEU 77 N 0.22 0.37 -0.67 2.25 4.07 -1.08 -1.60 115.31 118.86 1naq h LEU 77 Ca 0.06 0.02 0.05 0.00 0.08 0.00 0.00 57.88 58.09 1naq h LEU 77 Cb -0.01 -0.05 -0.05 0.00 1.08 0.00 0.00 40.66 41.63 1naq h LEU 77 CO -0.02 0.26 0.40 -0.33 -1.08 0.00 0.00 178.44 177.66 1naq h GLU 78 N 0.49 0.73 -0.13 1.13 5.08 -0.46 -1.96 114.58 119.46 1naq h GLU 78 Ca 0.21 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1naq h GLU 78 Cb 0.10 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1naq h GLU 78 CO -0.14 0.48 0.07 0.00 -1.00 0.00 0.00 179.01 178.42 1naq h LEU 80 N 0.10 0.98 -0.38 0.00 3.38 -1.22 -2.21 115.31 115.95 1naq h LEU 80 Ca 0.04 -0.17 -0.16 0.00 0.09 0.00 0.00 57.88 57.69 1naq h LEU 80 Cb 0.09 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1naq h LEU 80 CO -0.01 0.90 -0.38 0.50 0.09 0.00 0.00 178.44 179.55 1naq h LYS 81 N 1.02 0.93 -0.82 1.13 3.64 -1.23 -2.70 116.57 118.55 1naq h LYS 81 Ca 0.23 -0.49 0.15 0.00 -1.27 0.00 0.00 60.65 59.27 1naq h LYS 81 Cb 0.27 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.04 1naq h LYS 81 CO -0.01 1.15 0.54 0.77 -2.27 0.00 0.00 179.45 179.62 1naq h SER 82 N 0.75 0.48 1.37 4.20 0.02 -0.81 -2.69 113.55 116.87 1naq h SER 82 Ca 0.06 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1naq h SER 82 Cb 0.97 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.45 1naq h SER 82 CO 0.09 0.24 -0.27 0.45 -1.14 0.00 0.00 176.83 176.21 1naq h HIS 83 N 0.51 0.00 -3.86 3.45 3.86 -1.09 -3.47 115.15 114.55 1naq h HIS 83 Ca 0.41 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 59.12 1naq h HIS 83 Cb 0.84 0.00 0.03 0.00 1.06 0.00 0.00 27.41 29.34 1naq h HIS 83 CO -0.00 0.00 0.48 -1.58 0.86 0.00 0.00 177.93 177.68 1naq s HIS 84 N -3.17 3.41 0.54 2.45 5.04 -1.01 -4.90 115.29 117.65 1naq s HIS 84 Ca 0.08 1.65 0.30 0.00 -1.54 0.00 0.00 55.06 55.54 1naq s HIS 84 Cb 0.11 -3.29 1.74 0.00 0.04 0.00 0.00 32.58 31.18 1naq s HIS 84 CO 0.66 -0.75 2.21 -1.35 -2.34 0.00 0.00 174.74 173.17 1naq h PRO 85 N 3.34 0.00 0.00 2.88 0.11 -1.90 -2.19 132.00 134.24 1naq h PRO 85 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1naq h PRO 85 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1naq h PRO 85 CO 0.65 0.04 -0.04 0.66 -0.21 0.00 0.00 178.00 179.09 1naq n TYR 86 N -3.75 0.00 -3.71 0.65 4.01 -1.26 -5.00 117.16 108.10 1naq n TYR 86 Ca -0.03 -0.74 -0.28 0.00 -0.16 0.00 0.00 57.90 56.69 1naq n TYR 86 Cb 0.13 -0.11 -0.01 0.00 -0.31 0.00 0.00 39.34 39.04 1naq n TYR 86 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1naq n GLN 87 N -1.01 -3.64 -3.20 -0.72 3.00 -0.82 -4.92 117.38 106.05 1naq n GLN 87 Ca 0.10 0.46 -0.22 0.00 -0.01 0.00 0.00 57.00 57.32 1naq n GLN 87 Cb 0.54 -5.20 -0.07 0.00 0.00 0.00 0.00 30.24 25.51 1naq n GLN 87 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1naq n THR 88 N -4.18 -0.81 -2.41 5.09 -2.24 -1.26 -4.94 114.28 103.53 1naq n THR 88 Ca 0.02 -3.29 -0.32 0.00 -2.27 0.00 0.00 64.05 58.19 1naq n THR 88 Cb 0.52 -1.29 -0.03 0.00 -2.10 0.00 0.00 70.33 67.43 1naq n THR 88 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1naq s PRO 89 N -0.31 3.86 -0.84 -0.78 0.04 -1.26 -4.96 135.00 130.74 1naq s PRO 89 Ca 0.33 1.06 -0.25 0.00 0.04 0.00 