#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1naq s ALA 10 N 0.00 3.67 0.31 2.41 0.00 -1.26 -5.02 121.76 121.87 1naq s ALA 10 Ca 0.00 -0.34 0.08 0.00 0.00 0.00 0.00 51.96 51.70 1naq s ALA 10 Cb 0.00 -2.33 -0.03 0.00 0.00 0.00 0.00 23.12 20.75 1naq s ALA 10 CO 0.00 0.55 0.23 -1.54 0.00 0.00 0.00 175.76 175.00 1naq s SER 11 N -2.03 5.19 0.07 0.00 1.04 -1.26 -1.91 113.70 114.80 1naq s SER 11 Ca 0.39 -0.50 0.01 0.00 0.48 0.00 0.00 55.95 56.33 1naq s SER 11 Cb -0.13 -1.02 -0.04 0.00 0.10 0.00 0.00 66.02 64.93 1naq s SER 11 CO 0.20 -0.25 -0.06 0.68 0.98 0.00 0.00 173.24 174.80 1naq s VAL 12 N -2.29 0.50 -0.22 5.02 -7.23 -0.68 -3.62 120.40 111.89 1naq s VAL 12 Ca 0.38 -1.64 -0.07 0.00 -1.81 0.00 0.00 61.98 58.84 1naq s VAL 12 Cb -0.06 -1.30 -0.03 0.00 0.56 0.00 0.00 36.38 35.55 1naq s VAL 12 CO 0.25 -0.77 0.07 -0.69 -0.31 0.00 0.00 175.10 173.65 1naq s VAL 13 N -3.04 4.53 -0.16 1.32 1.01 -1.01 -2.55 120.40 120.49 1naq s VAL 13 Ca 0.04 -0.11 -0.05 0.00 0.00 0.00 0.00 61.98 61.86 1naq s VAL 13 Cb 0.01 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 1naq s VAL 13 CO -0.05 0.39 -0.01 -0.69 0.00 0.00 0.00 175.10 174.75 1naq s VAL 14 N 1.03 4.17 -0.06 2.92 1.01 0.68 -0.36 120.40 129.79 1naq s VAL 14 Ca 0.04 -0.26 -0.03 0.00 0.00 0.00 0.00 61.98 61.73 1naq s VAL 14 Cb -0.14 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1naq s VAL 14 CO 0.03 0.49 0.11 -0.76 0.00 0.00 0.00 175.10 174.97 1naq s LEU 15 N 0.34 4.13 0.16 3.92 1.43 0.55 -0.42 118.68 128.79 1naq s LEU 15 Ca -0.02 0.31 -0.17 0.00 -1.03 0.00 0.00 54.13 53.21 1naq s LEU 15 Cb -0.14 -2.21 0.03 0.00 0.03 0.00 0.00 46.19 43.91 1naq s LEU 15 CO 0.02 0.33 0.48 0.00 0.23 0.00 0.00 176.35 177.41 1naq s THR 17 N -3.84 1.82 0.04 0.00 2.01 -1.24 -0.16 115.64 114.27 1naq s THR 17 Ca 0.06 -0.97 0.06 0.00 0.31 0.00 0.00 61.69 61.15 1naq s THR 17 Cb 0.00 -1.52 -0.02 0.00 0.01 0.00 0.00 72.50 70.97 1naq s THR 17 CO -0.07 0.51 -0.18 0.00 -0.69 0.00 0.00 174.62 174.19 1naq s ALA 18 N -0.42 1.53 0.30 7.40 0.00 -0.92 -4.68 121.76 124.98 1naq s ALA 18 Ca 0.05 -0.98 0.28 0.00 0.00 0.00 0.00 51.96 51.32 1naq s ALA 18 Cb -0.10 -0.28 1.31 0.00 0.00 0.00 0.00 23.12 24.06 1naq s ALA 18 CO 0.00 0.33 1.99 -1.00 0.00 0.00 0.00 175.76 177.08 1naq h PRO 19 N 4.86 0.00 -2.85 0.00 0.13 -1.89 -1.85 132.00 130.39 1naq h PRO 19 Ca -0.41 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.74 1naq h PRO 19 Cb 1.17 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.18 1naq h PRO 19 CO 0.44 0.14 0.27 0.16 -0.23 0.00 0.00 178.00 178.77 1naq s ASP 20 N -6.06 -0.49 0.58 1.44 1.47 -1.26 -4.62 116.67 107.74 1naq s ASP 20 Ca -0.01 -0.08 0.35 0.00 1.18 0.00 0.00 52.55 53.99 1naq s ASP 20 Cb 0.12 0.57 1.77 0.00 -0.34 0.00 0.00 42.92 45.03 1naq s ASP 20 CO 0.59 -0.95 2.15 1.05 0.68 0.00 0.00 175.17 178.69 1naq h GLU 21 N 2.00 0.00 -0.07 2.11 4.11 -1.96 -2.14 114.58 118.63 1naq h GLU 21 Ca -0.30 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.03 1naq h GLU 21 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1naq h GLU 21 CO 0.35 0.04 -0.35 0.00 0.07 0.00 0.00 179.01 179.12 1naq h ALA 22 N 1.96 0.14 -0.14 1.06 0.00 -1.99 -1.17 119.26 119.11 1naq h ALA 22 Ca -0.00 -0.45 -0.16 0.00 0.00 0.00 0.00 54.91 54.29 1naq h ALA 22 Cb 0.27 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1naq h ALA 22 CO 0.01 0.22 -0.60 1.79 0.00 0.00 0.00 179.25 180.66 