#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uk5 s SER 2 N 0.00 -0.20 0.27 1.61 0.01 -1.26 -5.18 113.70 108.96 1uk5 s SER 2 Ca 0.00 -0.52 -0.16 0.00 1.31 0.00 0.00 55.95 56.57 1uk5 s SER 2 Cb 0.00 0.60 0.01 0.00 0.21 0.00 0.00 66.02 66.84 1uk5 s SER 2 CO 0.00 -1.12 0.61 -0.94 0.41 0.00 0.00 173.24 172.20 1uk5 s SER 3 N -2.95 -0.13 0.00 2.44 1.04 -1.26 -5.04 113.70 107.80 1uk5 s SER 3 Ca 0.12 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.74 1uk5 s SER 3 Cb -0.03 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.75 1uk5 s SER 3 CO 0.05 -1.27 0.00 0.61 0.98 0.00 0.00 173.24 173.61 1uk5 n GLY 4 N -0.43 4.26 3.42 7.32 0.00 -1.26 -5.16 105.19 113.34 1uk5 n GLY 4 Ca -0.03 -1.14 0.03 0.00 0.00 0.00 0.00 46.02 44.88 1uk5 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uk5 s SER 5 N 0.00 -0.07 0.00 1.61 0.01 -1.26 -5.18 113.70 108.81 1uk5 s SER 5 Ca 0.00 0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.36 1uk5 s SER 5 Cb 0.00 1.06 0.00 0.00 0.21 0.00 0.00 66.02 67.29 1uk5 s SER 5 CO 0.00 -0.02 0.00 -0.24 0.41 0.00 0.00 173.24 173.39 1uk5 n SER 6 N 3.80 0.00 0.00 2.44 2.88 -1.26 -5.19 113.62 116.29 1uk5 n SER 6 Ca -0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 1uk5 n SER 6 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 1uk5 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uk5 n GLY 7 N -0.11 4.07 2.23 0.46 0.00 -1.26 -5.06 105.19 105.53 1uk5 n GLY 7 Ca 0.00 -1.23 -0.22 0.00 0.00 0.00 0.00 46.02 44.58 1uk5 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uk5 n ALA 8 N -1.66 2.05 -1.37 4.61 0.00 -1.26 -5.13 120.51 117.75 1uk5 n ALA 8 Ca 0.00 -3.24 -0.15 0.00 0.00 0.00 0.00 53.44 50.04 1uk5 n ALA 8 Cb 0.00 -0.87 0.17 0.00 0.00 0.00 0.00 19.45 18.75 1uk5 n ALA 8 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1uk5 n PRO 9 N 1.18 -1.78 0.00 0.00 -0.04 -1.26 -5.05 135.00 128.04 1uk5 n PRO 9 Ca 0.21 -1.42 0.00 0.00 -0.04 0.00 0.00 63.50 62.25 1uk5 n PRO 9 Cb 0.57 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.91 1uk5 n PRO 9 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1uk5 n ALA 10 N -4.01 0.00 -3.27 0.55 0.00 -1.26 -5.14 120.51 107.38 1uk5 n ALA 10 Ca -0.16 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.32 1uk5 n ALA 10 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 1uk5 n ALA 10 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1uk5 s GLU 11 N 0.00 0.25 0.00 0.00 2.56 -1.26 -5.00 118.70 115.24 1uk5 s GLU 11 Ca 0.00 0.54 0.20 0.00 0.00 0.00 0.00 54.97 55.71 1uk5 s GLU 11 Cb 0.00 0.32 1.21 0.00 2.00 0.00 0.00 34.13 37.66 1uk5 s GLU 11 CO 0.00 -0.16 1.63 -0.35 -0.56 0.00 0.00 175.26 175.82 1uk5 n PRO 12 N 5.15 0.75 -1.45 4.30 -0.04 -1.26 -4.88 135.00 137.57 1uk5 n PRO 12 Ca -0.08 0.00 -0.47 0.00 -0.04 0.00 0.00 63.50 62.92 1uk5 n PRO 12 Cb 0.53 -1.42 -0.02 0.00 -0.04 0.00 0.00 33.50 32.54 1uk5 n PRO 12 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1uk5 n ALA 13 N -0.92 -2.14 -2.65 0.55 0.00 -1.26 -4.92 120.51 109.17 1uk5 n ALA 13 Ca 0.15 0.41 -0.04 0.00 0.00 0.00 0.00 53.44 53.96 1uk5 n ALA 13 Cb 0.07 -1.72 0.08 0.00 0.00 0.00 0.00 19.45 17.88 1uk5 n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uk5 n ALA 14 N 0.00 -3.89 -1.37 0.00 0.00 -1.26 -4.96 120.51 109.04 1uk5 n ALA 14 Ca 0.15 -0.13 -0.15 0.00 0.00 0.00 0.00 53.44 53.31 1uk5 n ALA 14 Cb 0.28 -3.50 0.17 0.00 0.00 0.00 0.00 19.45 16.40 1uk5 n ALA 14 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1uk5 n PRO 15 N 1.59 -1.74 -3.19 0.00 -0.04 -1.26 -5.11 135.00 125.24 1uk5 n PRO 15 Ca 0.01 -1.39 -0.11 0.00 -0.04 0.00 0.00 63.50 61.97 1uk5 n PRO 15 Cb 0.71 -1.09 -0.04 0.00 -0.04 0.00 0.00 33.50 33.04 1uk5 n PRO 15 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1uk5 