#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 0.00 -0.18 -0.44 -2.24 -1.26 -5.12 114.28 105.04 1naq n THR 9 Ca 0.00 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 1naq n THR 9 Cb 0.00 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.22 1naq n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1naq n ALA 10 N -0.44 -0.35 -2.58 6.98 0.00 -1.26 -4.84 120.51 118.02 1naq n ALA 10 Ca 0.00 0.06 -0.22 0.00 0.00 0.00 0.00 53.44 53.27 1naq n ALA 10 Cb 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 19.45 19.24 1naq n ALA 10 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1naq s SER 11 N 0.22 6.11 0.10 0.00 1.04 -1.26 -1.26 113.70 118.66 1naq s SER 11 Ca 0.11 0.25 -0.04 0.00 0.48 0.00 0.00 55.95 56.75 1naq s SER 11 Cb -0.15 -1.74 -0.03 0.00 0.10 0.00 0.00 66.02 64.20 1naq s SER 11 CO 0.08 -0.40 0.09 0.68 0.98 0.00 0.00 173.24 174.67 1naq s VAL 12 N -2.32 0.15 -0.16 5.02 -7.23 -0.15 -4.41 120.40 111.29 1naq s VAL 12 Ca 0.42 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 58.96 1naq s VAL 12 Cb -0.10 -1.68 0.00 0.00 0.56 0.00 0.00 36.38 35.17 1naq s VAL 12 CO 0.35 -0.67 -0.15 -0.69 -0.31 0.00 0.00 175.10 173.63 1naq s VAL 13 N -3.95 2.61 -0.23 1.32 1.01 -1.14 -2.83 120.40 117.19 1naq s VAL 13 Ca 0.13 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 1naq s VAL 13 Cb 0.06 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 34.34 1naq s VAL 13 CO -0.05 0.51 -0.05 0.68 0.00 0.00 0.00 175.10 176.19 1naq s VAL 14 N 0.96 3.23 0.17 2.92 -7.23 -0.18 -0.89 120.40 119.38 1naq s VAL 14 Ca -0.03 -0.65 -0.26 0.00 -1.81 0.00 0.00 61.98 59.24 1naq s VAL 14 Cb -0.15 -2.52 -0.08 0.00 0.56 0.00 0.00 36.38 34.20 1naq s VAL 14 CO -0.03 0.36 0.79 -0.76 -0.31 0.00 0.00 175.10 175.15 1naq s LEU 15 N 1.44 4.59 0.12 1.32 1.43 0.27 -0.73 118.68 127.13 1naq s LEU 15 Ca 0.04 1.66 -0.11 0.00 -1.03 0.00 0.00 54.13 54.70 1naq s LEU 15 Cb -0.15 -3.32 0.00 0.00 0.03 0.00 0.00 46.19 42.75 1naq s LEU 15 CO -0.04 0.19 0.28 0.00 0.23 0.00 0.00 176.35 177.01 1naq s THR 17 N -3.88 2.64 0.12 0.00 2.01 -1.25 -0.27 115.64 115.00 1naq s THR 17 Ca 0.08 -0.86 0.06 0.00 0.31 0.00 0.00 61.69 61.28 1naq s THR 17 Cb 0.03 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 1naq s THR 17 CO -0.07 0.57 -0.13 0.00 -0.69 0.00 0.00 174.62 174.29 1naq s ALA 18 N -0.31 1.42 0.29 7.40 0.00 -0.59 -4.70 121.76 125.28 1naq s ALA 18 Ca 0.02 -1.26 0.25 0.00 0.00 0.00 0.00 51.96 50.96 1naq s ALA 18 Cb -0.13 -0.06 1.16 0.00 0.00 0.00 0.00 23.12 24.09 1naq s ALA 18 CO 0.03 0.08 1.94 -1.00 0.00 0.00 0.00 175.76 176.81 1naq h PRO 19 N 3.57 0.00 -2.24 0.00 0.13 -1.90 0.98 132.00 132.54 1naq h PRO 19 Ca -0.39 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 64.93 1naq h PRO 19 Cb 1.19 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.24 1naq h PRO 19 CO 0.50 0.19 0.53 0.16 -0.23 0.00 0.00 178.00 179.16 1naq s ASP 20 N -6.23 -0.15 0.16 1.44 1.47 -1.26 -4.52 116.67 107.58 1naq s ASP 20 Ca -0.01 -0.39 -0.10 0.00 1.18 0.00 0.00 52.55 53.22 1naq s ASP 20 Cb 0.12 0.45 0.02 0.00 -0.34 0.00 0.00 42.92 43.17 1naq s ASP 20 CO 0.62 -0.84 1.58 -0.33 0.68 0.00 0.00 175.17 176.88 1naq h GLU 21 N 2.00 1.02 0.07 2.11 3.07 -1.97 -0.84 114.58 120.04 1naq h GLU 21 Ca -0.25 -0.40 -0.00 0.00 -0.50 0.00 0.00 59.36 58.21 1naq h GLU 21 Cb 1.23 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 1naq h GLU 21 CO 0.26 1.08 -0.03 0.00 -1.40 0.00 0.00 179.01 