1naq h THR 23 N -0.11 1.34 -0.65 0.00 1.35 -1.95 -2.51 112.91 110.38 1naq h THR 23 Ca -0.02 -1.90 0.01 0.00 -0.55 0.00 0.00 66.41 63.94 1naq h THR 23 Cb 1.00 1.89 -0.03 0.00 -1.73 0.00 0.00 68.15 69.28 1naq h THR 23 CO 0.07 0.58 0.42 0.00 -0.25 0.00 0.00 175.52 176.35 1naq h ALA 24 N 1.00 0.83 -0.40 6.62 0.00 -1.42 -0.59 119.26 125.30 1naq h ALA 24 Ca -0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1naq h ALA 24 Cb 1.15 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1naq h ALA 24 CO 0.11 0.23 -0.23 0.37 0.00 0.00 0.00 179.25 179.72 1naq h GLN 25 N 0.85 0.80 0.09 0.00 4.15 -1.21 -1.70 115.11 118.09 1naq h GLN 25 Ca 0.24 -0.33 0.00 0.00 0.77 0.00 0.00 58.65 59.33 1naq h GLN 25 Cb -0.07 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 1naq h GLN 25 CO -0.06 0.95 -0.09 0.22 -1.93 0.00 0.00 178.83 177.93 1naq h ASP 26 N 0.70 -0.22 -0.64 -0.69 3.58 -1.03 -1.28 116.42 116.83 1naq h ASP 26 Ca 0.09 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.55 1naq h ASP 26 Cb 0.76 0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.85 1naq h ASP 26 CO 0.06 -0.13 0.33 -0.07 -2.88 0.00 0.00 179.24 176.55 1naq h LEU 27 N -0.19 0.81 0.09 2.28 3.38 -1.09 -1.71 115.31 118.88 1naq h LEU 27 Ca 0.00 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.88 1naq h LEU 27 Cb 0.18 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1naq h LEU 27 CO -0.02 0.69 -0.23 0.00 0.09 0.00 0.00 178.44 178.97 1naq h ALA 28 N 1.15 -0.37 -0.69 1.53 0.00 -1.15 -1.46 119.26 118.28 1naq h ALA 28 Ca 0.22 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.19 1naq h ALA 28 Cb 0.07 0.37 -0.07 0.00 0.00 0.00 0.00 17.79 18.17 1naq h ALA 28 CO -0.03 -0.75 0.34 0.00 0.00 0.00 0.00 179.25 178.81 1naq h ALA 29 N 0.38 0.94 -0.21 0.00 0.00 -1.03 -1.21 119.26 118.14 1naq h ALA 29 Ca 0.04 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1naq h ALA 29 Cb 0.45 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1naq h ALA 29 CO -0.15 -0.05 0.07 -0.22 0.00 0.00 0.00 179.25 178.90 1naq h LYS 30 N 0.59 0.32 0.00 0.00 1.63 -1.12 -1.09 116.57 116.90 1naq h LYS 30 Ca 0.34 -0.07 -0.07 0.00 -0.85 0.00 0.00 60.65 60.00 1naq h LYS 30 Cb 0.34 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.91 1naq h LYS 30 CO -0.26 0.40 -0.32 -0.39 -3.45 0.00 0.00 179.45 175.43 1naq h VAL 31 N 0.17 1.14 -0.26 2.00 -1.51 -1.01 -1.61 116.25 115.17 1naq h VAL 31 Ca 0.07 -1.14 -0.13 0.00 -1.23 0.00 0.00 66.70 64.27 1naq h VAL 31 Cb 0.21 1.63 -0.00 0.00 -2.13 0.00 0.00 31.29 31.00 1naq h VAL 31 CO -0.00 0.32 -0.34 -0.07 -1.23 0.00 0.00 177.57 176.24 1naq h LEU 32 N 0.00 0.74 -1.19 4.19 3.38 -1.18 -1.41 115.31 119.84 1naq h LEU 32 Ca -0.00 -0.50 -0.05 0.00 0.09 0.00 0.00 57.88 57.41 1naq h LEU 32 Cb 0.60 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1naq h LEU 32 CO 0.04 1.10 0.02 0.00 0.09 0.00 0.00 178.44 179.69 1naq h ALA 33 N 0.67 1.34 -0.00 1.53 0.00 -0.81 -1.29 119.26 120.70 1naq h ALA 33 Ca 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1naq h ALA 33 Cb 0.92 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1naq h ALA 33 CO 0.08 0.46 0.00 0.39 0.00 0.00 0.00 179.25 180.18 1naq n GLU 34 N -4.28 1.09 -3.78 0.00 -0.58 -0.64 -4.93 120.64 107.52 1naq n GLU 34 Ca 0.02 -0.13 -0.28 0.00 -0.42 0.00 0.00 57.16 56.35 1naq n GLU 34 Cb 0.24 -1.47 0.05 0.00 -0.57 0.00 0.00 31.44 29.69 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 -0.82 -6.54 0.03 3.49 5.02 -0.49 -4.89 118.16 113.97 1naq n LYS 35 Ca 0.22 0.69 0.11 0.00 -2.02 0.00 0.00 58.31 57.32 1naq n LYS 35 Cb 0.14 -5.65 -0.07 0.00 -0.02 0.00 0.00 35.03 29.43 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 -4.82 0.46 -4.01 -0.35 4.77 -0.56 -4.93 117.00 107.57 1naq n LEU 36 Ca 0.03 0.07 -0.10 0.00 -0.03 0.00 0.00 56.01 55.98 1naq n LEU 36 Cb 0.54 -0.04 -0.11 0.00 -2.33 0.00 0.00 43.42 41.48 1naq n LEU 36 CO 0.71 -0.03 -0.37 0.00 -1.33 0.00 0.00 177.39 176.37 1naq s ALA 37 N -3.36 0.26 -0.11 -1.18 0.00 -1.19 -4.65 121.76 111.53 1naq s ALA 37 Ca -0.02 -0.67 -0.12 0.00 0.00 0.00 0.00 51.96 51.15 1naq s ALA 37 Cb 0.13 0.13 -0.27 0.00 0.00 0.00 0.00 23.12 23.11 1naq s ALA 37 CO 0.84 -0.14 0.48 0.00 0.00 0.00 0.00 175.76 176.95 1naq h ALA 38 N 4.52 0.27 -3.65 0.00 0.00 -1.52 -3.40 119.26 115.48 1naq h ALA 38 Ca -0.33 -1.23 -0.27 0.00 0.00 0.00 0.00 54.91 53.09 1naq h ALA 38 Cb 1.20 0.58 -0.30 0.00 0.00 0.00 0.00 17.79 19.27 1naq h ALA 38 CO 0.42 1.04 -0.73 0.00 0.00 0.00 0.00 179.25 179.99 1naq s ALA 40 N 0.43 2.06 -0.13 0.00 0.00 -1.26 -1.34 121.76 121.50 1naq s ALA 40 Ca -0.04 -0.99 -0.03 0.00 0.00 0.00 0.00 51.96 50.90 1naq s ALA 40 Cb -0.05 -0.98 -0.03 0.00 0.00 0.00 0.00 23.12 22.05 1naq s ALA 40 CO -0.01 -0.13 -0.01 0.99 0.00 0.00 0.00 175.76 176.59 1naq s THR 41 N 1.02 4.13 -0.08 0.00 2.01 -0.05 -4.97 115.64 117.70 1naq s THR 41 Ca -0.04 -0.29 0.05 0.00 0.31 0.00 0.00 61.69 61.72 1naq s THR 41 Cb -0.15 -2.79 -0.00 0.00 0.01 0.00 0.00 72.50 69.57 1naq s THR 41 CO -0.05 0.53 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.41 1naq s LEU 42 N -0.06 2.06 -0.36 4.42 1.43 -1.26 -0.26 118.68 124.64 1naq s LEU 42 Ca 0.03 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 52.63 1naq s LEU 42 Cb -0.13 -1.35 0.11 0.00 0.03 0.00 0.00 46.19 44.85 1naq s LEU 42 CO 0.02 0.19 0.11 -0.63 0.23 0.00 0.00 176.35 176.27 1naq s ILE 43 N 0.14 1.71 0.87 -0.59 1.01 -0.19 -4.99 121.20 119.17 1naq s ILE 43 Ca -0.12 -2.16 -0.14 0.00 0.00 0.00 0.00 60.65 58.23 1naq s ILE 43 Cb -0.16 -2.25 0.13 0.00 0.01 0.00 0.00 42.46 40.19 1naq s ILE 43 CO 0.06 -0.69 1.23 -2.16 0.00 0.00 0.00 174.94 173.39 1naq s PRO 44 N 0.94 1.41 0.00 2.79 0.04 -1.26 -0.99 135.00 137.93 1naq s PRO 44 Ca 0.12 -0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.07 1naq s PRO 44 Cb -0.20 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1naq s PRO 44 CO -0.12 -1.95 0.00 0.41 0.04 0.00 0.00 177.00 175.39 1naq n GLY 45 N -3.45 0.77 3.78 0.56 0.00 -1.17 -4.92 105.19 100.77 1naq n GLY 45 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.96 2.69 -0.15 4.61 0.00 -0.63 -4.86 121.76 120.45 1naq s ALA 46 Ca 0.00 0.68 -0.03 0.00 0.00 0.00 0.00 51.96 52.61 1naq s ALA 46 Cb 0.00 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 1naq s ALA 46 CO 0.00 -0.80 -0.06 0.99 0.00 0.00 0.00 175.76 175.89 1naq s THR 47 N -2.00 3.62 -0.10 0.00 2.01 -1.26 -0.15 115.64 117.75 1naq s THR 47 Ca 0.69 -0.45 -0.00 0.00 0.31 0.00 0.00 61.69 62.24 1naq s THR 47 Cb -0.21 -2.57 -0.03 0.00 0.01 0.00 0.00 72.50 69.70 1naq s THR 47 CO 0.30 0.49 -0.08 -0.44 -0.69 0.00 0.00 174.62 174.21 1naq s SER 48 N 0.46 4.53 -0.08 3.53 0.01 -0.34 -4.93 113.70 116.88 1naq s SER 48 Ca -0.05 -0.11 0.04 0.00 1.31 0.00 0.00 55.95 57.14 1naq s SER 48 Cb -0.15 -1.36 -0.01 0.00 0.21 0.00 0.00 66.02 64.72 1naq s SER 