n LYS 16 N -3.49 0.27 -3.81 0.54 3.00 -1.26 -5.18 118.16 108.23 1uk5 n LYS 16 Ca 0.12 -1.78 -0.07 0.00 -0.00 0.00 0.00 58.31 56.57 1uk5 n LYS 16 Cb 0.43 1.41 -0.02 0.00 0.00 0.00 0.00 35.03 36.84 1uk5 n LYS 16 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1uk5 s SER 17 N -2.25 -0.29 0.00 3.14 0.01 -1.26 -5.09 113.70 107.96 1uk5 s SER 17 Ca 0.20 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 56.92 1uk5 s SER 17 Cb 0.01 0.71 0.00 0.00 0.21 0.00 0.00 66.02 66.95 1uk5 s SER 17 CO 0.14 -1.30 0.00 0.61 0.41 0.00 0.00 173.24 173.10 1uk5 n GLY 18 N -0.45 0.98 3.46 3.44 0.00 -1.26 -5.14 105.19 106.23 1uk5 n GLY 18 Ca -0.05 -0.31 0.09 0.00 0.00 0.00 0.00 46.02 45.75 1uk5 n GLY 18 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1uk5 n GLU 19 N 0.00 -1.39 -0.06 1.61 1.02 -1.26 -4.73 120.64 115.83 1uk5 n GLU 19 Ca 0.00 0.92 -0.05 0.00 -0.02 0.00 0.00 57.16 58.01 1uk5 n GLU 19 Cb 0.00 -1.70 0.05 0.00 -0.02 0.00 0.00 31.44 29.77 1uk5 n GLU 19 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1uk5 n ALA 20 N -1.15 -0.86 -1.44 0.62 0.00 -1.26 -4.76 120.51 111.66 1uk5 n ALA 20 Ca 0.00 -0.25 -0.51 0.00 0.00 0.00 0.00 53.44 52.68 1uk5 n ALA 20 Cb 0.31 -0.02 -0.04 0.00 0.00 0.00 0.00 19.45 19.70 1uk5 n ALA 20 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1uk5 n GLU 21 N -2.16 0.08 -4.68 0.00 -0.58 -1.26 -4.96 120.64 107.07 1uk5 n GLU 21 Ca 0.02 0.03 -0.23 0.00 -0.42 0.00 0.00 57.16 56.56 1uk5 n GLU 21 Cb 0.10 -1.19 -0.15 0.00 -0.57 0.00 0.00 31.44 29.62 1uk5 n GLU 21 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1uk5 s THR 22 N -0.70 1.17 0.98 2.62 2.01 -1.26 -5.15 115.64 115.31 1uk5 s THR 22 Ca 0.72 -0.62 -0.14 0.00 0.31 0.00 0.00 61.69 61.96 1uk5 s THR 22 Cb -1.02 -0.99 0.18 0.00 0.01 0.00 0.00 72.50 70.68 1uk5 s THR 22 CO 0.56 0.34 1.17 -2.16 -0.69 0.00 0.00 174.62 173.84 1uk5 s PRO 23 N -0.20 0.60 -0.01 4.92 0.04 -1.26 -4.99 135.00 134.10 1uk5 s PRO 23 Ca 0.03 0.09 -0.30 0.00 0.04 0.00 0.00 61.00 60.85 1uk5 s PRO 23 Cb -0.07 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 1uk5 s PRO 23 CO 0.00 -2.52 1.20 -1.25 0.04 0.00 0.00 177.00 174.47 1uk5 s PRO 24 N -5.42 4.38 0.00 0.56 0.04 -1.26 -5.01 135.00 128.29 1uk5 s PRO 24 Ca 0.67 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.42 1uk5 s PRO 24 Cb -0.12 -3.48 0.00 0.00 0.04 0.00 0.00 34.50 30.94 1uk5 s PRO 24 CO 0.54 -0.37 0.00 0.36 0.04 0.00 0.00 177.00 177.56 1uk5 n LYS 25 N 4.73 0.93 -3.94 4.56 2.85 -1.26 -5.09 118.16 120.93 1uk5 n LYS 25 Ca 0.10 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 57.00 1uk5 n LYS 25 Cb 0.46 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.77 1uk5 n LYS 25 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 1uk5 s HIS 26 N 4.26 3.48 0.14 5.58 5.65 -1.26 -5.00 115.29 128.14 1uk5 s HIS 26 Ca 0.00 0.42 -0.04 0.00 0.25 0.00 0.00 55.06 55.69 1uk5 s HIS 26 Cb 0.00 -1.96 -0.05 0.00 -1.18 0.00 0.00 32.58 29.39 1uk5 s HIS 26 CO 0.00 0.59 1.34 -1.00 -0.65 0.00 0.00 174.74 175.02 1uk5 h PRO 27 N 5.38 0.43 -0.84 2.88 0.13 -1.99 -2.83 132.00 135.17 1uk5 h PRO 27 Ca -0.51 -0.42 0.12 0.00 -0.87 0.00 0.00 66.00 64.32 1uk5 h PRO 27 Cb 1.21 0.11 -0.06 0.00 0.13 0.00 0.00 31.00 32.39 1uk5 h PRO 27 CO 0.61 1.07 0.54 0.78 -0.23 0.00 0.00 178.00 180.78 1uk5 h GLY 28 N 1.21 1.09 0.27 1.56 0.00 -1.97 -1.05 103.07 104.18 1uk5 h GLY 28 Ca -0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 1uk5 h GLY 28 CO 0.15 0.13 -0.12 -2.08 0.00 0.00 0.00 176.54 174.62 1uk5 h VAL 29 N 0.68 0.15 -1.43 4.60 2.07 -1.85 -3.22 116.25 117.26 1uk5 h VAL 29 Ca 0.41 -0.83 0.49 0.00 0.82 0.00 0.00 66.70 67.58 1uk5 h VAL 29 Cb 0.61 0.25 -0.14 0.00 -1.52 0.00 0.00 31.29 30.50 1uk5 h VAL 29 CO -0.17 0.04 0.92 0.18 0.02 0.00 0.00 