178.93 1naq h ALA 22 N 0.90 -0.09 -0.19 3.43 0.00 -1.99 -0.25 119.26 121.08 1naq h ALA 22 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1naq h ALA 22 Cb 0.72 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1naq h ALA 22 CO 0.05 -0.54 0.12 1.15 0.00 0.00 0.00 179.25 180.04 1naq h THR 23 N -0.12 1.06 -0.14 0.00 2.02 -1.94 -1.24 112.91 112.55 1naq h THR 23 Ca -0.01 -0.14 0.03 0.00 0.77 0.00 0.00 66.41 67.06 1naq h THR 23 Cb 0.09 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 1naq h THR 23 CO 0.02 0.06 -0.03 0.00 0.37 0.00 0.00 175.52 175.93 1naq h ALA 24 N 1.05 0.10 -0.93 6.16 0.00 -1.09 -1.72 119.26 122.82 1naq h ALA 24 Ca 0.07 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1naq h ALA 24 Cb -0.00 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1naq h ALA 24 CO -0.01 -0.48 0.61 1.96 0.00 0.00 0.00 179.25 181.33 1naq h GLN 25 N 0.01 1.19 -0.03 0.00 4.20 -0.96 -1.62 115.11 117.90 1naq h GLN 25 Ca 0.07 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1naq h GLN 25 Cb 0.10 -0.27 -0.00 0.00 0.30 0.00 0.00 27.48 27.61 1naq h GLN 25 CO -0.14 0.79 0.02 -0.44 -0.67 0.00 0.00 178.83 178.38 1naq h ASP 26 N 1.23 0.04 -0.59 1.46 5.19 -1.04 -1.83 116.42 120.89 1naq h ASP 26 Ca 0.35 -0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.64 1naq h ASP 26 Cb -0.09 -0.01 -0.03 0.00 0.18 0.00 0.00 39.33 39.38 1naq h ASP 26 CO -0.09 0.14 0.32 0.25 -3.12 0.00 0.00 179.24 176.73 1naq h LEU 27 N -0.06 0.74 -0.77 1.55 5.85 -1.27 -1.86 115.31 119.50 1naq h LEU 27 Ca 0.01 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 1naq h LEU 27 Cb 0.11 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 1naq h LEU 27 CO -0.00 0.63 0.39 0.00 -0.34 0.00 0.00 178.44 179.12 1naq h ALA 28 N 1.14 0.99 -0.79 1.25 0.00 -1.25 -1.70 119.26 118.90 1naq h ALA 28 Ca 0.21 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1naq h ALA 28 Cb 0.06 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 1naq h ALA 28 CO -0.03 0.53 0.42 0.00 0.00 0.00 0.00 179.25 180.17 1naq h ALA 29 N 1.20 1.26 0.24 0.00 0.00 -0.94 -1.67 119.26 119.36 1naq h ALA 29 Ca 0.27 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1naq h ALA 29 Cb 0.09 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1naq h ALA 29 CO -0.04 0.59 -0.12 0.87 0.00 0.00 0.00 179.25 180.56 1naq h LYS 30 N 1.10 -0.32 -0.17 0.00 1.57 -0.81 -1.73 116.57 116.21 1naq h LYS 30 Ca 0.28 0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.99 1naq h LYS 30 Cb 0.04 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1naq h LYS 30 CO -0.04 -0.02 -0.28 -0.39 -0.57 0.00 0.00 179.45 178.15 1naq h VAL 31 N -0.62 1.26 -0.50 0.50 -1.51 -1.26 -2.17 116.25 111.95 1naq h VAL 31 Ca -0.03 -1.24 -0.00 0.00 -1.23 0.00 0.00 66.70 64.19 1naq h VAL 31 Cb 0.44 1.44 -0.02 0.00 -2.13 0.00 0.00 31.29 31.02 1naq h VAL 31 CO 0.05 0.38 0.30 -0.07 -1.23 0.00 0.00 177.57 177.01 1naq h LEU 32 N 0.29 0.60 -0.76 4.19 3.38 -1.31 -1.02 115.31 120.68 1naq h LEU 32 Ca 0.04 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1naq h LEU 32 Cb 0.65 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1naq h LEU 32 CO 0.05 0.48 0.37 0.00 0.09 0.00 0.00 178.44 179.43 1naq h ALA 33 N 1.14 0.97 0.00 1.53 0.00 -0.91 -1.71 119.26 120.29 1naq h ALA 33 Ca 0.18 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1naq h ALA 33 Cb -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1naq h ALA 33 CO -0.03 0.53 0.00 