48 CO 0.03 0.28 -0.22 -0.76 0.41 0.00 0.00 173.24 172.99 1naq s LEU 49 N -0.34 2.25 0.08 2.44 1.02 -1.26 -2.09 118.68 120.79 1naq s LEU 49 Ca 0.05 -0.46 -0.26 0.00 0.02 0.00 0.00 54.13 53.47 1naq s LEU 49 Cb -0.12 -1.44 0.08 0.00 0.02 0.00 0.00 46.19 44.72 1naq s LEU 49 CO 0.02 0.21 0.89 -0.72 0.02 0.00 0.00 176.35 176.78 1naq s TYR 50 N 0.03 -0.26 -0.08 0.29 -0.85 -1.08 -5.03 117.35 110.36 1naq s TYR 50 Ca -0.08 0.04 -0.15 0.00 -0.52 0.00 0.00 57.07 56.36 1naq s TYR 50 Cb -0.15 0.59 -0.05 0.00 0.38 0.00 0.00 41.96 42.73 1naq s TYR 50 CO 0.05 -0.71 0.39 0.71 -1.52 0.00 0.00 175.55 174.47 1naq s TYR 51 N -3.26 3.58 -0.14 -3.49 1.51 -1.26 -0.78 117.35 113.51 1naq s TYR 51 Ca 0.08 0.83 -0.00 0.00 -1.01 0.00 0.00 57.07 56.97 1naq s TYR 51 Cb -0.01 -2.37 0.03 0.00 -0.11 0.00 0.00 41.96 39.50 1naq s TYR 51 CO -0.04 0.39 -0.07 -0.46 -1.11 0.00 0.00 175.55 174.26 1naq s TRP 52 N -0.14 1.68 -1.76 2.71 -0.11 -0.67 -4.82 118.94 115.83 1naq s TRP 52 Ca 0.22 -0.98 0.00 0.00 1.22 0.00 0.00 56.10 56.56 1naq s TRP 52 Cb -0.15 -1.32 0.00 0.00 -1.50 0.00 0.00 33.47 30.50 1naq s TRP 52 CO 0.09 -0.59 0.00 0.39 -4.62 0.00 0.00 176.95 172.23 1naq n GLU 53 N 4.89 -1.67 -0.43 5.86 4.71 -1.26 -1.46 120.64 131.28 1naq n GLU 53 Ca -0.13 0.99 0.00 0.00 -0.01 0.00 0.00 57.16 58.01 1naq n GLU 53 Cb 0.49 -5.54 0.00 0.00 -1.01 0.00 0.00 31.44 25.38 1naq n GLU 53 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1naq n GLY 54 N -0.76 0.72 3.36 0.62 0.00 -1.26 -5.07 105.19 102.81 1naq n GLY 54 Ca -0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 1naq n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1naq s LYS 55 N -0.57 1.51 -0.31 1.61 0.00 -0.53 -5.10 119.74 116.35 1naq s LYS 55 Ca 0.00 -1.25 -0.29 0.00 0.00 0.00 0.00 55.97 54.43 1naq s LYS 55 Cb 0.00 -1.88 0.01 0.00 0.00 0.00 0.00 37.83 35.96 1naq s LYS 55 CO 0.00 0.46 1.10 -1.17 0.00 0.00 0.00 175.35 175.74 1naq s LEU 56 N -1.75 3.94 0.23 2.77 2.96 -1.26 -1.67 118.68 123.90 1naq s LEU 56 Ca 0.13 1.10 -0.07 0.00 -0.22 0.00 0.00 54.13 55.06 1naq s LEU 56 Cb -0.10 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 42.99 1naq s LEU 56 CO 0.04 -0.88 0.52 -1.61 -1.32 0.00 0.00 176.35 173.10 1naq s GLU 57 N 3.67 3.71 -0.12 1.98 0.41 0.04 -4.98 118.70 123.41 1naq s GLU 57 Ca 0.46 0.12 -0.04 0.00 -0.41 0.00 0.00 54.97 55.11 1naq s GLU 57 Cb -0.13 -2.68 0.06 0.00 -1.78 0.00 0.00 34.13 29.59 1naq s GLU 57 CO 0.16 0.31 0.13 -1.14 -0.49 0.00 0.00 175.26 174.22 1naq s GLN 58 N -3.03 0.04 0.10 1.61 0.74 -1.26 -2.65 119.66 115.22 1naq s GLN 58 Ca 0.45 0.27 0.04 0.00 0.05 0.00 0.00 55.36 56.17 1naq s GLN 58 Cb -0.11 -0.96 -0.04 0.00 1.10 0.00 0.00 33.01 33.01 1naq s GLN 58 CO 0.25 -0.48 -0.11 -1.21 -0.55 0.00 0.00 175.29 173.18 1naq s GLU 59 N 2.23 0.89 0.38 1.67 0.41 -0.89 -5.00 118.70 118.38 1naq s GLU 59 Ca 0.04 -1.19 -0.21 0.00 -0.41 0.00 0.00 54.97 53.20 1naq s GLU 59 Cb -0.14 -0.61 -0.10 0.00 -1.78 0.00 0.00 34.13 31.50 1naq s GLU 59 CO -0.07 0.10 0.91 0.71 -0.49 0.00 0.00 175.26 176.42 1naq s TYR 60 N -2.41 3.44 0.15 1.61 2.02 -1.26 -1.20 117.35 119.70 1naq s TYR 60 Ca 0.07 1.59 -0.09 0.00 -0.37 0.00 0.00 57.07 58.27 1naq s TYR 60 Cb -0.03 -2.82 -0.01 0.00 -0.40 0.00 0.00 41.96 38.71 1naq s TYR 60 CO 0.01 0.02 0.28 -1.21 -1.57 0.00 0.00 175.55 173.08 1naq s GLU 61 N -2.79 1.12 -0.19 -0.62 0.41 0.78 -4.84 118.70 112.56 1naq s GLU 61 Ca 0.57 -1.14 -0.01 0.00 -0.41 0.00 0.00 54.97 53.98 1naq s GLU 61 Cb -0.12 0.38 0.00 0.00 -1.78 0.00 0.00 34.13 32.61 1naq s GLU 61 CO 0.17 -0.40 -0.12 0.08 -0.49 0.00 0.00 175.26 174.49 1naq s VAL 62 N -3.95 2.78 -0.07 2.63 1.01 -0.70 -1.61 120.40 120.49 1naq s VAL 62 Ca 0.15 -0.70 -0.29 0.00 0.00 0.00 0.00 61.98 61.14 1naq s VAL 62 Cb 0.03 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 1naq s VAL 62 CO -0.02 0.48 0.97 -1.58 0.00 0.00 0.00 175.10 174.95 1naq s GLN 63 N 1.25 4.46 -0.05 2.72 2.00 -0.16 -2.17 119.66 127.71 1naq s GLN 63 Ca 0.03 1.34 -0.00 0.00 -2.00 0.00 0.00 55.36 54.72 1naq s GLN 63 Cb -0.14 -3.51 -0.03 0.00 0.80 0.00 0.00 33.01 30.12 1naq s GLN 63 CO -0.06 -0.20 -0.00 -1.64 -0.50 0.00 0.00 175.29 172.89 1naq s MET 64 N 1.61 2.89 -0.21 1.67 -1.94 0.77 -1.03 119.30 123.07 1naq s MET 64 Ca 0.48 -0.49 -0.02 0.00 -1.71 0.00 0.00 55.69 53.95 1naq s MET 64 Cb -0.19 -2.73 0.06 0.00 2.01 0.00 0.00 34.83 33.98 1naq s MET 64 CO 0.21 0.67 0.01 0.42 -0.01 0.00 0.00 175.02 176.32 1naq s ILE 65 N -0.96 0.83 -0.16 2.53 1.01 0.64 -2.61 121.20 122.48 1naq s ILE 65 Ca 0.16 -0.76 -0.03 0.00 0.00 0.00 0.00 60.65 60.02 1naq s ILE 65 Cb -0.11 -1.26 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 1naq s ILE 65 CO 0.05 -0.17 -0.06 -0.76 0.00 0.00 0.00 174.94 174.00 1naq s LEU 66 N 1.72 3.02 -0.19 2.97 1.43 0.44 -0.87 118.68 127.20 1naq s LEU 66 Ca -0.02 -0.25 -0.06 0.00 -1.03 0.00 0.00 54.13 52.77 1naq s LEU 66 Cb -0.18 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 1naq s LEU 66 CO -0.07 0.12 0.02 -0.54 0.23 0.00 0.00 176.35 176.11 1naq s LYS 67 N 0.64 3.74 0.37 1.70 1.02 -0.45 -0.23 119.74 126.52 1naq s LYS 67 Ca -0.04 -0.46 -0.04 0.00 0.02 0.00 0.00 55.97 55.45 1naq s LYS 67 Cb -0.15 -3.11 0.02 0.00 -0.52 0.00 0.00 37.83 34.07 1naq s LYS 67 CO 0.03 0.12 0.55 -0.08 -0.92 0.00 0.00 175.35 175.04 1naq s THR 68 N 0.75 0.00 0.25 2.17 -1.32 -1.06 -1.32 115.64 115.11 1naq s THR 68 Ca 0.01 -1.49 0.07 0.00 -1.21 0.00 0.00 61.69 59.07 1naq s THR 68 Cb -0.14 -2.74 -0.04 0.00 -1.51 0.00 0.00 72.50 68.07 1naq s THR 68 CO 0.02 0.00 0.20 0.42 -2.21 0.00 0.00 174.62 173.05 1naq s THR 69 N -2.75 4.48 0.50 5.08 -4.23 -1.26 -1.68 115.64 115.77 1naq s THR 69 Ca 0.28 -1.39 0.21 0.00 -1.18 0.00 0.00 61.69 59.61 1naq s THR 69 Cb -0.02 -3.42 0.36 0.00 1.34 0.00 0.00 72.50 70.77 1naq s THR 69 CO 0.20 -0.35 2.00 -0.37 -0.54 0.00 0.00 174.62 175.57 1naq h VAL 70 N 1.48 0.81 0.00 2.29 -1.51 -1.68 -0.74 116.25 116.89 1naq h VAL 70 Ca -0.49 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 1naq h VAL 70 Cb 1.24 0.67 0.00 0.00 -2.13 0.00 0.00 31.29 31.07 1naq h VAL 70 CO 0.61 0.02 0.00 -1.54 -1.23 0.00 0.00 177.57 175.43 1naq n SER 71 N -4.43 0.74 -0.30 4.19 3.41 -1.26 -2.88 113.62 113.09 1naq n SER 71 Ca 0.09 0.62 0.07 0.00 -0.26 0.00 0.00 58.87 59.39 1naq n SER 71 Cb 0.49 -0.80 -0.01 0.00 -0.26 0.00 0.00 64.21 63.63 1naq n SER 71 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1naq n HIS 72 N -2.25 0.00 -0.04 7.33 -0.00 -0.33 -4.74 115.22 115.19 1naq n HIS 72 Ca 0.04 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.63 1naq n HIS 72 Cb 0.32 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.24 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 1.49 -0.46 -0.52 -0.41 4.15 -1.30 -1.63 115.11 116.43 1naq h GLN 73 Ca 0.00 0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.43 