177.57 178.57 1uk5 n LEU 30 N -4.99 0.20 -0.47 2.57 4.77 -1.03 0.20 117.00 118.26 1uk5 n LEU 30 Ca -0.05 1.37 0.38 0.00 -0.03 0.00 0.00 56.01 57.68 1uk5 n LEU 30 Cb 0.16 -0.67 0.67 0.00 -2.33 0.00 0.00 43.42 41.25 1uk5 n LEU 30 CO 0.13 -1.48 1.27 0.50 -1.33 0.00 0.00 177.39 176.47 1uk5 h LYS 31 N 0.00 0.08 0.13 3.23 3.64 -1.20 1.17 116.57 123.61 1uk5 h LYS 31 Ca 0.89 -0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 60.01 1uk5 h LYS 31 Cb 2.91 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 34.72 1uk5 h LYS 31 CO -0.44 0.05 -1.28 -0.39 -2.27 0.00 0.00 179.45 175.12 1uk5 h VAL 32 N 0.08 1.15 -0.81 2.00 -1.51 0.22 -3.30 116.25 114.08 1uk5 h VAL 32 Ca 0.82 -2.45 0.17 0.00 -1.23 0.00 0.00 66.70 64.01 1uk5 h VAL 32 Cb 2.67 2.84 -0.05 0.00 -2.13 0.00 0.00 31.29 34.62 1uk5 h VAL 32 CO -0.35 0.71 0.54 -0.33 -1.23 0.00 0.00 177.57 176.91 1uk5 h GLU 33 N -0.29 0.38 -0.22 5.19 5.08 0.12 0.80 114.58 125.63 1uk5 h GLU 33 Ca -0.26 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.00 1uk5 h GLU 33 Cb 1.76 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.91 1uk5 h GLU 33 CO 0.09 0.25 -0.17 0.00 -1.00 0.00 0.00 179.01 178.18 1uk5 h ALA 34 N 1.63 1.30 0.00 3.43 0.00 0.03 -1.76 119.26 123.89 1uk5 h ALA 34 Ca 0.40 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1uk5 h ALA 34 Cb 0.99 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1uk5 h ALA 34 CO -0.13 0.47 -0.13 0.82 0.00 0.00 0.00 179.25 180.28 1uk5 h ILE 35 N 0.35 0.88 -1.17 0.00 2.04 -0.00 -3.31 117.51 116.30 1uk5 h ILE 35 Ca 0.06 -1.70 0.39 0.00 1.00 0.00 0.00 64.86 64.61 1uk5 h ILE 35 Cb 0.51 1.71 -0.14 0.00 -0.74 0.00 0.00 36.82 38.16 1uk5 h ILE 35 CO 0.03 0.30 0.72 -0.07 0.00 0.00 0.00 178.15 179.13 1uk5 h LEU 36 N -1.00 0.34 -0.95 1.44 3.38 0.32 1.02 115.31 119.87 1uk5 h LEU 36 Ca -0.03 0.16 0.27 0.00 0.09 0.00 0.00 57.88 58.38 1uk5 h LEU 36 Cb 0.58 0.14 -0.14 0.00 0.09 0.00 0.00 40.66 41.33 1uk5 h LEU 36 CO -0.02 -0.18 0.43 -0.33 0.09 0.00 0.00 178.44 178.43 1uk5 h GLU 37 N 0.16 0.30 -0.04 1.13 5.08 -1.40 0.32 114.58 120.13 1uk5 h GLU 37 Ca 0.78 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 59.11 1uk5 h GLU 37 Cb 2.20 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 31.38 1uk5 h GLU 37 CO -0.50 0.20 -0.04 0.87 -1.00 0.00 0.00 179.01 178.54 1uk5 h LYS 38 N 0.31 0.10 -1.10 2.33 6.56 0.93 -2.94 116.57 122.75 1uk5 h LYS 38 Ca 0.64 -0.05 0.33 0.00 -1.06 0.00 0.00 60.65 60.51 1uk5 h LYS 38 Cb 1.36 0.00 -0.12 0.00 -0.57 0.00 0.00 32.23 32.90 1uk5 h LYS 38 CO -0.61 0.54 0.69 0.28 -2.06 0.00 0.00 179.45 178.29 1uk5 h VAL 39 N -0.35 0.35 -0.53 0.50 2.07 -0.31 1.82 116.25 119.80 1uk5 h VAL 39 Ca 0.01 -0.10 0.11 0.00 0.82 0.00 0.00 66.70 67.54 1uk5 h VAL 39 Cb 0.52 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 1uk5 h VAL 39 CO 0.01 0.05 0.36 1.56 0.02 0.00 0.00 177.57 179.58 1uk5 h GLN 40 N 0.30 0.20 0.00 1.57 1.08 -0.87 1.75 115.11 119.15 1uk5 h GLN 40 Ca 0.70 -0.01 -0.12 0.00 -1.45 0.00 0.00 58.65 57.77 1uk5 h GLN 40 Cb 1.83 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 29.20 1uk5 h GLN 40 CO -0.43 0.13 -0.57 0.78 -0.95 0.00 0.00 178.83 177.80 1uk5 h GLY 41 N 0.21 0.00 0.86 3.46 0.00 0.27 -2.04 103.07 105.83 1uk5 h GLY 41 Ca 0.25 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.27 1uk5 h GLY 41 CO -0.04 0.00 -1.80 1.04 0.00 0.00 0.00 176.54 175.74 1uk5 n LEU 42 N -3.53 0.92 -0.14 3.11 7.99 0.86 -3.14 117.00 123.07 1uk5 n LEU 42 Ca -0.00 0.36 -0.11 0.00 -0.01 0.00 0.00 56.01 56.25 1uk5 n LEU 42 Cb 0.65 0.11 -0.02 0.00 -0.11 0.00 0.00 43.42 44.05 1uk5 n LEU 42 CO 0.41 0.43 0.77 -0.08 -1.51 0.00 0.00 177.39 177.41 1uk5 h GLU 43 N 0.00 0.71 0.00 3.23 4.22 0.25 0.16 114.58 123.15 1uk5 h GLU 43 Ca -0.32 -0.24 -0.11 0.00 0.08 