0.39 0.00 0.00 0.00 179.25 180.14 1naq n GLU 34 N -4.40 0.90 -3.80 0.00 1.02 -0.85 -4.92 120.64 108.59 1naq n GLU 34 Ca 0.07 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.95 1naq n GLU 34 Cb 0.13 -1.33 0.03 0.00 -0.02 0.00 0.00 31.44 30.25 1naq n GLU 34 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1naq n LYS 35 N -0.83 -5.09 -0.00 3.49 5.02 -0.64 -4.90 118.16 115.21 1naq n LYS 35 Ca 0.14 0.60 0.10 0.00 -2.02 0.00 0.00 58.31 57.14 1naq n LYS 35 Cb 0.07 -5.27 -0.13 0.00 -0.02 0.00 0.00 35.03 29.67 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 -4.45 0.72 -3.91 -0.35 4.77 -0.41 -4.93 117.00 108.44 1naq n LEU 36 Ca -0.16 -0.36 -0.10 0.00 -0.03 0.00 0.00 56.01 55.36 1naq n LEU 36 Cb 0.62 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.60 1naq n LEU 36 CO 0.72 0.18 -0.24 0.00 -1.33 0.00 0.00 177.39 176.72 1naq s ALA 37 N -3.15 -0.16 -0.06 -1.18 0.00 -1.23 -4.64 121.76 111.33 1naq s ALA 37 Ca 0.03 -0.31 -0.05 0.00 0.00 0.00 0.00 51.96 51.64 1naq s ALA 37 Cb 0.15 0.13 -0.28 0.00 0.00 0.00 0.00 23.12 23.13 1naq s ALA 37 CO 0.88 -0.19 0.59 0.00 0.00 0.00 0.00 175.76 177.04 1naq h ALA 38 N 4.38 0.36 -2.71 0.00 0.00 -1.09 -3.40 119.26 116.80 1naq h ALA 38 Ca -0.31 -1.27 -0.14 0.00 0.00 0.00 0.00 54.91 53.19 1naq h ALA 38 Cb 1.20 0.52 -0.21 0.00 0.00 0.00 0.00 17.79 19.30 1naq h ALA 38 CO 0.41 1.22 -0.39 0.00 0.00 0.00 0.00 179.25 180.49 1naq s ALA 40 N -1.16 1.61 -0.12 0.00 0.00 -1.26 -1.66 121.76 119.17 1naq s ALA 40 Ca -0.12 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.02 1naq s ALA 40 Cb -0.06 -0.41 -0.00 0.00 0.00 0.00 0.00 23.12 22.64 1naq s ALA 40 CO 0.02 0.39 -0.19 0.99 0.00 0.00 0.00 175.76 176.98 1naq s THR 41 N -0.44 2.50 -0.14 0.00 2.01 0.20 -4.97 115.64 114.79 1naq s THR 41 Ca 0.07 -0.85 0.02 0.00 0.31 0.00 0.00 61.69 61.24 1naq s THR 41 Cb -0.08 -2.01 0.00 0.00 0.01 0.00 0.00 72.50 70.42 1naq s THR 41 CO -0.01 0.54 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.51 1naq s LEU 42 N 0.48 2.28 -0.39 4.42 1.43 -1.26 0.23 118.68 125.86 1naq s LEU 42 Ca -0.13 -0.54 -0.03 0.00 -1.03 0.00 0.00 54.13 52.41 1naq s LEU 42 Cb -0.17 -1.49 0.10 0.00 0.03 0.00 0.00 46.19 44.66 1naq s LEU 42 CO 0.05 0.09 0.17 -0.63 0.23 0.00 0.00 176.35 176.26 1naq s ILE 43 N 0.76 3.28 0.71 -0.59 1.01 -0.10 -4.98 121.20 121.29 1naq s ILE 43 Ca -0.08 -1.88 -0.08 0.00 0.00 0.00 0.00 60.65 58.61 1naq s ILE 43 Cb -0.16 -3.17 0.06 0.00 0.01 0.00 0.00 42.46 39.20 1naq s ILE 43 CO 0.00 -0.56 1.03 -2.16 0.00 0.00 0.00 174.94 173.25 1naq s PRO 44 N 1.18 2.28 0.00 2.79 0.04 -1.26 -1.67 135.00 138.36 1naq s PRO 44 Ca 0.05 -0.12 0.00 0.00 0.04 0.00 0.00 61.00 60.97 1naq s PRO 44 Cb -0.22 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.18 1naq s PRO 44 CO -0.03 -1.22 0.00 0.41 0.04 0.00 0.00 177.00 176.19 1naq n GLY 45 N -2.95 0.46 3.83 0.56 0.00 -1.18 -4.93 105.19 100.98 1naq n GLY 45 Ca 0.08 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.00 2.57 -0.10 4.61 0.00 -0.94 -4.91 121.76 120.99 1naq s ALA 46 Ca 0.00 -0.17 0.03 0.00 0.00 0.00 0.00 51.96 51.82 1naq s ALA 46 Cb 0.00 -3.10 0.01 0.00 0.00 0.00 0.00 23.12 20.03 1naq s ALA 46 CO 0.00 -1.39 -0.20 0.99 0.00 0.00 0.00 175.76 175.16 1naq s THR 47 N -3.18 1.79 -0.11 0.00 2.01 -1.26 -1.77 115.64 113.12 1naq s THR 47 Ca 0.59 -0.85 -0.00 0.00 0.31 0.00 0.00 61.69 61.74 1naq s THR 47 Cb -0.13 -1.58 -0.02 0.00 0.01 0.00 0.00 72.50 70.77 1naq s THR 47 CO 