1naq h GLN 73 Cb 0.48 0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.25 1naq h GLN 73 CO 0.00 -0.31 0.23 0.37 -1.93 0.00 0.00 178.83 177.19 1naq h GLN 74 N -0.48 0.76 -0.37 1.69 4.15 -1.85 -1.50 115.11 117.51 1naq h GLN 74 Ca 0.07 -0.12 -0.09 0.00 0.77 0.00 0.00 58.65 59.28 1naq h GLN 74 Cb 0.64 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.18 1naq h GLN 74 CO -0.47 0.65 -0.15 0.00 -1.93 0.00 0.00 178.83 176.93 1naq h ALA 75 N 1.07 1.05 0.34 3.38 0.00 -1.85 -0.92 119.26 122.33 1naq h ALA 75 Ca 0.18 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1naq h ALA 75 Cb 0.15 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1naq h ALA 75 CO -0.02 0.57 -0.16 1.25 0.00 0.00 0.00 179.25 180.89 1naq h LEU 76 N 0.60 -0.38 -1.01 0.00 5.85 -0.93 -1.96 115.31 117.49 1naq h LEU 76 Ca 0.10 -0.02 0.15 0.00 0.84 0.00 0.00 57.88 58.95 1naq h LEU 76 Cb 0.60 0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.63 1naq h LEU 76 CO 0.04 -0.23 0.63 -0.07 -0.34 0.00 0.00 178.44 178.47 1naq h LEU 77 N -0.51 0.87 -0.21 2.25 4.07 -1.00 -1.75 115.31 119.03 1naq h LEU 77 Ca -0.05 0.07 -0.05 0.00 0.08 0.00 0.00 57.88 57.93 1naq h LEU 77 Cb 0.38 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.02 1naq h LEU 77 CO 0.08 0.40 -0.06 -0.33 -1.08 0.00 0.00 178.44 177.45 1naq h GLU 78 N 0.90 0.41 -0.45 1.13 5.08 -1.02 -1.24 114.58 119.39 1naq h GLU 78 Ca 0.53 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.67 1naq h GLU 78 Cb 0.66 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1naq h GLU 78 CO -0.31 0.66 0.05 0.00 -1.00 0.00 0.00 179.01 178.41 1naq h LEU 80 N 0.62 0.64 -0.05 0.00 3.38 -1.35 -2.12 115.31 116.43 1naq h LEU 80 Ca 0.13 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 1naq h LEU 80 Cb 0.42 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1naq h LEU 80 CO 0.01 0.40 -0.20 0.50 0.09 0.00 0.00 178.44 179.24 1naq h LYS 81 N 0.77 0.23 -0.96 1.13 3.64 -0.95 -2.93 116.57 117.49 1naq h LYS 81 Ca 0.34 -0.17 0.23 0.00 -1.27 0.00 0.00 60.65 59.77 1naq h LYS 81 Cb 0.23 0.03 -0.12 0.00 -0.41 0.00 0.00 32.23 31.97 1naq h LYS 81 CO -0.20 0.81 0.53 0.77 -2.27 0.00 0.00 179.45 179.09 1naq h SER 82 N -0.31 0.59 1.13 4.20 0.02 -1.08 -1.60 113.55 116.51 1naq h SER 82 Ca -0.01 0.13 -0.09 0.00 -0.84 0.00 0.00 61.79 60.98 1naq h SER 82 Cb 0.84 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 1naq h SER 82 CO 0.04 0.10 -0.44 0.45 -1.14 0.00 0.00 176.83 175.84 1naq h HIS 83 N 0.56 0.00 -3.22 3.45 3.86 -1.23 -3.45 115.15 115.12 1naq h HIS 83 Ca 0.60 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 59.28 1naq h HIS 83 Cb 1.11 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.58 1naq h HIS 83 CO -0.05 0.44 0.57 -1.58 0.86 0.00 0.00 177.93 178.17 1naq s HIS 84 N -3.30 3.43 0.29 2.45 5.04 -0.60 -4.93 115.29 117.66 1naq s HIS 84 Ca 0.02 1.30 0.00 0.00 -1.54 0.00 0.00 55.06 54.84 1naq s HIS 84 Cb 0.09 -3.43 0.68 0.00 0.04 0.00 0.00 32.58 29.96 1naq s HIS 84 CO 0.71 -1.32 1.61 -1.35 -2.34 0.00 0.00 174.74 172.06 1naq h PRO 85 N 6.61 0.09 -0.44 2.88 0.11 -1.86 0.23 132.00 139.63 1naq h PRO 85 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1naq h PRO 85 Cb 1.