0.00 0.00 59.36 58.77 1uk5 h GLU 43 Cb 2.04 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 31.21 1uk5 h GLU 43 CO 0.07 0.82 -0.52 1.96 -2.18 0.00 0.00 179.01 179.16 1uk5 h GLN 44 N 0.54 0.00 -0.03 1.92 1.08 -1.52 -2.02 115.11 115.08 1uk5 h GLN 44 Ca 0.11 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.28 1uk5 h GLN 44 Cb 0.51 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 1uk5 h GLN 44 CO 0.02 0.52 -0.08 0.00 -0.95 0.00 0.00 178.83 178.34 1uk5 h ALA 45 N 1.48 0.04 0.59 3.87 0.00 -1.44 -2.65 119.26 121.17 1uk5 h ALA 45 Ca -0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1uk5 h ALA 45 Cb 0.98 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1uk5 h ALA 45 CO 0.07 -0.08 -0.48 0.28 0.00 0.00 0.00 179.25 179.03 1uk5 h VAL 46 N -0.48 0.05 -1.20 0.00 2.07 -0.65 1.20 116.25 117.25 1uk5 h VAL 46 Ca -0.00 0.00 0.35 0.00 0.82 0.00 0.00 66.70 67.87 1uk5 h VAL 46 Cb 0.71 0.05 -0.10 0.00 -1.52 0.00 0.00 31.29 30.42 1uk5 h VAL 46 CO 0.02 0.00 0.79 -0.78 0.02 0.00 0.00 177.57 177.61 1uk5 h ASP 47 N -1.05 0.30 -1.42 0.57 3.58 -1.46 0.35 116.42 117.28 1uk5 h ASP 47 Ca -0.07 0.09 -0.57 0.00 0.42 0.00 0.00 57.03 56.90 1uk5 h ASP 47 Cb 0.89 0.06 -0.42 0.00 1.72 0.00 0.00 39.33 41.57 1uk5 h ASP 47 CO -0.00 -0.04 -0.76 -0.24 -2.88 0.00 0.00 179.24 175.32 1uk5 n SER 48 N -4.59 4.58 -4.80 2.28 2.88 -0.35 -5.05 113.62 108.57 1uk5 n SER 48 Ca 0.31 -3.67 -0.22 0.00 -1.33 0.00 0.00 58.87 53.96 1uk5 n SER 48 Cb 1.18 -0.45 -0.05 0.00 -0.75 0.00 0.00 64.21 64.14 1uk5 n SER 48 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1uk5 s PHE 49 N -3.53 2.90 -0.23 0.66 5.36 0.40 -4.81 117.98 118.73 1uk5 s PHE 49 Ca 0.47 -0.26 -0.15 0.00 -0.96 0.00 0.00 56.93 56.04 1uk5 s PHE 49 Cb 0.40 -1.58 0.07 0.00 -0.34 0.00 0.00 43.02 41.57 1uk5 s PHE 49 CO -0.16 0.36 0.58 -2.00 -1.46 0.00 0.00 175.22 172.54 1uk5 s GLU 50 N -3.88 0.60 0.00 10.12 2.12 -1.26 -4.88 118.70 121.51 1uk5 s GLU 50 Ca 0.37 0.98 0.00 0.00 0.36 0.00 0.00 54.97 56.68 1uk5 s GLU 50 Cb -0.06 0.14 0.00 0.00 0.26 0.00 0.00 34.13 34.47 1uk5 s GLU 50 CO 0.25 -0.13 0.00 0.41 -0.54 0.00 0.00 175.26 175.24 1uk5 n GLY 51 N 3.90 -0.13 0.49 -1.50 0.00 -1.26 -4.90 105.19 101.78 1uk5 n GLY 51 Ca -0.19 -0.47 -0.02 0.00 0.00 0.00 0.00 46.02 45.34 1uk5 n GLY 51 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1uk5 n LYS 52 N 0.00 0.13 -0.06 1.61 0.00 -1.25 -4.40 118.16 114.19 1uk5 n LYS 52 Ca 0.00 -0.34 0.12 0.00 -0.00 0.00 0.00 58.31 58.08 1uk5 n LYS 52 Cb 0.00 0.38 0.40 0.00 -0.00 0.00 0.00 35.03 35.81 1uk5 n LYS 52 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1uk5 n LYS 53 N -0.08 1.78 -0.00 -1.58 5.02 -1.26 -3.62 118.16 118.42 1uk5 n LYS 53 Ca -0.01 -1.16 0.03 0.00 -2.02 0.00 0.00 58.31 55.15 1uk5 n LYS 53 Cb 0.08 -1.43 -0.05 0.00 -0.02 0.00 0.00 35.03 33.61 1uk5 n LYS 53 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1uk5 n THR 54 N 0.39 0.00 -0.88 -0.18 -2.24 -1.26 -4.94 114.28 105.17 1uk5 n THR 54 Ca 0.17 -0.17 -0.31 0.00 -2.27 0.00 0.00 64.05 61.48 1uk5 n THR 54 Cb 0.36 0.41 0.14 0.00 -2.10 0.00 0.00 70.33 69.15 1uk5 n THR 54 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1uk5 s ASP 55 N -2.64 3.42 -0.08 3.42 1.01 -1.24 -4.97 116.67 115.60 1uk5 s ASP 55 Ca -0.02 2.08 -0.20 0.00 0.71 0.00 0.00 52.55 55.12 1uk5 s ASP 55 Cb 0.04 -2.55 -0.16 0.00 1.01 0.00 0.00 42.92 41.26 1uk5 s ASP 55 CO 0.27 -2.77 0.75 0.50 0.21 0.00 0.00 175.17 174.13 1uk5 h LYS 56 N -1.63 -0.13 -0.98 8.23 1.63 -1.96 -3.18 116.57 118.56 1uk5 h LYS 56 Ca -0.43 0.01 0.26 0.00 -0.85 0.00 0.00 60.65 59.64 1uk5 h LYS 56 Cb 1.26 0.03 -0.18 0.00 -0.60 0.00 0.00 32.23 32.73 1uk5 h LYS 56 CO 0.45 0.37 0.00 -0.22 -3.45 0.00 0.00 179.45 176.60 1uk5 h LYS 57 N -0.89 0.01 -0.49 1.90 3.64 -1.94 1.19 116.57 119.99 1uk5 h LYS 57 Ca -0.01 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.44 1uk5 h LYS 57 Cb 0.56 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.31 1uk5 h LYS 57 CO 0.02 0.01 0.15 -0.92 -2.27 0.00 0.00 179.45 176.44 1uk5 h TYR 58 N 0.01 0.26 -0.42 1.91 3.20 -1.80 0.52 116.97 120.64 1uk5 h TYR 58 Ca 0.58 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.48 1uk5 h TYR 58 Cb 1.17 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.38 1uk5 h TYR 58 CO -0.52 0.07 0.27 -0.07 -1.64 0.00 0.00 178.16 176.26 1uk5 h LEU 59 N 0.31 0.49 -0.15 2.82 3.38 0.14 0.19 115.31 122.49 1uk5 h LEU 59 Ca 0.24 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1uk5 h LEU 59 Cb 0.27 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1uk5 h LEU 59 CO -0.26 0.37 0.10 -0.03 0.09 0.00 0.00 178.44 178.70 1uk5 h MET 60 N 0.58 0.20 -0.33 1.13 4.05 0.86 -0.55 114.93 120.88 1uk5 h MET 60 Ca 0.15 -0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.50 1uk5 h MET 60 Cb -0.04 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.70 1uk5 h MET 60 CO -0.03 0.15 -0.02 0.82 0.23 0.00 0.00 176.91 178.05 1uk5 h ILE 61 N 0.20 1.26 0.03 1.77 2.04 -0.71 -2.98 117.51 119.12 1uk5 h ILE 61 Ca 0.06 -1.01 0.01 0.00 1.00 0.00 0.00 64.86 64.91 1uk5 h ILE 61 Cb -0.01 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 1uk5 h ILE 61 CO -0.01 0.33 -0.21 -0.08 0.00 0.00 0.00 178.15 178.18 1uk5 h GLU 62 N 0.39 -0.27 -0.92 2.37 4.22 -0.72 0.21 114.58 119.86 1uk5 h GLU 62 Ca 0.09 0.02 0.09 0.00 0.08 0.00 0.00 59.36 59.64 1uk5 h GLU 62 Cb 0.48 0.06 -0.12 0.00 0.50 0.00 0.00 28.75 29.68 1uk5 h GLU 62 CO 0.02 -0.18 -0.51 0.39 -2.18 0.00 0.00 179.01 176.55 1uk5 n GLU 63 N -3.63 -0.37 0.12 1.92 4.71 -0.24 -0.83 120.64 122.32 1uk5 n GLU 63 Ca -0.03 1.39 -0.14 0.00 -0.01 0.00 0.00 57.16 58.37 1uk5 n GLU 63 Cb 0.16 -2.05 -0.08 0.00 -1.01 0.00 0.00 31.44 28.46 1uk5 n GLU 63 CO 0.00 0.00 0.00 1.88 0.09 0.00 0.00 177.13 179.10 1uk5 h TYR 64 N 0.00 -1.30 -0.58 -0.32 0.05 -1.31 1.52 116.97 115.04 1uk5 h TYR 64 Ca 0.18 0.03 0.05 0.00 0.05 0.00 0.00 58.73 59.04 1uk5 h TYR 64 Cb 0.41 0.55 -0.07 0.00 1.01 0.00 0.00 36.73 38.62 1uk5 h TYR 64 CO -0.92 -0.52 -0.34 1.28 -1.05 0.00 0.00 178.16 176.61 1uk5 n LEU 65 N -5.03 -0.62 -0.06 3.88 4.77 0.69 -0.28 117.00 120.36 1uk5 n LEU 65 Ca -0.08 1.42 -0.08 0.00 -0.03 0.00 0.00 56.01 57.25 1uk5 n LEU 65 Cb 0.36 -0.33 -0.01 0.00 -2.33 0.00 0.00 43.42 41.11 1uk5 n LEU 65 CO 0.15 -1.04 0.92 0.74 -1.33 0.00 0.00 177.39 176.82 1uk5 h THR 66 N 0.00 0.93 -0.99 -5.08 2.02 -0.70 -2.11 112.91 106.98 1uk5 h THR 66 Ca 0.09 -0.07 0.23 0.00 0.77 0.00 0.00 66.41 67.43 1uk5 h THR 66 Cb 0.24 0.72 -0.19 0.00 -1.74 0.00 0.00 68.15 67.18 1uk5 h THR 66 CO -0.55 0.04 -0.14 0.29 0.37 0.00 0.00 175.52 175.53 1uk5 n LYS 67 N -5.04 -0.09 -0.20 6.66 5.02 0.52 0.20 118.16 125.23 1uk5 n LYS 67 Ca -0.01 1.52 -0.08 0.00 -2.02 0.00 0.00 58.31 57.72 1uk5 n LYS 67 Cb 0.09 -2.33 0.02 0.00 -0.02 0.00 0.00 35.03 32.79 1uk5 n LYS 67 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1uk5 h GLU 68 N 0.00 0.89 0.12 1.97 4.39 -0.17 -2.71 114.58 119.07 1uk5 h GLU 68 Ca 0.53 -0.19 0.02 0.00 0.34 0.00 0.00 59.36 60.05 1uk5 h GLU 68 Cb 0.93 -0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 29.40 1uk5 h GLU 68 CO -0.99 0.80 -0.44 -0.07 -1.16 0.00 0.00 179.01 177.15 1uk5 h LEU 69 N 0.80 -1.31 -1.09 1.33 3.38 0.27 0.92 115.31 119.61 1uk5 h LEU 69 Ca 0.18 0.14 0.28 0.00 0.09 0.00 0.00 57.88 58.58 1uk5 h LEU 69 Cb 0.28 0.49 -0.12 0.00 0.09 0.00 0.00 40.66 41.39 1uk5 h LEU 69 CO -0.01 -0.51 0.62 -0.07 0.09 0.00 0.00 178.44 178.56 1uk5 h LEU 70 N -0.68 0.57 -0.55 1.67 -0.00 -0.78 1.54 115.31 117.09 1uk5 h LEU 70 Ca 0.02 0.14 -0.16 0.00 -0.00 