0.54 0.50 -0.09 -0.44 -0.69 0.00 0.00 174.62 174.43 1naq s SER 48 N 0.58 4.38 -0.01 3.53 0.01 -0.15 -4.93 113.70 117.10 1naq s SER 48 Ca -0.14 -0.17 0.08 0.00 1.31 0.00 0.00 55.95 57.02 1naq s SER 48 Cb -0.17 -1.40 -0.02 0.00 0.21 0.00 0.00 66.02 64.64 1naq s SER 48 CO 0.05 0.25 -0.24 -0.76 0.41 0.00 0.00 173.24 172.94 1naq s LEU 49 N -0.15 2.17 -0.14 2.44 1.02 -1.26 -1.91 118.68 120.84 1naq s LEU 49 Ca 0.01 -0.46 -0.32 0.00 0.02 0.00 0.00 54.13 53.38 1naq s LEU 49 Cb -0.13 -1.36 0.13 0.00 0.02 0.00 0.00 46.19 44.85 1naq s LEU 49 CO 0.03 0.31 1.10 -0.72 0.02 0.00 0.00 176.35 177.09 1naq s TYR 50 N -0.67 -0.22 -0.01 0.29 -0.85 -1.10 -5.00 117.35 109.80 1naq s TYR 50 Ca 0.11 0.20 -0.24 0.00 -0.52 0.00 0.00 57.07 56.62 1naq s TYR 50 Cb -0.10 0.51 -0.05 0.00 0.38 0.00 0.00 41.96 42.70 1naq s TYR 50 CO -0.00 -0.30 0.75 0.71 -1.52 0.00 0.00 175.55 175.18 1naq s TYR 51 N -2.26 3.66 -0.08 -3.49 1.51 -1.26 -0.81 117.35 114.62 1naq s TYR 51 Ca 0.06 1.38 0.02 0.00 -1.01 0.00 0.00 57.07 57.53 1naq s TYR 51 Cb -0.01 -2.82 0.01 0.00 -0.11 0.00 0.00 41.96 39.03 1naq s TYR 51 CO -0.05 0.18 -0.15 -0.46 -1.11 0.00 0.00 175.55 173.96 1naq s TRP 52 N 0.37 1.78 -1.02 2.71 -0.00 -0.51 -4.83 118.94 117.44 1naq s TRP 52 Ca 0.39 -0.73 -0.03 0.00 -0.00 0.00 0.00 56.10 55.73 1naq s TRP 52 Cb -0.19 -1.28 0.00 0.00 -0.00 0.00 0.00 33.47 32.01 1naq s TRP 52 CO 0.21 -0.36 0.05 0.39 -0.00 0.00 0.00 176.95 177.24 1naq n GLU 53 N 3.91 -0.91 0.00 5.86 -0.58 -1.26 -2.21 120.64 125.46 1naq n GLU 53 Ca -0.21 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.57 1naq n GLU 53 Cb 0.52 -2.29 0.00 0.00 -0.57 0.00 0.00 31.44 29.10 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 -2.03 2.27 3.33 0.62 0.00 -1.26 -5.07 105.19 103.04 1naq n GLY 54 Ca -0.21 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.94 1.27 0.11 1.61 2.47 -0.94 -5.10 119.74 118.22 1naq s LYS 55 Ca 0.00 -1.43 -0.31 0.00 -1.56 0.00 0.00 55.97 52.67 1naq s LYS 55 Cb 0.00 -1.27 -0.08 0.00 -1.46 0.00 0.00 37.83 35.02 1naq s LYS 55 CO 0.00 0.25 1.48 -1.17 0.16 0.00 0.00 175.35 176.07 1naq s LEU 56 N -2.77 4.36 0.11 5.43 2.96 -1.26 -1.43 118.68 126.08 1naq s LEU 56 Ca 0.17 2.40 0.10 0.00 -0.22 0.00 0.00 54.13 56.58 1naq s LEU 56 Cb -0.05 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.02 1naq s LEU 56 CO 0.06 -0.75 -0.24 -1.61 -1.32 0.00 0.00 176.35 172.49 1naq s GLU 57 N 1.52 1.58 -0.08 1.98 0.41 0.01 -4.94 118.70 119.18 1naq s GLU 57 Ca 0.67 -1.26 -0.03 0.00 -0.41 0.00 0.00 54.97 53.95 1naq s GLU 57 Cb -0.39 -1.97 0.04 0.00 -1.78 0.00 0.00 34.13 30.03 1naq s GLU 57 CO 0.30 0.47 0.15 -1.14 -0.49 0.00 0.00 175.26 174.55 1naq s GLN 58 N -1.92 0.05 -0.00 1.61 0.74 -1.26 -2.71 119.66 116.17 1naq s GLN 58 Ca 0.15 0.49 -0.12 0.00 0.05 0.00 0.00 55.36 55.93 1naq s GLN 58 Cb -0.10 -0.25 0.01 0.00 1.10 0.00 0.00 33.01 33.77 1naq s GLN 58 CO 0.06 -0.26 0.24 -1.21 -0.55 0.00 0.00 175.29 173.57 1naq s GLU 59 N 1.89 0.61 0.52 1.67 0.41 -0.80 -4.98 118.70 118.02 1naq s GLU 59 Ca -0.01 -0.32 -0.22 0.00 -0.41 0.00 0.00 54.97 54.01 1naq s GLU 59 Cb -0.12 0.26 -0.06 0.00 -1.78 0.00 0.00 34.13 32.44 1naq s GLU 59 CO -0.06 -0.16 1.25 0.71 -0.49 0.00 0.00 175.26 176.51 1naq s TYR 60 N -1.52 2.55 0.17 1.61 4.12 -1.26 -0.98 117.35 122.04 1naq s TYR 60 Ca -0.13 1.47 -0.07 0.00 0.02 0.00 0.00 57.07 58.36 1naq s TYR 60 Cb -0.06 -3.56 -0.02 0.00 -1.52 0.00 0.00 41.96 36.81 1naq s TYR 60 CO 0.02 -2.18 0.24 -1.21 0.02 0.00 0.00 175.55 172.44 1naq s GLU 61 N -2.90 1.14 -0.21 -0.62 0.41 -0.73 -4.82 118.70 110.97 1naq s GLU 61 Ca 0.69 -1.27 -0.05 0.00 -0.41 0.00 0.00 54.97 53.93 1naq s GLU 61 Cb -0.33 0.35 -0.02 0.00 -1.78 0.00 0.00 34.13 32.34 1naq s GLU 61 CO 0.39 -0.40 -0.00 0.08 -0.49 0.00 0.00 175.26 174.84 1naq s VAL 62 N -4.00 3.87 -0.28 2.63 1.01 0.34 -2.20 120.40 121.76 1naq s VAL 62 Ca 0.21 -0.34 -0.22 0.00 0.00 0.00 0.00 61.98 61.63 1naq s VAL 62 Cb 0.04 -2.76 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 1naq s VAL 62 CO 0.02 0.42 0.70 -1.58 0.00 0.00 0.00 175.10 174.66 1naq s GLN 63 N 1.14 4.02 -0.01 2.72 2.00 -0.67 -1.55 119.66 127.31 1naq s GLN 63 Ca 0.03 0.54 -0.08 0.00 -2.00 0.00 0.00 55.36 53.84 1naq s GLN 63 Cb -0.14 -3.69 -0.05 0.00 0.80 0.00 0.00 33.01 29.92 1naq s GLN 63 CO 0.01 -0.55 0.27 -1.64 -0.50 0.00 0.00 175.29 172.89 1naq s MET 64 N 2.71 3.62 -0.20 1.67 -1.94 0.63 -0.93 119.30 124.86 1naq s MET 64 Ca 0.29 0.01 -0.02 0.00 -1.71 0.00 0.00 55.69 54.25 1naq s MET 64 Cb -0.15 -3.12 0.06 0.00 2.01 0.00 0.00 34.83 33.64 1naq s MET 64 CO 0.10 0.67 0.02 0.42 -0.01 0.00 0.00 175.02 176.23 1naq s ILE 65 N -1.22 0.69 -0.11 2.53 1.01 0.13 -2.33 121.20 121.90 1naq s ILE 65 Ca 0.25 -0.67 -0.04 0.00 0.00 0.00 0.00 60.65 60.19 1naq s ILE 65 Cb -0.14 -1.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 1naq s ILE 65 CO 0.13 -0.19 0.05 -0.76 0.00 0.00 0.00 174.94 174.17 1naq s LEU 66 N 1.78 3.85 -0.20 2.97 1.43 0.10 -0.63 118.68 127.97 1naq s LEU 66 Ca -0.02 0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.32 1naq s LEU 66 Cb -0.17 -1.91 0.02 0.00 0.03 0.00 0.00 46.19 44.16 1naq s LEU 66 CO -0.08 0.35 -0.17 -0.54 0.23 0.00 0.00 176.35 176.15 1naq s LYS 67 N -0.71 2.90 0.17 1.70 1.02 -0.67 -1.01 119.74 123.14 1naq s LYS 67 Ca 0.12 -0.90 -0.00 0.00 0.02 0.00 0.00 55.97 55.21 1naq s LYS 67 Cb -0.12 -2.66 0.00 0.00 -0.52 0.00 0.00 37.83 34.53 1naq s LYS 67 CO 0.02 -0.27 0.22 -2.37 -0.92 0.00 0.00 175.35 172.04 1naq n THR 68 N 4.61 0.00 -3.86 2.17 5.66 -1.13 -0.44 114.28 121.29 1naq n THR 68 Ca -0.20 -0.89 -0.22 0.00 -3.05 0.00 0.00 64.05 59.69 1naq n THR 68 Cb 0.49 0.53 -0.05 0.00 -1.55 0.00 0.00 70.33 69.75 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 -2.62 2.78 0.34 1.09 -4.23 -1.26 -0.98 115.64 110.76 1naq s THR 69 Ca 0.15 -1.52 0.05 0.00 -1.18 0.00 0.00 61.69 59.18 1naq s THR 69 Cb -0.00 -3.02 0.17 0.00 1.34 0.00 0.00 72.50 70.99 1naq s THR 69 CO 0.10 -0.07 1.90 1.62 -0.54 0.00 0.00 174.62 177.63 1naq h VAL 70 N 1.28 1.19 -0.01 2.29 3.04 -1.46 -1.22 116.25 121.36 1naq h VAL 70 Ca -0.43 -0.71 0.00 0.00 -1.01 0.00 0.00 66.70 64.55 1naq h VAL 70 Cb 1.26 0.89 -0.00 0.00 -2.01 0.00 0.00 31.29 31.42 1naq h VAL 70 CO 0.62 0.25 0.02 0.28 -1.01 0.00 0.00 177.57 177.73 1naq h SER 71 N 0.51 0.00 -0.01 3.17 0.02 -1.96 -2.88 113.55 112.40 1naq h SER 71 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1naq h SER 71 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1naq h SER 71 CO 0.00 0.00 -0.03 1.41 -1.14 0.00 0.00 176.83 177.08 1naq n HIS 72 N -3.45 0.00 0.37 3.45 -0.00 -0.49 -4.73 115.22 110.37 1naq n HIS 72 Ca -0.03 0.00 -0.18 0.00 -0.00 0.00 0.00 57.72 57.51 1naq n HIS 72 Cb 0.09 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 29.99 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 1.77 -1.01 -0.56 -0.41 4.15 -1.25 -1.65 115.11 116.16 1naq h GLN 73 Ca 0.00 