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1naq h PRO 85 CO 0.81 0.06 0.00 0.66 -0.21 0.00 0.00 178.00 179.32 1naq n TYR 86 N -5.36 0.96 -2.18 0.65 4.02 -1.26 -4.95 117.16 109.03 1naq n TYR 86 Ca 0.21 -0.64 -0.17 0.00 -0.01 0.00 0.00 57.90 57.29 1naq n TYR 86 Cb 0.68 -0.18 -0.03 0.00 -0.02 0.00 0.00 39.34 39.80 1naq n TYR 86 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1naq n GLN 87 N 0.48 -1.78 -3.38 -0.72 3.00 0.81 -4.93 117.38 110.86 1naq n GLN 87 Ca 0.19 0.88 -0.26 0.00 -0.01 0.00 0.00 57.00 57.81 1naq n GLN 87 Cb 0.72 -5.44 -0.08 0.00 0.00 0.00 0.00 30.24 25.44 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 -3.32 0.41 -2.22 5.09 -2.24 -1.26 -4.94 114.28 105.80 1naq n THR 88 Ca -0.20 -4.38 -0.37 0.00 -2.27 0.00 0.00 64.05 56.84 1naq n THR 88 Cb 0.63 -1.98 -0.01 0.00 -2.10 0.00 0.00 70.33 66.88 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 -1.39 3.70 -1.26 -0.78 0.04 -1.26 -4.90 135.00 129.15 1naq s PRO 89 Ca 0.35 1.81 -0.19 0.00 0.04 0.00 0.00 61.00 63.01 1naq s PRO 89 Cb 0.11 -2.39 0.06 0.00 0.04 0.00 0.00 34.50 32.33 1naq s PRO 89 CO -0.10 -0.61 1.71 -2.00 0.04 0.00 0.00 177.00 176.04 1naq s GLU 90 N -2.72 3.90 -0.16 4.56 2.12 -1.26 -4.92 118.70 120.22 1naq s GLU 90 Ca 0.64 -1.87 0.01 0.00 0.36 0.00 0.00 54.97 54.11 1naq s GLU 90 Cb -0.30 -5.51 0.02 0.00 0.26 0.00 0.00 34.13 28.61 1naq s GLU 90 CO 0.36 -2.30 -0.17 -1.17 -0.54 0.00 0.00 175.26 171.44 1naq s LEU 91 N 4.49 1.91 -0.02 2.70 0.20 -1.26 -3.69 118.68 123.02 1naq s LEU 91 Ca 0.53 -0.57 0.01 0.00 0.69 0.00 0.00 54.13 54.79 1naq s LEU 91 Cb 0.03 -1.33 0.01 0.00 -0.43 0.00 0.00 46.19 44.48 1naq s LEU 91 CO 0.06 -0.03 -0.04 -0.76 -0.29 0.00 0.00 176.35 175.29 1naq s LEU 92 N 1.39 1.59 -0.17 -0.68 1.43 -0.81 -5.00 118.68 116.43 1naq s LEU 92 Ca 0.05 -0.09 -0.03 0.00 -1.03 0.00 0.00 54.13 53.03 1naq s LEU 92 Cb -0.13 -0.32 -0.02 0.00 0.03 0.00 0.00 46.19 45.75 1naq s LEU 92 CO -0.12 -0.01 -0.06 -0.69 0.23 0.00 0.00 176.35 175.70 1naq s VAL 93 N 0.48 3.57 -0.16 -1.59 1.01 -1.26 -0.33 120.40 122.11 1naq s VAL 93 Ca -0.06 -0.46 -0.04 0.00 0.00 0.00 0.00 61.98 61.42 1naq s VAL 93 Cb -0.09 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 1naq s VAL 93 CO -0.00 0.48 -0.03 -0.76 0.00 0.00 0.00 175.10 174.79 1naq s LEU 94 N 0.67 3.28 0.41 3.92 1.43 0.51 -5.01 118.68 123.89 1naq s LEU 94 Ca -0.03 -0.13 -0.25 0.00 -1.03 0.00 0.00 54.13 52.69 1naq s LEU 94 Cb -0.15 -1.80 -0.08 0.00 0.03 0.00 0.00 46.19 44.19 1naq s LEU 94 CO 0.02 0.15 1.14 -2.16 0.23 0.00 0.00 176.35 175.74 1naq s PRO 95 N 0.46 4.05 -0.18 1.29 0.04 -1.26 -2.41 135.00 136.99 1naq s PRO 95 Ca -0.03 1.76 -0.05 0.00 0.04 0.00 0.00 61.00 62.72 1naq s PRO 95 Cb -0.14 -2.62 -0.03 0.00 0.04 0.00 0.00 34.50 31.75 1naq s PRO 95 CO 0.03 -0.31 0.01 0.08 0.04 0.00 0.00 177.00 176.85 1naq s VAL 96 N -1.47 4.16 -0.12 -0.36 1.01 -1.24 -4.89 120.40 117.48 1naq s VAL 96 Ca 0.58 -0.25 0.19 0.00 0.00 0.00 0.00 61.98 62.50 1naq s VAL 96 Cb -0.29 -2.86 -0.24 0.00 0.00 0.00 0.00 36.38 32.99 1naq s VAL 96 CO 0.36 0.45 0.46 0.41 0.00 0.00 0.00 175.10 176.78 1naq n THR 97 N 3.85 0.86 -3.69 3.92 -1.04 -1.26 -4.72 114.28 112.20 1naq n THR 97 Ca -0.17 -0.68 -0.01 0.00 -2.04 0.00 0.00 64.05 61.15 1naq n THR 97 Cb 0.52 -0.40 0.01 0.00 -1.82 0.00 0.00 70.33 68.64 1naq n THR 97 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1naq n HIS 98 N -2.63 -0.80 -3.61 -1.42 -0.00 -1.26 -5.12 115.22 100.37 1naq n HIS 98 Ca -0.16 -0.52 0.00 0.00 0.46 0.00 0.00 57.72 57.50 1naq n HIS 98 Cb 0.86 0.25 0.00 0.00 -0.12 0.00 0.00 29.99 30.98 1naq n HIS 98 