0.00 61.00 62.18 1naq s PRO 89 Cb 0.10 -2.12 0.03 0.00 0.04 0.00 0.00 34.50 32.56 1naq s PRO 89 CO -0.15 -0.35 1.39 -2.00 0.04 0.00 0.00 177.00 175.93 1naq s GLU 90 N -3.88 3.29 -0.11 4.56 2.12 -1.26 -4.94 118.70 118.48 1naq s GLU 90 Ca 0.61 -0.53 -0.01 0.00 0.36 0.00 0.00 54.97 55.40 1naq s GLU 90 Cb -0.11 -4.65 0.04 0.00 0.26 0.00 0.00 34.13 29.66 1naq s GLU 90 CO 0.29 -2.24 -0.01 -1.17 -0.54 0.00 0.00 175.26 171.59 1naq s LEU 91 N 5.74 0.90 0.04 2.70 2.96 -1.26 -2.93 118.68 126.83 1naq s LEU 91 Ca 0.42 -0.33 0.03 0.00 -0.22 0.00 0.00 54.13 54.02 1naq s LEU 91 Cb -0.05 -0.58 -0.02 0.00 0.50 0.00 0.00 46.19 46.04 1naq s LEU 91 CO 0.06 -0.21 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.03 1naq s LEU 92 N 1.88 2.19 -0.16 -0.68 1.43 -0.77 -5.01 118.68 117.56 1naq s LEU 92 Ca 0.03 -0.45 -0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1naq s LEU 92 Cb -0.14 -0.32 -0.00 0.00 0.03 0.00 0.00 46.19 45.76 1naq s LEU 92 CO -0.07 -0.09 -0.13 -0.69 0.23 0.00 0.00 176.35 175.60 1naq s VAL 93 N -1.01 2.83 -0.14 -1.59 1.01 -1.26 -0.77 120.40 119.46 1naq s VAL 93 Ca -0.04 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.18 1naq s VAL 93 Cb -0.08 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 1naq s VAL 93 CO 0.01 0.50 0.02 -0.76 0.00 0.00 0.00 175.10 174.87 1naq s LEU 94 N 0.85 3.60 0.29 3.92 1.43 -0.49 -5.03 118.68 123.25 1naq s LEU 94 Ca -0.04 0.06 -0.28 0.00 -1.03 0.00 0.00 54.13 52.84 1naq s LEU 94 Cb -0.15 -1.87 -0.09 0.00 0.03 0.00 0.00 46.19 44.11 1naq s LEU 94 CO -0.00 0.26 0.98 -2.16 0.23 0.00 0.00 176.35 175.66 1naq s PRO 95 N -0.14 4.68 -0.18 1.29 0.04 -1.26 -1.98 135.00 137.44 1naq s PRO 95 Ca 0.05 1.51 -0.07 0.00 0.04 0.00 0.00 61.00 62.54 1naq s PRO 95 Cb -0.12 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.32 1naq s PRO 95 CO 0.02 0.33 0.04 0.08 0.04 0.00 0.00 177.00 177.51 1naq s VAL 96 N -1.34 4.52 -2.17 -0.36 1.01 -1.26 -4.90 120.40 115.91 1naq s VAL 96 Ca 0.46 -0.13 0.18 0.00 0.00 0.00 0.00 61.98 62.49 1naq s VAL 96 Cb -0.25 -3.04 0.13 0.00 0.00 0.00 0.00 36.38 33.23 1naq s VAL 96 CO 0.31 0.45 1.05 0.35 0.00 0.00 0.00 175.10 177.26 1naq n THR 97 N 3.71 0.00 -3.64 3.92 -2.24 -1.26 -4.82 114.28 109.94 1naq n THR 97 Ca -0.17 -0.49 -0.06 0.00 -2.27 0.00 0.00 64.05 61.06 1naq n THR 97 Cb 0.52 1.36 -0.07 0.00 -2.10 0.00 0.00 70.33 70.04 1naq n THR 97 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1naq s HIS 98 N -1.50 -0.28 0.38 4.78 2.46 -1.26 -5.17 115.29 114.70 1naq s HIS 98 Ca 0.20 0.68 0.08 0.00 0.47 0.00 0.00 55.06 56.49 1naq s HIS 98 Cb 0.15 0.41 -0.07 0.00 -0.13 0.00 0.00 32.58 32.94 1naq s HIS 98 CO 0.23 -0.14 0.00 0.20 -2.47 0.00 0.00 174.74 172.57 1naq s GLY 99 N 0.17 2.33 0.13 1.59 0.00 -1.26 -5.08 107.32 105.20 1naq s GLY 99 Ca 0.05 -2.17 -0.31 0.00 0.00 0.00 0.00 44.72 42.28 1naq s GLY 99 CO -0.11 -2.03 1.66 -0.35 0.00 0.00 0.00 173.10 172.27 1naq s ASP 100 N -3.71 6.54 0.50 1.64 2.15 -1.26 -4.92 116.67 117.62 1naq s ASP 100 Ca 0.35 2.62 0.29 0.00 0.43 0.00 0.00 52.55 56.24 1naq s ASP 100 Cb 0.06 -2.58 1.06 0.00 -0.30 0.00 0.00 42.92 41.16 1naq s ASP 100 CO 0.18 -0.89 1.87 0.00 -0.17 0.00 0.00 175.17 176.16 1naq h THR 101 N 4.38 