0.07 0.11 0.00 0.77 0.00 0.00 58.65 59.60 1naq h GLN 73 Cb 0.39 0.23 -0.10 0.00 0.21 0.00 0.00 27.48 28.21 1naq h GLN 73 CO 0.00 -0.67 -0.02 0.37 -1.93 0.00 0.00 178.83 176.57 1naq h GLN 74 N -1.04 0.09 -0.28 1.69 4.15 -1.85 -1.97 115.11 115.91 1naq h GLN 74 Ca -0.08 -0.01 -0.16 0.00 0.77 0.00 0.00 58.65 59.17 1naq h GLN 74 Cb 0.85 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.51 1naq h GLN 74 CO 0.07 0.06 -0.46 0.00 -1.93 0.00 0.00 178.83 176.57 1naq h ALA 75 N 1.52 0.67 -0.09 3.38 0.00 -1.83 -1.36 119.26 121.55 1naq h ALA 75 Ca 0.29 -0.47 0.04 0.00 0.00 0.00 0.00 54.91 54.76 1naq h ALA 75 Cb 0.45 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1naq h ALA 75 CO -0.50 0.67 -0.22 1.25 0.00 0.00 0.00 179.25 180.45 1naq h LEU 76 N 0.57 -0.68 -0.74 0.00 6.46 -1.09 -1.45 115.31 118.39 1naq h LEU 76 Ca 0.03 0.11 0.05 0.00 -0.12 0.00 0.00 57.88 57.96 1naq h LEU 76 Cb 1.01 0.30 -0.05 0.00 -0.73 0.00 0.00 40.66 41.19 1naq h LEU 76 CO 0.10 -0.28 0.44 -0.07 -0.62 0.00 0.00 178.44 178.01 1naq h LEU 77 N -0.30 0.68 -0.78 2.25 4.07 -1.00 -2.14 115.31 118.10 1naq h LEU 77 Ca 0.09 0.02 -0.08 0.00 0.08 0.00 0.00 57.88 57.99 1naq h LEU 77 Cb 0.43 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 42.03 1naq h LEU 77 CO -0.27 0.44 0.08 -0.33 -1.08 0.00 0.00 178.44 177.29 1naq h GLU 78 N 0.82 1.01 -0.14 1.13 5.08 -0.89 -0.98 114.58 120.60 1naq h GLU 78 Ca 0.32 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1naq h GLU 78 Cb 0.15 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1naq h GLU 78 CO -0.16 0.94 -0.03 0.00 -1.00 0.00 0.00 179.01 178.75 1naq h LEU 80 N -0.03 1.15 -0.54 0.00 3.38 -1.26 -1.73 115.31 116.28 1naq h LEU 80 Ca 0.04 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1naq h LEU 80 Cb 0.46 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1naq h LEU 80 CO 0.01 0.83 0.16 0.50 0.09 0.00 0.00 178.44 180.04 1naq h LYS 81 N 1.36 0.84 -0.89 1.13 3.64 -1.05 -2.17 116.57 119.44 1naq h LYS 81 Ca 0.37 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1naq h LYS 81 Cb -0.16 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.50 1naq h LYS 81 CO -0.08 0.77 0.50 0.77 -2.27 0.00 0.00 179.45 179.14 1naq h SER 82 N 0.75 1.09 0.67 4.20 0.02 -0.90 -2.98 113.55 116.40 1naq h SER 82 Ca 0.17 -0.09 -0.13 0.00 -0.84 0.00 0.00 61.79 60.90 1naq h SER 82 Cb 0.28 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 1naq h SER 82 CO -0.00 0.86 -0.64 0.45 -1.14 0.00 0.00 176.83 176.36 1naq h HIS 83 N 1.23 0.00 -3.04 3.45 3.86 -1.01 -3.45 115.15 116.19 1naq h HIS 83 Ca 0.31 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 59.00 1naq h HIS 83 Cb -0.00 0.00 0.05 0.00 1.06 0.00 0.00 27.41 28.52 1naq h HIS 83 CO 0.01 0.64 0.86 -1.58 0.86 0.00 0.00 177.93 178.71 1naq s HIS 84 N -3.52 2.99 0.55 2.45 5.04 -0.84 -4.90 115.29 117.06 1naq s HIS 84 Ca -0.01 0.74 0.29 0.00 -1.54 0.00 0.00 55.06 54.54 1naq s HIS 84 Cb 0.12 -3.94 1.46 0.00 0.04 0.00 0.00 32.58 30.27 1naq s HIS 84 CO 0.76 -3.31 1.92 -1.00 -2.34 0.00 0.00 174.74 170.77 1naq h PRO 85 N 6.02 0.00 0.00 2.88 0.13 -1.87 -0.59 132.00 138.56 1naq h PRO 85 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1naq h PRO 85 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1naq h PRO 85 CO 0.86 0.00 -0.01 0.66 -0.23 0.00 0.00 178.00 179.28 1naq n TYR 86 N -4.18 0.00 -3.87 1.56 4.02 -1.26 -4.99 117.16 108.44 1naq n TYR 86 Ca 0.14 -0.75 -0.31 0.00 -0.01 0.00 