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1naq n GLY 99 N -0.34 -0.71 3.68 1.57 0.00 -1.26 -5.09 105.19 103.03 1naq n GLY 99 Ca -0.00 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 1naq n GLY 99 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1naq s ASP 100 N -4.00 6.59 0.27 1.61 2.15 -1.26 -4.94 116.67 117.09 1naq s ASP 100 Ca 0.00 2.46 -0.03 0.00 0.43 0.00 0.00 52.55 55.41 1naq s ASP 100 Cb 0.00 -2.55 0.36 0.00 -0.30 0.00 0.00 42.92 40.43 1naq s ASP 100 CO 0.00 -0.93 1.87 0.74 -0.17 0.00 0.00 175.17 176.68 1naq h THR 101 N 5.14 1.23 -0.19 1.71 2.02 -1.98 0.04 112.91 120.88 1naq h THR 101 Ca -0.43 -0.65 -0.21 0.00 0.77 0.00 0.00 66.41 65.90 1naq h THR 101 Cb 1.20 0.32 0.01 0.00 -1.74 0.00 0.00 68.15 67.93 1naq h THR 101 CO 0.94 0.27 -0.70 0.44 0.37 0.00 0.00 175.52 176.84 1naq h ASP 102 N 1.02 0.90 -0.50 4.18 5.19 -1.99 -1.15 116.42 124.06 1naq h ASP 102 Ca 0.25 -0.55 -0.01 0.00 -0.62 0.00 0.00 57.03 56.09 1naq h ASP 102 Cb 0.11 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 39.33 1naq h ASP 102 CO -0.03 1.34 0.27 0.22 -3.12 0.00 0.00 179.24 177.93 1naq h TYR 103 N 0.55 0.69 -0.58 4.55 5.03 -1.92 -1.96 116.97 123.33 1naq h TYR 103 Ca -0.03 -0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.20 1naq h TYR 103 Cb 1.31 -0.22 -0.03 0.00 1.55 0.00 0.00 36.73 39.35 1naq h TYR 103 CO 0.08 0.51 0.13 -0.07 -1.32 0.00 0.00 178.16 177.48 1naq h LEU 104 N 0.66 0.86 -0.47 2.82 4.07 -0.88 -1.14 115.31 121.23 1naq h LEU 104 Ca 0.18 -0.17 0.06 0.00 0.08 0.00 0.00 57.88 58.03 1naq h LEU 104 Cb 0.05 -0.23 -0.05 0.00 1.08 0.00 0.00 40.66 41.51 1naq h LEU 104 CO -0.03 0.85 0.17 0.28 -1.08 0.00 0.00 178.44 178.63 1naq h SER 105 N 0.87 0.19 -0.59 -0.43 0.02 -0.98 -2.04 113.55 110.59 1naq h SER 105 Ca 0.19 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.16 1naq h SER 105 Cb 0.34 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 1naq h SER 105 CO 0.00 0.14 0.28 -0.25 -1.14 0.00 0.00 176.83 175.86 1naq h TRP 106 N 0.35 0.88 -0.63 3.45 7.01 -0.95 0.34 115.95 126.41 1naq h TRP 106 Ca 0.22 -0.04 0.08 0.00 2.11 0.00 0.00 58.89 61.26 1naq h TRP 106 Cb 0.21 -0.28 -0.06 0.00 -2.10 0.00 0.00 29.16 26.93 1naq h TRP 106 CO -0.15 0.66 0.29 -0.07 -2.79 0.00 0.00 178.44 176.38 1naq h LEU 107 N 0.88 0.38 -0.18 0.65 3.38 -0.58 -2.83 115.31 117.02 1naq h LEU 107 Ca 0.22 0.05 -0.22 0.00 0.09 0.00 0.00 57.88 58.02 1naq h LEU 107 Cb 0.12 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1naq h LEU 107 CO -0.03 0.23 -0.95 -1.13 0.09 0.00 0.00 178.44 176.66 1naq h ASN 108 N 0.53 0.43 0.00 -0.43 -0.73 -0.86 -2.86 115.58 111.66 1naq h ASN 108 Ca 0.30 -0.36 0.00 0.00 1.87 0.00 0.00 56.30 58.11 1naq h ASN 108 Cb 0.29 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 38.75 1naq h ASN 108 CO -0.24 1.17 0.33 0.00 -0.37 0.00 0.00 177.43 178.32 1naq h ALA 109 N 0.80 1.32 -0.32 1.57 0.00 -0.70 -2.15 119.26 119.79 1naq h ALA 109 Ca -0.07 0.00 -0.70 0.00 0.00 0.00 0.00 54.91 54.13 1naq h ALA 109 Cb 1.60 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.33 1naq h ALA 109 CO 0.16 -0.32 2.79 0.45 0.00 0.00 0.00 179.25 182.33 1naq n SER 110 N -2.79 4.26 0.00 0.00 2.88 -1.08 -5.09 113.62 111.80 1naq n SER 110 Ca -0.02 -2.88 0.00 0.00 -1.33 0.00 0.00 58.87 54.65 1naq n SER 110 Cb 0.38 -1.68 0.00 0.00 -0.75 0.00 0.00 64.21 62.16 1naq n SER 110 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70