0.00 0.00 57.88 57.88 1uk5 h LEU 70 Cb 0.70 0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 41.41 1uk5 h LEU 70 CO -0.25 0.03 -0.68 0.00 -0.00 0.00 0.00 178.44 177.54 1uk5 h ALA 71 N 1.73 0.75 -0.05 1.53 0.00 -0.58 0.35 119.26 123.00 1uk5 h ALA 71 Ca 0.67 -0.59 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1uk5 h ALA 71 Cb 1.46 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1uk5 h ALA 71 CO -0.47 0.78 -0.22 -0.07 0.00 0.00 0.00 179.25 179.26 1uk5 h LEU 72 N 0.17 0.08 0.00 0.00 3.38 0.94 -1.80 115.31 118.07 1uk5 h LEU 72 Ca -0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1uk5 h LEU 72 Cb 1.21 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1uk5 h LEU 72 CO 0.10 0.31 -1.28 -0.67 0.09 0.00 0.00 178.44 176.99 1uk5 n ASP 73 N -4.24 0.53 -0.32 -0.43 2.03 0.45 -4.09 116.55 110.48 1uk5 n ASP 73 Ca -0.02 -0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.25 1uk5 n ASP 73 Cb 0.30 1.01 0.09 0.00 -0.72 0.00 0.00 41.12 41.81 1uk5 n ASP 73 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1uk5 h SER 74 N 0.00 1.11 -4.00 1.67 0.87 0.57 -3.43 113.55 110.35 1uk5 h SER 74 Ca 0.00 -0.11 -0.54 0.00 -1.23 0.00 0.00 61.79 59.91 1uk5 h SER 74 Cb 0.88 -0.28 0.12 0.00 -0.44 0.00 0.00 62.40 62.67 1uk5 h SER 74 CO 0.00 0.90 0.65 0.68 -0.53 0.00 0.00 176.83 178.54 1uk5 s VAL 75 N -5.79 2.21 -0.24 2.23 -7.23 -1.09 -4.99 120.40 105.50 1uk5 s VAL 75 Ca -0.12 0.17 -0.04 0.00 -1.81 0.00 0.00 61.98 60.18 1uk5 s VAL 75 Cb 0.17 -3.10 0.00 0.00 0.56 0.00 0.00 36.38 34.01 1uk5 s VAL 75 CO 0.83 0.02 -0.03 -1.81 -0.31 0.00 0.00 175.10 173.79 1uk5 s ASP 76 N -0.70 4.39 0.49 4.85 1.01 -1.26 -4.97 116.67 120.48 1uk5 s ASP 76 Ca 0.63 -0.55 0.28 0.00 0.71 0.00 0.00 52.55 53.62 1uk5 s ASP 76 Cb -0.41 -1.74 0.84 0.00 1.01 0.00 0.00 42.92 42.62 1uk5 s ASP 76 CO 0.52 -0.07 1.79 1.55 0.21 0.00 0.00 175.17 179.17 1uk5 h PRO 77 N 8.10 0.00 0.00 8.23 0.13 -1.93 -3.47 132.00 143.07 1uk5 h PRO 77 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1uk5 h PRO 77 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1uk5 h PRO 77 CO 0.60 0.03 0.00 0.39 -0.23 0.00 0.00 178.00 178.78 1uk5 n GLU 78 N -3.11 0.00 -1.10 0.86 1.02 -1.26 -2.55 120.64 114.49 1uk5 n GLU 78 Ca 0.02 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.15 1uk5 n GLU 78 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.85 1uk5 n GLU 78 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1uk5 n GLY 79 N 0.00 -0.15 3.59 0.62 0.00 -1.26 -5.15 105.19 102.84 1uk5 n GLY 79 Ca 0.00 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 1uk5 n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uk5 s ARG 80 N 0.01 2.11 -0.21 1.61 3.00 -1.06 -5.05 118.95 119.37 1uk5 s ARG 80 Ca 0.01 -1.42 -0.06 0.00 0.00 0.00 0.00 55.73 54.26 1uk5 s ARG 80 Cb 0.05 -2.10 -0.20 0.00 0.00 0.00 0.00 34.95 32.70 1uk5 s ARG 80 CO -0.01 0.38 0.01 0.00 0.00 0.00 0.00 175.30 175.68 1uk5 n ALA 81 N -0.51 1.13 -0.31 2.13 0.00 -1.26 -3.32 120.51 118.37 1uk5 n ALA 81 Ca -0.08 -0.85 0.09 0.00 0.00 0.00 0.00 53.44 52.60 1uk5 n ALA 81 Cb 0.58 -0.32 0.26 0.00 0.00 0.00 0.00 19.45 19.97 1uk5 n ALA 81 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1uk5 h ASP 82 N -0.25 0.54 0.31 0.00 5.19 -1.98 1.59 116.42 121.82 1uk5 h ASP 82 Ca -0.52 0.10 -0.02 0.00 -0.62 0.00 0.00 57.03 55.98 1uk5 h ASP 82 Cb 1.83 0.02 0.00 0.00 0.18 0.00 0.00 39.33 41.36 1uk5 h ASP 82 CO -0.10 0.19 -0.15 0.58 -3.12 0.00 0.00 179.24 176.65 1uk5 h VAL 83 N 0.61 0.58 -0.54 -1.35 2.07 -1.88 -3.02 116.25 112.71 1uk5 h VAL 83 Ca 0.50 -0.74 0.10 0.00 0.82 0.00 0.00 66.70 67.38 1uk5 h VAL 83 Cb 0.77 0.89 -0.08 0.00 -1.52 0.00 0.00 31.29 31.36 1uk5 h VAL 83 CO -0.39 0.12 0.11 0.03 0.02 0.00 0.00 177.57 177.46 1uk5 h ARG 84 N -0.89 