0.00 57.90 56.97 1naq n TYR 86 Cb 0.81 -0.10 -0.02 0.00 -0.02 0.00 0.00 39.34 40.00 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 -1.00 -3.05 -2.81 -0.72 3.00 -0.23 -4.89 117.38 107.67 1naq n GLN 87 Ca 0.09 0.37 -0.19 0.00 -0.01 0.00 0.00 57.00 57.25 1naq n GLN 87 Cb 0.49 -5.07 -0.01 0.00 0.00 0.00 0.00 30.24 25.65 1naq n GLN 87 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1naq n THR 88 N -4.11 1.47 -1.77 5.09 -1.04 -1.26 -4.98 114.28 107.67 1naq n THR 88 Ca 0.05 -4.43 -0.41 0.00 -2.04 0.00 0.00 64.05 57.22 1naq n THR 88 Cb 0.50 -0.47 -0.00 0.00 -1.82 0.00 0.00 70.33 68.54 1naq n THR 88 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1naq n PRO 89 N -0.11 2.67 -1.63 -2.82 -0.04 -1.26 -4.88 135.00 126.92 1naq n PRO 89 Ca 0.25 0.94 -0.40 0.00 -0.04 0.00 0.00 63.50 64.25 1naq n PRO 89 Cb 0.65 -2.67 -0.04 0.00 -0.04 0.00 0.00 33.50 31.41 1naq n PRO 89 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1naq n GLU 90 N 0.51 2.01 -3.99 0.54 2.13 -1.26 -4.92 120.64 115.66 1naq n GLU 90 Ca 0.02 -2.31 -0.35 0.00 0.66 0.00 0.00 57.16 55.18 1naq n GLU 90 Cb 0.39 -3.24 -0.14 0.00 0.27 0.00 0.00 31.44 28.72 1naq n GLU 90 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1naq s LEU 91 N 3.82 2.84 -0.03 4.31 1.98 -1.26 -3.81 118.68 126.53 1naq s LEU 91 Ca 0.57 -0.40 0.01 0.00 -2.89 0.00 0.00 54.13 51.42 1naq s LEU 91 Cb 0.10 -1.71 0.02 0.00 0.66 0.00 0.00 46.19 45.25 1naq s LEU 91 CO 0.07 -0.00 -0.03 -0.76 -1.89 0.00 0.00 176.35 173.74 1naq s LEU 92 N 1.36 1.48 -0.23 -0.68 1.43 -0.71 -5.00 118.68 116.33 1naq s LEU 92 Ca 0.04 -0.08 -0.07 0.00 -1.03 0.00 0.00 54.13 53.00 1naq s LEU 92 Cb -0.14 -0.30 -0.03 0.00 0.03 0.00 0.00 46.19 45.74 1naq s LEU 92 CO -0.03 -0.04 0.06 -0.69 0.23 0.00 0.00 176.35 175.88 1naq s VAL 93 N 0.63 4.39 -0.17 -1.59 1.01 -1.26 -0.57 120.40 122.84 1naq s VAL 93 Ca -0.07 -0.15 -0.08 0.00 0.00 0.00 0.00 61.98 61.67 1naq s VAL 93 Cb -0.10 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.20 1naq s VAL 93 CO -0.01 0.37 0.12 -0.76 0.00 0.00 0.00 175.10 174.82 1naq s LEU 94 N 1.28 4.17 0.51 3.92 1.43 -0.07 -5.01 118.68 124.91 1naq s LEU 94 Ca 0.05 0.27 -0.19 0.00 -1.03 0.00 0.00 54.13 53.23 1naq s LEU 94 Cb -0.15 -2.05 -0.08 0.00 0.03 0.00 0.00 46.19 43.94 1naq s LEU 94 CO 0.03 0.25 1.02 -2.16 0.23 0.00 0.00 176.35 175.72 1naq s PRO 95 N -0.07 3.79 -0.08 1.29 0.04 -1.26 -2.89 135.00 135.82 1naq s PRO 95 Ca 0.09 1.20 0.04 0.00 0.04 0.00 0.00 61.00 62.37 1naq s PRO 95 Cb -0.11 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 32.31 1naq s PRO 95 CO 0.00 -0.42 -0.23 0.08 0.04 0.00 0.00 177.00 176.48 1naq s VAL 96 N -2.26 2.21 -0.49 -0.36 1.01 -1.26 -4.92 120.40 114.32 1naq s VAL 96 Ca 0.64 -0.99 0.22 0.00 0.00 0.00 0.00 61.98 61.85 1naq s VAL 96 Cb -0.14 -1.83 -0.25 0.00 0.00 0.00 0.00 36.38 34.16 1naq s VAL 96 CO 0.25 0.56 0.75 0.35 0.00 0.00 0.00 175.10 177.01 1naq n THR 97 N 3.23 0.05 -3.64 3.92 -2.24 -1.26 -4.93 114.28 109.41 1naq n THR 97 Ca -0.18 -0.27 -0.09 0.00 -2.27 0.00 0.00 64.05 61.23 1naq n THR 97 Cb 0.52 0.38 -0.07 0.00 -2.10 0.00 0.00 70.33 69.07 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 -3.27 -0.96 0.02 4.78 5.65 -1.26 -5.15 115.29 115.10 1naq s HIS 98 Ca 0.00 2.02 0.06 0.00 0.25 0.00 0.00 55.06 57.39 1naq s HIS 98 Cb 0.15 0.52 -0.02 0.00 -1.18 0.00 0.00 32.58 32.04 1naq s HIS 98 CO 0.87 -0.48 -0.17 0.20 -0.65 0.00 0.00 174.74 174.51 1naq s GLY 99 