0.13 -0.00 1.71 1.03 -1.99 0.17 112.91 118.34 1naq h THR 101 Ca -0.43 -0.77 -0.00 0.00 -0.01 0.00 0.00 66.41 65.20 1naq h THR 101 Cb 1.20 1.67 0.00 0.00 -1.07 0.00 0.00 68.15 69.96 1naq h THR 101 CO 0.93 0.06 -0.01 0.44 -0.01 0.00 0.00 175.52 176.92 1naq h ASP 102 N 0.00 0.02 -0.83 0.00 3.45 -1.99 0.99 116.42 118.07 1naq h ASP 102 Ca -0.00 -0.66 0.13 0.00 0.43 0.00 0.00 57.03 56.92 1naq h ASP 102 Cb 0.67 -0.01 -0.09 0.00 -0.56 0.00 0.00 39.33 39.35 1naq h ASP 102 CO 0.01 0.68 0.44 0.22 -1.57 0.00 0.00 179.24 179.01 1naq h TYR 103 N -0.64 0.77 -0.70 4.55 3.20 -1.94 -1.43 116.97 120.78 1naq h TYR 103 Ca -0.00 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 1naq h TYR 103 Cb 0.68 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.70 1naq h TYR 103 CO 0.16 0.23 0.33 1.25 -1.64 0.00 0.00 178.16 178.49 1naq h LEU 104 N 0.67 0.91 -0.49 2.82 5.85 -0.60 -0.53 115.31 123.93 1naq h LEU 104 Ca 0.43 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 59.04 1naq h LEU 104 Cb 0.54 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1naq h LEU 104 CO -0.32 0.77 0.28 0.28 -0.34 0.00 0.00 178.44 179.11 1naq h SER 105 N 1.00 0.60 -0.61 1.25 0.02 0.09 -0.64 113.55 115.26 1naq h SER 105 Ca 0.24 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 1naq h SER 105 Cb 0.11 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 1naq h SER 105 CO -0.03 0.50 0.28 -0.25 -1.14 0.00 0.00 176.83 176.19 1naq h TRP 106 N 0.65 0.91 -0.34 3.45 7.01 -0.86 -0.94 115.95 125.83 1naq h TRP 106 Ca 0.17 -0.04 -0.08 0.00 2.11 0.00 0.00 58.89 61.06 1naq h TRP 106 Cb 0.03 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 26.79 1naq h TRP 106 CO -0.02 0.68 -0.08 1.25 -2.79 0.00 0.00 178.44 177.47 1naq h LEU 107 N 0.90 0.66 -0.45 0.65 6.46 -0.53 -0.28 115.31 122.73 1naq h LEU 107 Ca 0.22 -0.36 -0.11 0.00 -0.12 0.00 0.00 57.88 57.50 1naq h LEU 107 Cb 0.13 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 39.87 1naq h LEU 107 CO -0.02 0.87 -0.16 -1.13 -0.62 0.00 0.00 178.44 177.38 1naq h ASN 108 N 0.44 0.91 -0.58 1.25 -1.24 -0.97 -2.96 115.58 112.43 1naq h ASN 108 Ca 0.09 -0.38 -0.04 0.00 0.71 0.00 0.00 56.30 56.67 1naq h ASN 108 Cb 0.58 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 39.36 1naq h ASN 108 CO 0.03 1.09 0.23 0.00 -1.29 0.00 0.00 177.43 177.49 1naq h ALA 109 N 0.85 1.24 0.00 1.57 0.00 -0.91 -2.27 119.26 119.74 1naq h ALA 109 Ca 0.11 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1naq h ALA 109 Cb 0.72 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1naq h ALA 109 CO 0.05 0.55 -0.13 0.77 0.00 0.00 0.00 179.25 180.50 1naq h SER 110 N 0.89 0.00 -0.55 0.00 0.02 -0.89 -2.45 113.55 110.57 1naq h SER 110 Ca 0.21 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.99 1naq h SER 110 Cb 0.21 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.64 1naq h SER 110 CO -0.02 0.13 0.22 0.18 -1.14 0.00 0.00 176.83 176.20 1naq n LEU 111 N -4.24 5.01 0.00 5.07 4.77 -0.85 -4.94 117.00 121.81 1naq n LEU 111 Ca -0.03 -2.60 0.00 0.00 -0.03 0.00 0.00 56.01 53.36 1naq n LEU 111 Cb 0.20 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 1naq n LEU 111 CO 0.34 0.69 0.00 0.54 -1.33 0.00 0.00 177.39 177.64