0.24 -0.47 1.57 3.08 -1.31 0.31 114.38 116.91 1uk5 h ARG 84 Ca -0.04 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.04 1uk5 h ARG 84 Cb 0.52 -0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.44 1uk5 h ARG 84 CO 0.07 0.16 -0.46 0.37 -1.07 0.00 0.00 179.97 179.04 1uk5 h GLN 85 N 0.25 -0.23 -0.10 0.04 4.15 0.22 1.71 115.11 121.16 1uk5 h GLN 85 Ca 0.28 0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.71 1uk5 h GLN 85 Cb 0.39 0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.12 1uk5 h GLN 85 CO -0.36 -0.15 0.06 0.00 -1.93 0.00 0.00 178.83 176.45 1uk5 h ALA 86 N -0.14 0.13 0.00 3.38 0.00 -1.30 1.41 119.26 122.73 1uk5 h ALA 86 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1uk5 h ALA 86 Cb 0.44 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1uk5 h ALA 86 CO -0.56 -0.34 0.15 -0.09 0.00 0.00 0.00 179.25 178.40 1uk5 h ARG 87 N 0.08 0.00 0.00 0.00 2.43 0.95 0.29 114.38 118.13 1uk5 h ARG 87 Ca 0.04 0.00 -0.37 0.00 -0.81 0.00 0.00 59.98 58.84 1uk5 h ARG 87 Cb 0.06 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.54 1uk5 h ARG 87 CO -0.01 0.00 -2.39 -2.13 -1.51 0.00 0.00 179.97 173.93 1uk5 n ARG 88 N -2.75 0.71 0.18 0.20 0.63 0.57 -4.14 116.66 112.05 1uk5 n ARG 88 Ca -0.02 0.07 -0.07 0.00 -0.92 0.00 0.00 57.85 56.91 1uk5 n ARG 88 Cb 0.20 -1.50 -0.04 0.00 0.45 0.00 0.00 32.46 31.57 1uk5 n ARG 88 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 1uk5 h ASP 89 N 0.00 -0.41 -1.50 6.15 1.82 0.36 -1.70 116.42 121.15 1uk5 h ASP 89 Ca -0.55 0.01 0.44 0.00 -0.39 0.00 0.00 57.03 56.55 1uk5 h ASP 89 Cb 2.03 0.11 -0.08 0.00 0.68 0.00 0.00 39.33 42.06 1uk5 h ASP 89 CO -0.03 -0.17 1.05 1.23 -1.61 0.00 0.00 179.24 179.71 1uk5 h GLY 90 N -0.73 0.38 0.46 -0.78 0.00 -0.75 0.64 103.07 102.29 1uk5 h GLY 90 Ca -0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1uk5 h GLY 90 CO 0.08 -0.10 -0.06 -2.08 0.00 0.00 0.00 176.54 174.38 1uk5 h VAL 91 N 0.05 1.07 -0.09 4.60 2.07 -1.69 -2.87 116.25 119.38 1uk5 h VAL 91 Ca 0.76 -1.09 0.03 0.00 0.82 0.00 0.00 66.70 67.22 1uk5 h VAL 91 Cb 2.84 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 34.32 1uk5 h VAL 91 CO -0.12 0.25 0.12 0.03 0.02 0.00 0.00 177.57 177.87 1uk5 h ARG 92 N -0.71 0.00 0.27 1.57 3.08 0.11 -1.98 114.38 116.72 1uk5 h ARG 92 Ca -0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1uk5 h ARG 92 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1uk5 h ARG 92 CO 0.03 0.00 -0.13 -0.22 -1.07 0.00 0.00 179.97 178.58 1uk5 h LYS 93 N 0.00 -0.34 -0.65 0.04 1.63 -0.68 -2.38 116.57 114.18 1uk5 h LYS 93 Ca 0.04 0.02 0.13 0.00 -0.85 0.00 0.00 60.65 59.99 1uk5 h LYS 93 Cb 0.29 0.08 -0.12 0.00 -0.60 0.00 0.00 32.23 31.87 1uk5 h LYS 93 CO -0.00 -0.23 -0.22 0.28 -3.45 0.00 0.00 179.45 175.83 1uk5 h VAL 94 N -0.46 0.27 -0.81 2.00 2.07 -1.26 0.22 116.25 118.28 1uk5 h VAL 94 Ca -0.04 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.64 1uk5 h VAL 94 Cb 0.27 0.27 -0.15 0.00 -1.52 0.00 0.00 31.29 30.16 1uk5 h VAL 94 CO 0.06 0.00 -0.22 1.56 0.02 0.00 0.00 177.57 178.99 1uk5 h GLN 95 N -0.05 -0.01 -0.29 1.57 4.20 -1.39 1.58 115.11 120.71 1uk5 h GLN 95 Ca 0.30 0.00 0.03 0.00 0.06 0.00 0.00 58.65 59.04 1uk5 h GLN 95 Cb 0.52 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 1uk5 h GLN 95 CO -0.70 -0.01 0.20 1.15 -0.67 0.00 0.00 178.83 178.80 1uk5 h THR 96 N -0.01 0.99 -0.30 -0.54 2.02 -0.05 0.17 112.91 115.19 1uk5 h THR 96 Ca 0.38 -0.09 -0.19 0.00 0.77 0.00 0.00 66.41 67.29 1uk5 h THR 96 Cb 0.59 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1uk5 h THR 96 CO -0.83 0.05 -0.54 0.40 0.37 0.00 0.00 175.52 174.96 1uk5 h ILE 97 N 0.25 1.27 -0.10 3.11 2.04 0.28 -1.97 117.51 122.39 1uk5 h ILE 97 Ca 0.12 -1.72 -0.01 0.00 1.00 0.00 0.00 64.86 64.26 1uk5 