N 1.28 0.92 0.31 1.59 0.00 -1.26 -5.10 107.32 105.06 1naq s GLY 99 Ca -0.07 -0.88 -0.29 0.00 0.00 0.00 0.00 44.72 43.48 1naq s GLY 99 CO -0.14 -0.80 1.46 1.34 0.00 0.00 0.00 173.10 174.96 1naq n ASP 100 N 2.13 3.36 -0.04 1.64 2.03 -1.26 -4.84 116.55 119.57 1naq n ASP 100 Ca -0.17 1.18 -0.09 0.00 0.52 0.00 0.00 54.79 56.23 1naq n ASP 100 Cb 0.54 -1.54 -0.03 0.00 -0.72 0.00 0.00 41.12 39.37 1naq n ASP 100 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1naq h THR 101 N 3.01 0.96 -0.48 5.18 2.02 -1.99 -1.34 112.91 120.28 1naq h THR 101 Ca -0.47 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 66.63 1naq h THR 101 Cb 1.25 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.43 1naq h THR 101 CO 0.71 0.03 0.21 0.44 0.37 0.00 0.00 175.52 177.28 1naq h ASP 102 N 0.16 0.64 -0.83 4.18 3.32 -2.00 -1.73 116.42 120.16 1naq h ASP 102 Ca 0.08 -0.15 0.08 0.00 0.02 0.00 0.00 57.03 57.07 1naq h ASP 102 Cb 0.05 -0.17 -0.07 0.00 0.22 0.00 0.00 39.33 39.37 1naq h ASP 102 CO -0.08 0.61 0.49 0.22 -1.72 0.00 0.00 179.24 178.76 1naq h TYR 103 N 0.63 0.89 -0.61 4.55 3.20 -1.93 -1.55 116.97 122.16 1naq h TYR 103 Ca 0.16 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.99 1naq h TYR 103 Cb 0.16 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.12 1naq h TYR 103 CO -0.00 0.40 0.10 -0.07 -1.64 0.00 0.00 178.16 176.94 1naq h LEU 104 N 0.85 0.93 -0.27 2.82 3.38 -1.02 0.39 115.31 122.39 1naq h LEU 104 Ca 0.39 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 58.18 1naq h LEU 104 Cb 0.29 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1naq h LEU 104 CO -0.22 0.93 0.09 0.28 0.09 0.00 0.00 178.44 179.61 1naq h SER 105 N 0.92 0.10 0.09 -0.43 0.02 -0.56 0.33 113.55 114.03 1naq h SER 105 Ca 0.19 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.18 1naq h SER 105 Cb 0.40 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 1naq h SER 105 CO 0.01 0.09 -0.15 -0.25 -1.14 0.00 0.00 176.83 175.39 1naq h TRP 106 N 0.21 -0.38 -0.39 3.45 7.01 -1.08 0.48 115.95 125.26 1naq h TRP 106 Ca 0.12 0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.21 1naq h TRP 106 Cb 0.09 0.16 -0.08 0.00 -2.10 0.00 0.00 29.16 27.22 1naq h TRP 106 CO -0.13 -0.22 -0.18 1.25 -2.79 0.00 0.00 178.44 176.37 1naq h LEU 107 N -0.29 -0.61 -0.64 0.65 5.85 0.23 0.21 115.31 120.71 1naq h LEU 107 Ca 0.02 0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 1naq h LEU 107 Cb 0.30 0.34 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 1naq h LEU 107 CO -0.08 -0.21 0.26 0.78 -0.34 0.00 0.00 178.44 178.86 1naq h ASN 108 N -0.10 0.87 -0.76 1.25 2.35 -0.25 -2.86 115.58 116.08 1naq h ASN 108 Ca 0.19 -0.16 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 1naq h ASN 108 Cb 0.40 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.51 1naq h ASN 108 CO -0.46 0.80 0.35 0.00 -1.65 0.00 0.00 177.43 176.47 1naq h ALA 109 N 1.11 1.17 0.00 -0.83 0.00 0.93 -2.76 119.26 118.88 1naq h ALA 109 Ca 0.21 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1naq h ALA 109 Cb 0.19 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1naq h ALA 109 CO -0.02 0.62 0.00 -1.13 0.00 0.00 0.00 179.25 178.72 1naq n SER 110 N -4.31 0.00 -0.39 0.00 3.41 0.66 -5.08 113.62 107.92 1naq n SER 110 Ca 0.07 0.29 0.05 0.00 -0.26 0.00 0.00 58.87 59.02 1naq n SER 110 Cb 0.15 -0.42 0.04 0.00 -0.26 0.00 0.00 64.21 63.72 1naq n SER 110 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06