h ILE 97 Cb 0.18 1.61 -0.00 0.00 -0.74 0.00 0.00 36.82 37.86 1uk5 h ILE 97 CO -0.02 0.56 0.04 -0.07 0.00 0.00 0.00 178.15 178.66 1uk5 h LEU 98 N 0.68 0.13 -2.54 1.44 -0.00 0.92 1.54 115.31 117.49 1uk5 h LEU 98 Ca 0.02 -0.16 -0.00 0.00 -0.00 0.00 0.00 57.88 57.74 1uk5 h LEU 98 Cb 1.15 -0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 41.78 1uk5 h LEU 98 CO 0.12 0.25 -0.02 -0.08 -0.00 0.00 0.00 178.44 178.72 1uk5 h GLU 99 N 0.01 0.00 0.02 1.13 4.81 -1.01 -2.44 114.58 117.09 1uk5 h GLU 99 Ca 0.03 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 59.01 1uk5 h GLU 99 Cb 0.16 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 1uk5 h GLU 99 CO -0.00 0.02 -1.37 -0.22 -0.73 0.00 0.00 179.01 176.70 1uk5 h LYS 100 N 0.00 0.04 -0.82 1.92 3.64 -0.50 -3.34 116.57 117.50 1uk5 h LYS 100 Ca -0.00 -0.06 0.12 0.00 -1.27 0.00 0.00 60.65 59.44 1uk5 h LYS 100 Cb 0.12 0.02 -0.13 0.00 -0.41 0.00 0.00 32.23 31.84 1uk5 h LYS 100 CO 0.00 1.03 -0.44 1.25 -2.27 0.00 0.00 179.45 179.03 1uk5 h LEU 101 N -0.86 -1.56 0.00 5.20 6.46 0.26 0.24 115.31 125.04 1uk5 h LEU 101 Ca -0.36 0.29 0.00 0.00 -0.12 0.00 0.00 57.88 57.68 1uk5 h LEU 101 Cb 1.40 0.75 0.00 0.00 -0.73 0.00 0.00 40.66 42.09 1uk5 h LEU 101 CO -0.17 -0.30 0.00 -0.62 -0.62 0.00 0.00 178.44 176.73 1uk5 n GLU 102 N -5.41 0.00 -0.34 1.25 1.02 -0.96 -0.17 120.64 116.03 1uk5 n GLU 102 Ca 0.05 0.67 0.17 0.00 -0.02 0.00 0.00 57.16 58.03 1uk5 n GLU 102 Cb 0.35 -1.33 0.33 0.00 -0.02 0.00 0.00 31.44 30.77 1uk5 n GLU 102 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1uk5 n GLN 103 N -2.06 -0.08 -0.11 3.49 6.02 -0.80 0.18 117.38 124.02 1uk5 n GLN 103 Ca 0.00 1.47 -0.05 0.00 -0.01 0.00 0.00 57.00 58.41 1uk5 n GLN 103 Cb 0.00 -2.38 0.02 0.00 1.02 0.00 0.00 30.24 28.90 1uk5 n GLN 103 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1uk5 h LYS 104 N 0.00 0.16 -0.58 -1.09 1.79 0.79 1.38 116.57 119.02 1uk5 h LYS 104 Ca 0.64 -0.01 -0.09 0.00 -2.18 0.00 0.00 60.65 59.00 1uk5 h LYS 104 Cb 1.39 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.98 1uk5 h LYS 104 CO -0.91 0.11 -0.01 0.00 -1.08 0.00 0.00 179.45 177.55 1uk5 h ALA 105 N 1.30 0.88 -0.03 3.86 0.00 0.53 -1.30 119.26 124.50 1uk5 h ALA 105 Ca 0.18 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1uk5 h ALA 105 Cb 0.23 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1uk5 h ALA 105 CO -0.26 0.66 0.00 0.45 0.00 0.00 0.00 179.25 180.09 1uk5 n SER 106 N -4.18 0.33 -2.16 0.00 2.88 0.19 -3.83 113.62 106.85 1uk5 n SER 106 Ca 0.03 -1.50 0.00 0.00 -1.33 0.00 0.00 58.87 56.06 1uk5 n SER 106 Cb 0.35 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 1uk5 n SER 106 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uk5 n GLY 107 N 0.84 1.12 2.93 0.46 0.00 0.46 -4.98 105.19 106.02 1uk5 n GLY 107 Ca 0.14 -1.57 -0.24 0.00 0.00 0.00 0.00 46.02 44.35 1uk5 n GLY 107 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uk5 n PRO 108 N 0.00 -1.87 -2.94 1.61 -0.04 -1.26 -5.03 135.00 125.47 1uk5 n PRO 108 Ca 0.00 -1.52 0.00 0.00 -0.04 0.00 0.00 63.50 61.95 1uk5 n PRO 108 Cb 0.00 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 1uk5 n PRO 108 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1uk5 s SER 109 N -4.37 -0.98 -0.55 3.54 0.01 -1.26 -4.66 113.70 105.43 1uk5 s SER 109 Ca 0.58 -0.65 0.04 0.00 1.31 0.00 0.00 55.95 57.23 1uk5 s SER 109 Cb -0.04 1.26 0.17 0.00 0.21 0.00 0.00 66.02 67.63 1uk5 s SER 109 CO 0.43 -0.09 0.41 -0.55 0.41 0.00 0.00 173.24 173.85 1uk5 s SER 110 N 1.67 3.03 0.00 2.44 0.15 -1.26 -5.13 113.70 114.59 1uk5 s SER 110 Ca 0.18 -3.44 0.07 0.00 0.70 0.00 0.00 55.95 53.46 1uk5 s SER 110 Cb 0.01 -1.00 0.06 0.00 -1.71 0.00 0.00 66.02 63.37 1uk5 s SER 110 CO -0.10 -0.13 0.72 0.61 1.20 0.00 0.00 173.24 175.55